*HEADER    UNKNOWN FUNCTION                        31-JAN-01   1I17              
*TITLE     NMR STRUCTURE OF MOUSE DOPPEL 51-157                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PRION-LIKE PROTEIN;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: GLOBULAR DOMAIN (RESIDUES 51-157);                         
*COMPND   5 SYNONYM: MOUSE DOPPEL;                                               
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET21A(+)                                 
*KEYWDS    MOUSE DOPPEL, DOPPEL, DPL, PRION                                      
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    H.MO, R.C.MOORE, F.E.COHEN, D.WESTAWAY, S.B.PRUSINER,                 
*AUTHOR   2 P.E.WRIGHT, H.J.DYSON                                                
*REVDAT   1   07-MAR-01 1I17    0                                                
#
#  52 VAL HN 52 VAL HB 2.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  28,  32, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#  52 VAL QQG 55 ASN HN 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  69, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  34,  35,  36,  38,  39,  40,
 &end
#
#  53 ALA QB 55 ASN HN 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  69, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  48,  49,  50,
 &end
#
#  53 ALA QB 56 ARG HN 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  48,  49,  50,
 &end
#
#  54 GLU HN 54 GLU QG 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=  61,  62,
 &end
#
#  54 GLU HN 56 ARG HN 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  83, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  54 GLU HA 55 ASN HN 3.30  (#9-26. changed from 2.7 )
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  69, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  54 GLU HA 56 ARG HN 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  83, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  54 GLU QG 55 ASN HN 5.00  (#8-14 changed from 3.3 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  69, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  61,  62,
 &end
#
#  55 ASN HN 59 ALA QB 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 132, 133, 134,
 &end
#
#  55 ASN HA 56 ARG HN 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  83, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  55 ASN HA 56 ARG QG 5.00  (#10-24 )
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  90,  91,
 &end
#
#  55 ASN HB2 59 ALA QB 5.00  (#8-11)
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 132, 133, 134,
 &end
#
#  55 ASN HB3 59 ALA QB 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 132, 133, 134,
 &end
#
#  55 ASN QD2 61 ILE QD1 5.00  (#8-11)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  78,  79,
 igr2= 171, 172, 173,
 &end
#
#  56 ARG HN 56 ARG HE 5.00  (#10-24 )
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  96, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  56 ARG HA 56 ARG QG 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=  90,  91,
 &end
#
#  56 ARG HA 57 PRO QD 2.70  (#9-14)
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2= 108, 109,
 &end
#
#  56 ARG QB 57 PRO HD2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  87,  88,
 &end
#
#  56 ARG QB 57 PRO HD3 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 109, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  87,  88,
 &end
#
#  56 ARG QG 57 PRO HD2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  90,  91,
 &end
#
#  56 ARG QG 57 PRO HD3 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 109, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  90,  91,
 &end
#
#  56 ARG QD 116 ALA HA 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  93,  94,
 &end
#
#  56 ARG QD 116 ALA QB 3.30  (#10-24 changed from 5.0)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1=  93,  94,
 igr2=1001,1002,1003,
 &end
#
#  56 ARG HE 116 ALA QB 5.00  (#10-24)
 &rst
  ixpk= 0, nxpk= 0, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1001,1002,1003,
 &end
#
#  57 PRO HA 58 GLY HN 2.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 117, 121, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  57 PRO HA 59 ALA HN 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 117, 128, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  57 PRO HA 91 TYR QD 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 646, 655,
 &end
#
#  57 PRO HA 91 TYR QE 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 648, 653,
 &end
#
#  57 PRO HA 92 TYR HA 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 117, 661, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  57 PRO HB2 112 ALA QB 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 950, 951, 952,
 &end
#
#  57 PRO HB3 112 ALA QB 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 950, 951, 952,
 &end
#
#  58 GLY HN 59 ALA HN 2.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 128, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  58 GLY HN 59 ALA QB 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 132, 133, 134,
 &end
#
#  58 GLY HN 90 ILE QG2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 625, 626, 627,
 &end
#
#  58 GLY HN 91 TYR QD 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 646, 655,
 &end
#
#  58 GLY HN 91 TYR QE 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 648, 653,
 &end
#
#  58 GLY HN 92 TYR HA 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 661, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  58 GLY HN 92 TYR HB2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 663, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  58 GLY HN 92 TYR HB3 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 664, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  58 GLY HN 92 TYR QD 5.00  (#9-6 changed from 3.3)
 &rst
  ixpk= 0, nxpk= 0, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 667, 676,
 &end
#
#  58 GLY HN 93 GLU HN 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 680, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  58 GLY HN 112 ALA QB 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 950, 951, 952,
 &end
#
#  58 GLY HN 113 THR HA 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 958, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  58 GLY HA2 90 ILE QG2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 625, 626, 627,
 &end
#
#  58 GLY HA2 113 THR HA 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 123, 958, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  58 GLY HA2 116 ALA QB 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1001,1002,1003,
 &end
#
#  58 GLY HA3 90 ILE QG2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 625, 626, 627,
 &end
#
#  58 GLY HA3 113 THR HA 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 958, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  58 GLY HA3 116 ALA QB 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1001,1002,1003,
 &end
#
#  59 ALA HN 90 ILE QG2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 625, 626, 627,
 &end
#
#  59 ALA HN 91 TYR HN 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 638, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  59 ALA HN 91 TYR HB2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 642, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  59 ALA HN 91 TYR HB3 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 643, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  59 ALA HN 91 TYR QD 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 646, 655,
 &end
#
#  59 ALA HN 91 TYR QE 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 648, 653,
 &end
#
#  59 ALA HN 116 ALA QB 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1001,1002,1003,
 &end
#
#  59 ALA HA 60 PHE HN 2.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 138, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  59 ALA HA 116 ALA QB 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1001,1002,1003,
 &end
#
#  59 ALA HA 117 ASN QD2 3.30  (#8-8 )
 &rst
  ixpk= 0, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1016,1017,
 &end
#
#  59 ALA QB 91 TYR HN 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 132, 133, 134,
 &end
#
#  59 ALA QB 91 TYR HB2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 642, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 132, 133, 134,
 &end
#
#  59 ALA QB 91 TYR HB3 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 132, 133, 134,
 &end
#
#  59 ALA QB 91 TYR QD 5.00  (#9-6 changed from 3.3 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 132, 133, 134,
 igr2= 646, 655,
 &end
#
#  59 ALA QB 91 TYR QE 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 132, 133, 134,
 igr2= 648, 653,
 &end
#
#  60 PHE HN 116 ALA QB 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1001,1002,1003,
 &end
#
#  60 PHE HN 117 ASN HD21 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 138,1016, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  60 PHE HN 117 ASN HD22 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 138,1017, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  60 PHE HA 60 PHE QD 2.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2= 146, 154,
 &end
#
#  60 PHE HA 61 ILE HN 2.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 158, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  60 PHE HA 87 PRO HB2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 593, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  60 PHE HA 87 PRO HB3 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 594, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  60 PHE HA 90 ILE HA 3.30  (#9-13changed from 2.7 )
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 621, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  60 PHE HA 90 ILE QG2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 625, 626, 627,
 &end
#
#  60 PHE HA 90 ILE QD1 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 632, 633, 634,
 &end
#
#  60 PHE HA 91 TYR HN 5.00  (#8-16. changed from 3.3)
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 638, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  60 PHE HB2 87 PRO HB2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 593, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  60 PHE HB2 87 PRO HB3 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 594, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  60 PHE HB3 87 PRO HB2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 593, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  60 PHE HB3 87 PRO HB3 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 594, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  60 PHE QD 62 LYS QE 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 146, 154,
 igr2= 190, 191,
 &end
#
#  60 PHE QD 87 PRO HB2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 146, 154,
 &end
#
#  60 PHE QD 87 PRO HB3 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 594, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 146, 154,
 &end
#
#  60 PHE QD 87 PRO HG2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 146, 154,
 &end
#
#  60 PHE QD 87 PRO HG3 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 591, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 146, 154,
 &end
#
#  60 PHE QD 113 THR QG2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 146, 154,
 igr2= 962, 963, 964,
 &end
#
#  60 PHE HZ 135 LEU QD1 5.00  (#9-13)
 &rst
  ixpk= 0, nxpk= 0, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1320,1321,1322,
 &end
#
#  60 PHE HZ 135 LEU QD2 5.00  (#9-13)
 &rst
  ixpk= 0, nxpk= 0, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1324,1325,1326,
 &end
#
#  61 ILE HN 61 ILE HB 2.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 162, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  61 ILE HN 61 ILE HG12 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 168, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  61 ILE HN 61 ILE HG13 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 169, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  61 ILE HN 87 PRO HB2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 593, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  61 ILE HN 87 PRO HB3 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 594, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  61 ILE HN 89 GLY HN 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 612, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  61 ILE HN 90 ILE HA 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 621, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  61 ILE HN 91 TYR HN 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 638, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  61 ILE HA 62 LYS HN 2.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 177, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  61 ILE HB 89 GLY HN 5.00  (#9-14 changed from 3.3 )
 &rst
  ixpk= 0, nxpk= 0, iat= 162, 612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  61 ILE HB 89 GLY QA 3.30  (#9-14)
 &rst
  ixpk= 0, nxpk= 0, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 614, 615,
 &end
#
#  61 ILE QG2 62 LYS HN 3.30  (#7-28. from 2.7 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 164, 165, 166,
 &end
#
#  61 ILE QG2 62 LYS HN 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 164, 165, 166,
 &end
#
#  61 ILE QG2 63 GLN HN 5.00  (#10-24)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 164, 165, 166,
 &end
#
#  61 ILE QG2 63 GLN HB2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 164, 165, 166,
 &end
#
#  61 ILE QG2 63 GLN HB3 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 204, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 164, 165, 166,
 &end
#
#  61 ILE QG2 63 GLN QG 2.70  (#10-24 changed from 3.3)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 164, 165, 166,
 igr2= 206, 207,
 &end
#
#  61 ILE QG2 63 GLN HE21 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 211, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 164, 165, 166,
 &end
#
#  61 ILE QG2 63 GLN HE22 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 164, 165, 166,
 &end
#
#  61 ILE QG2 89 GLY HN 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 164, 165, 166,
 &end
#
#  61 ILE HG12 62 LYS HN 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 177, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  61 ILE HG12 91 TYR HN 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 638, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  61 ILE HG13 62 LYS HN 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 177, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  61 ILE HG13 91 TYR HN 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 638, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  61 ILE QD1 89 GLY HN 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 171, 172, 173,
 &end
#
#  61 ILE QD1 89 GLY HA2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 171, 172, 173,
 &end
#
#  61 ILE QD1 89 GLY HA3 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 615, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 171, 172, 173,
 &end
#
#  61 ILE QD1 91 TYR HN 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 171, 172, 173,
 &end
#
#  61 ILE QD1 91 TYR HB2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 642, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 171, 172, 173,
 &end
#
#  61 ILE QD1 91 TYR HB3 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 171, 172, 173,
 &end
#
#  61 ILE QD1 91 TYR QD 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 171, 172, 173,
 igr2= 646, 655,
 &end
#
#  61 ILE QD1 92 TYR HN 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 171, 172, 173,
 &end
#
#  62 LYS HN 62 LYS QB 3.30  (#8-16)
 &rst
  ixpk= 0, nxpk= 0, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 181, 182,
 &end
#
#  62 LYS HN 88 ASP HN 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  62 LYS HA 63 GLN HN 2.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 199, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  62 LYS HA 64 GLY HN 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 216, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  62 LYS HA 87 PRO HA 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 596, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  62 LYS HA 88 ASP HN 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 600, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  62 LYS HA 89 GLY HN 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  62 LYS HG2 87 PRO HA 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 596, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  62 LYS HG2 88 ASP HN 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  62 LYS HG3 87 PRO HA 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 185, 596, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  62 LYS HG3 88 ASP HN 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 185, 600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  63 GLN HN 63 GLN QG 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 206, 207,
 &end
#
#  63 GLN HN 64 GLY HN 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 216, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  63 GLN HN 64 GLY HA2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 218, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  63 GLN HN 64 GLY HA3 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 219, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  63 GLN HN 65 ARG HN 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 223, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  63 GLN HN 88 ASP HN 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  63 GLN HN 89 GLY HN 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  63 GLN HA 63 GLN QG 2.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2= 206, 207,
 &end
#
#  63 GLN QB 65 ARG HN 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 203, 204,
 &end
#
#  63 GLN QB 65 ARG QG 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 203, 204,
 igr2= 230, 231,
 &end
#
#  63 GLN QB 89 GLY HN 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 203, 204,
 &end
#
#  63 GLN HB2 65 ARG HE 5.00  (#10-24 )
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 236, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  63 GLN HB3 65 ARG HE 5.00  (#10-24 )
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 236, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  64 GLY HN 65 ARG HN 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 223, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  64 GLY HN 88 ASP QB 5.0  (#8-7 )
 &rst
  ixpk= 0, nxpk= 0, iat= 216,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 604, 605,
 &end
#
#  64 GLY HA2 65 ARG HN 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 223, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  64 GLY HA2 84 TRP HA 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 527, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  64 GLY HA3 84 TRP HA 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 527, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  64 GLY QA 84 TRP HB2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 218, 219,
 &end
#
#  64 GLY QA 84 TRP HB3 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 530, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 218, 219,
 &end
#
#  65 ARG HN 65 ARG QD 5.00  (#10-24)
 &rst
  ixpk= 0, nxpk= 0, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 233, 234,
 &end
#
#  65 ARG HN 65 ARG HE 5.00  (#10-24)
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 236, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  65 ARG HN 88 ASP HB2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 604, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  65 ARG HN 88 ASP HB3 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 605, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  65 ARG HA 66 LYS HN 2.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 247, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  65 ARG HA 83 TYR QD 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 512, 521,
 &end
#
#  65 ARG HA 83 TYR QE 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 514, 519,
 &end
#
#  65 ARG HB2 88 ASP HB2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 227, 604, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  65 ARG HB2 88 ASP HB3 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 227, 605, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  65 ARG HB3 88 ASP HB2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 604, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  65 ARG HB3 88 ASP HB3 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 605, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  65 ARG QG 66 LYS HN 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 247, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 230, 231,
 &end
#
#  65 ARG HD2 67 LEU QQD 5.00  (#10-24)
 &rst
  ixpk= 0, nxpk= 0, iat= 233,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#  65 ARG HD3 67 LEU QQD 5.00  (#10-24)
 &rst
  ixpk= 0, nxpk= 0, iat= 234,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#  65 ARG HE 67 LEU QQD 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 236,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#  65 ARG HE 88 ASP HB2 5.00  (#10-24)
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 604, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  65 ARG HE 88 ASP HB2 5.00  (#10-24 )
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 604, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  66 LYS HN 66 LYS HB2 2.70  (#10-24 )
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 251, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  66 LYS HN 66 LYS HB3 2.70  (#10-24 )
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 252, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  66 LYS HN 66 LYS QD 5.00  (#10-24 )
 &rst
  ixpk= 0, nxpk= 0, iat= 247,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 257, 258,
 &end
#
#  66 LYS HN 83 TYR QE 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 247,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 514, 519,
 &end
#
#  66 LYS HA 67 LEU HN 2.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 269, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  66 LYS HA 79 TYR QE 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 249,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 459, 464,
 &end
#
#  66 LYS HA 79 TYR HH 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 462, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  66 LYS HB2 83 TYR QD 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 512, 521,
 &end
#
#  66 LYS HB2 83 TYR QE 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 514, 519,
 &end
#
#  66 LYS HB3 83 TYR QD 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 512, 521,
 &end
#
#  66 LYS HB3 83 TYR QE 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 514, 519,
 &end
#
#  66 LYS HG2 79 TYR QE 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 459, 464,
 &end
#
#  66 LYS HG2 83 TYR QD 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 512, 521,
 &end
#
#  66 LYS HG2 83 TYR QE 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 514, 519,
 &end
#
#  66 LYS HG3 79 TYR QE 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 255,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 459, 464,
 &end
#
#  66 LYS HG3 83 TYR QD 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 255,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 512, 521,
 &end
#
#  66 LYS HG3 83 TYR QE 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 255,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 514, 519,
 &end
#
#  66 LYS QD 80 ALA HA 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 257, 258,
 &end
#
#  66 LYS QD 83 TYR QD 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 257, 258,
 igr2= 512, 521,
 &end
#
#  66 LYS QD 83 TYR QE 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 257, 258,
 igr2= 514, 519,
 &end
#
#  66 LYS HE2 80 ALA QB 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 260,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 474, 475, 476,
 &end
#
#  66 LYS HE2 83 TYR QE 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 260,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 514, 519,
 &end
#
#  66 LYS HE3 80 ALA QB 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 261,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 474, 475, 476,
 &end
#
#  66 LYS HE3 83 TYR QE 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 261,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 514, 519,
 &end
#
#  66 LYS QE 80 ALA HA 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 260, 261,
 &end
#
#  67 LEU HN 67 LEU HG 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 276, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  67 LEU HN 67 LEU QD1 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 278, 279, 280,
 &end
#
#  67 LEU HN 67 LEU QD2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 282, 283, 284,
 &end
#
#  67 LEU HN 79 TYR QD 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 457, 466,
 &end
#
#  67 LEU HN 79 TYR QE 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 459, 464,
 &end
#
#  67 LEU HN 79 TYR HH 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 462, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  67 LEU HA 68 ASP HN 2.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 288, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  67 LEU HA 68 ASP HB2 6.00  (#9-6)
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 292, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  67 LEU HA 68 ASP HB3 6.00  (#9-6)
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 293, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  67 LEU QB 68 ASP HN 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 273, 274,
 &end
#
#  67 LEU QB 69 ILE QD1 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 273, 274,
 igr2= 313, 314, 315,
 &end
#
#  67 LEU QB 79 TYR QE 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 273, 274,
 igr2= 459, 464,
 &end
#
#  67 LEU HG 69 ILE QD1 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 313, 314, 315,
 &end
#
#  67 LEU HG 79 TYR QE 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 459, 464,
 &end
#
#  67 LEU HG 79 TYR HH 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 462, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  67 LEU QD1 68 ASP HN 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 278, 279, 280,
 &end
#
#  67 LEU QD1 88 ASP HB2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 604, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 278, 279, 280,
 &end
#
#  67 LEU QD1 88 ASP HB3 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 605, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 278, 279, 280,
 &end
#
#  67 LEU QD2 68 ASP HN 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 282, 283, 284,
 &end
#
#  67 LEU QD2 88 ASP HB2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 604, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 282, 283, 284,
 &end
#
#  67 LEU QD2 88 ASP HB3 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 605, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 282, 283, 284,
 &end
#
#  67 LEU QD1 69 ILE QG2 5.0  (#7-28. 3.3. #8-2 5.0)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 278, 279, 280,
 igr2= 306, 307, 308,
 &end
#
#  67 LEU QQD 79 TYR QD 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 278, 279, 280, 282, 283, 284,
 igr2= 457, 466,
 &end
#
#  67 LEU QQD 79 TYR QE 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 278, 279, 280, 282, 283, 284,
 igr2= 459, 464,
 &end
#
#  68 ASP HN 68 ASP HB2 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat= 288, 292, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  68 ASP HN 68 ASP HB3 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat= 288, 293, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  68 ASP HA 69 ILE HN 2.70 
 &rst
  ixpk= 3, nxpk= 0, iat= 290, 300, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  68 ASP HA 69 ILE HB 6.00  (#9-6)
 &rst
  ixpk= 3, nxpk= 0, iat= 290, 304, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  68 ASP HA 69 ILE QG1 5.00  (#8-17)
 &rst
  ixpk= 3, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 310, 311,
 &end
#
#  69 ILE HN 69 ILE HB 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat= 300, 304, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  69 ILE HN 69 ILE QG2 5.0  (#7-28. from 3.3)
 &rst
  ixpk= 3, nxpk= 0, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 306, 307, 308,
 &end
#
#  69 ILE HN 69 ILE QG1 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 310, 311,
 &end
#
#  69 ILE HA 69 ILE QG2 2.70 
 &rst
  ixpk= 3, nxpk= 0, iat= 302,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 306, 307, 308,
 &end
#
#  69 ILE HA 70 ASP HN 2.70 
 &rst
  ixpk= 3, nxpk= 0, iat= 302, 319, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  69 ILE HA 70 ASP HB2 6.00  (#9-6)
 &rst
  ixpk= 3, nxpk= 0, iat= 302, 323, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  69 ILE HA 70 ASP HB3 6.00  (#9-6)
 &rst
  ixpk= 3, nxpk= 0, iat= 302, 324, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  69 ILE HB 71 PHE QE 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 341, 345,
 &end
#
#  69 ILE HB 71 PHE HZ 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 304, 343, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  69 ILE QG2 70 ASP HN 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 306, 307, 308,
 &end
#
#  69 ILE QG2 71 PHE HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 331, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 306, 307, 308,
 &end
#
#  69 ILE QG2 71 PHE HA 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 306, 307, 308,
 &end
#
#  69 ILE QG2 71 PHE QD 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 306, 307, 308,
 igr2= 339, 347,
 &end
#
#  69 ILE QG2 71 PHE QE 3.30  (#8-21 changed from 5.0 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 306, 307, 308,
 igr2= 341, 345,
 &end
#
#  69 ILE QG2 71 PHE HZ 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 343, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 306, 307, 308,
 &end
#
#  69 ILE QG2 72 GLY HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 306, 307, 308,
 &end
#
#  69 ILE QG2 137 ARG HG2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1361, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 306, 307, 308,
 &end
#
#  69 ILE QG2 137 ARG HG3 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1362, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 306, 307, 308,
 &end
#
#  69 ILE QG2 137 ARG HE 3.30  (#10-24. changed from 5.0)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 306, 307, 308,
 &end
#
#  69 ILE QG2 138 LEU QD2 5.00  (#8-3)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 306, 307, 308,
 igr2=1391,1392,1393,
 &end
#
#  69 ILE QG2 141 GLU HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1438, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 306, 307, 308,
 &end
#
#  69 ILE QG2 141 GLU HG2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1445, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 306, 307, 308,
 &end
#
#  69 ILE QG2 141 GLU HG3 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 306, 307, 308,
 &end
#
#  69 ILE QD1 71 PHE QD 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 313, 314, 315,
 igr2= 339, 347,
 &end
#
#  69 ILE QD1 71 PHE QE 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 313, 314, 315,
 igr2= 341, 345,
 &end
#
#  69 ILE QD1 71 PHE HZ 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 343, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 313, 314, 315,
 &end
#
#  69 ILE QD1 137 ARG HE 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 313, 314, 315,
 &end
#
#  69 ILE QD1 138 LEU HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 313, 314, 315,
 &end
#
#  69 ILE QD1 138 LEU HA 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1380, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 313, 314, 315,
 &end
#
#  69 ILE QD1 141 GLU HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1438, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 313, 314, 315,
 &end
#
#  69 ILE QD1 141 GLU HB2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1442, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 313, 314, 315,
 &end
#
#  69 ILE QD1 141 GLU HB3 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1443, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 313, 314, 315,
 &end
#
#  69 ILE QD1 141 GLU HG2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1445, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 313, 314, 315,
 &end
#
#  69 ILE QD1 141 GLU HG3 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 313, 314, 315,
 &end
#
#  70 ASP HN 70 ASP HB2 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat= 319, 323, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  70 ASP HN 70 ASP HB3 3.30
 &rst
  ixpk= 3, nxpk= 0, iat= 319, 324, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  70 ASP HA 71 PHE HN 2.70 
 &rst
  ixpk= 3, nxpk= 0, iat= 321, 331, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  70 ASP HA 72 GLY HN 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat= 321, 351, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  71 PHE HN 71 PHE QD 3.30
 &rst
  ixpk= 3, nxpk= 0, iat= 331,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 339, 347,
 &end
#
#  71 PHE HN 72 GLY HN 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat= 331, 351, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  71 PHE HN 76 ASN HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 331, 390, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  71 PHE HN 76 ASN QB 5.00  (#8-7)
 &rst
  ixpk= 3, nxpk= 0, iat= 331,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 394, 395,
 &end
#
#  71 PHE HN 76 ASN QD2 5.00  (#8-7)
 &rst
  ixpk= 3, nxpk= 0, iat= 331,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 399, 400,
 &end
#
#  71 PHE HB2 75 GLY HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 335, 383, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  71 PHE HB2 75 GLY HA2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 335, 385, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  71 PHE HB2 75 GLY HA3 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 335, 386, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  71 PHE HB2 76 ASN HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 335, 390, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  71 PHE HB2 76 ASN HA 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 335, 392, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  71 PHE HB3 75 GLY HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 336, 383, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  71 PHE HB3 75 GLY HA2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 336, 385, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  71 PHE HB3 75 GLY HA3 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 336, 386, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  71 PHE HB3 76 ASN HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 336, 390, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  71 PHE HB3 76 ASN HA 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 336, 392, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  71 PHE QD 76 ASN HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 339, 347,
 &end
#
#  71 PHE QD 76 ASN HA 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 339, 347,
 &end
#
#  71 PHE QD 134 VAL HA 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 339, 347,
 &end
#
#  71 PHE QD 134 VAL HB 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1299, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 339, 347,
 &end
#
#  71 PHE QD 134 VAL QG1 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 339, 347,
 igr2=1301,1302,1303,
 &end
#
#  71 PHE QD 134 VAL QG2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 339, 347,
 igr2=1305,1306,1307,
 &end
#
#  71 PHE QD 137 ARG HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1354, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 339, 347,
 &end
#
#  71 PHE QD 137 ARG HB2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1358, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 339, 347,
 &end
#
#  71 PHE QD 137 ARG HB3 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1359, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 339, 347,
 &end
#
#  71 PHE QD 137 ARG HG2 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1361, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 339, 347,
 &end
#
#  71 PHE QD 137 ARG HG3 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1362, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 339, 347,
 &end
#
#  71 PHE QD 138 LEU HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 339, 347,
 &end
#
#  71 PHE QE 134 VAL HA 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 341, 345,
 &end
#
#  71 PHE QE 134 VAL QG1 3.30  (#8-21. changed from 5.0)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 341, 345,
 igr2=1301,1302,1303,
 &end
#
#  71 PHE QE 134 VAL QG2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 341, 345,
 igr2=1305,1306,1307,
 &end
#
#  71 PHE QE 137 ARG HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1354, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 341, 345,
 &end
#
#  71 PHE QE 137 ARG HB2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1358, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 341, 345,
 &end
#
#  71 PHE QE 137 ARG HB3 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1359, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 341, 345,
 &end
#
#  71 PHE QE 137 ARG HG2 5.00  (#9-14 changed from 3.3)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1361, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 341, 345,
 &end
#
#  71 PHE QE 137 ARG HG3 5.00  (#9-14 changed from 3.3)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1362, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 341, 345,
 &end
#
#  71 PHE QE 138 LEU HN 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 341, 345,
 &end
#
#  71 PHE QE 138 LEU HG 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 341, 345,
 &end
#
#  71 PHE QE 138 LEU QQD 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 341, 345,
 igr2=1387,1388,1389,1391,1392,1393,
 &end
#
#  71 PHE HZ 134 VAL QG1 3.30  (#7-26 )
 &rst
  ixpk= 3, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2=1301,1302,1303,
 &end
#
#  71 PHE HZ 138 LEU HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 343,1378, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  71 PHE HZ 138 LEU QB 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1382,1383,
 &end
#
#  71 PHE HZ 138 LEU QD1 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1387,1388,1389,
 &end
#
#  71 PHE HZ 138 LEU QD2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1391,1392,1393,
 &end
#
#  72 GLY HN 72 GLY HA2 3.0  (#8-10)
 &rst
  ixpk= 3, nxpk= 0, iat= 351, 353, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  72 GLY HN 72 GLY HA3 3.0  (#8-10)
 &rst
  ixpk= 3, nxpk= 0, iat= 351, 354, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  72 GLY HN 76 ASN HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 351, 390, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  72 GLY HN 76 ASN QB 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 394, 395,
 &end
#
#  72 GLY HN 76 ASN HD21 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 351, 399, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  72 GLY HN 76 ASN HD22 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 351, 400, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  72 GLY HA2 73 ALA HN 3.0  (#8-10)
 &rst
  ixpk= 3, nxpk= 0, iat= 353, 358, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  72 GLY HA2 73 ALA QB 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 362, 363, 364,
 &end
#
#  72 GLY HA2 74 GLU HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 353, 368, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  72 GLY HA3 73 ALA HN 3.0  (#8-10)
 &rst
  ixpk= 3, nxpk= 0, iat= 354, 358, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  72 GLY HA3 73 ALA QB 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 362, 363, 364,
 &end
#
#  72 GLY HA3 74 GLU HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 354, 368, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  73 ALA HN 73 ALA HN 2.70 
#This appears to be self-referential: ignoring
#
#  73 ALA HN 74 GLU HN 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat= 358, 368, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  73 ALA HN 75 GLY HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 358, 383, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  73 ALA HA 76 ASN HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 360, 390, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  73 ALA HA 76 ASN QB 3.30  (#8-8)
 &rst
  ixpk= 3, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 394, 395,
 &end
#
#  73 ALA HA 76 ASN HD21 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 360, 399, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  73 ALA HA 76 ASN HD22 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 360, 400, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  73 ALA HA 77 ARG HN 5.00  (#8-21)
 &rst
  ixpk= 3, nxpk= 0, iat= 360, 404, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  73 ALA QB 74 GLU HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 368, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 362, 363, 364,
 &end
#
#  73 ALA QB 74 GLU QB 5.00  (#10-24 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 362, 363, 364,
 igr2= 372, 373,
 &end
#
#  73 ALA QB 75 GLY HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 362, 363, 364,
 &end
#
#  73 ALA QB 76 ASN QB 5.00  (#8-21)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 362, 363, 364,
 igr2= 394, 395,
 &end
#
#  73 ALA QB 76 ASN QD2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 362, 363, 364,
 igr2= 399, 400,
 &end
#
#  73 ALA QB 77 ARG HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 362, 363, 364,
 &end
#
#  74 GLU HN 74 GLU HN 2.70 
#This appears to be self-referential: ignoring
#
#  74 GLU HN 74 GLU QB 2.70 
 &rst
  ixpk= 3, nxpk= 0, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2= 372, 373,
 &end
#
#  74 GLU HN 74 GLU HG2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 368, 375, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  74 GLU HN 74 GLU HG3 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 368, 376, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  74 GLU HN 75 GLY HN 2.70
 &rst
  ixpk= 3, nxpk= 0, iat= 368, 383, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  74 GLU HN 75 GLY QA 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 385, 386,
 &end
#
#  74 GLU HN 76 ASN HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 368, 390, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  74 GLU HN 77 ARG HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 368, 404, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  74 GLU HN 130 LEU QQD 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1226,1227,1228,1230,1231,1232,
 &end
#
#  74 GLU HA 76 ASN HN 5.00  (#10-24)
 &rst
  ixpk= 3, nxpk= 0, iat= 370, 390, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  74 GLU HA 77 ARG HN 5.00  (#9-14 changed from 3.3 )
 &rst
  ixpk= 3, nxpk= 0, iat= 370, 404, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  74 GLU HA 77 ARG QB 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 408, 409,
 &end
#
#  74 GLU HA 77 ARG QD 5.00  (#10-24)
 &rst
  ixpk= 3, nxpk= 0, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 414, 415,
 &end
#
#  74 GLU HA 78 TYR HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 370, 428, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  74 GLU HA 130 LEU QQD 5.00  (#10-24)
 &rst
  ixpk= 3, nxpk= 0, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1226,1227,1228,1230,1231,1232,
 &end
#
#  74 GLU QB 75 GLY HN 2.70 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 372, 373,
 &end
#
#  74 GLU QB 76 ASN HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 372, 373,
 &end
#
#  74 GLU QB 130 LEU QD1 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 372, 373,
 igr2=1226,1227,1228,
 &end
#
#  74 GLU QB 130 LEU QD2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 372, 373,
 igr2=1230,1231,1232,
 &end
#
#  74 GLU HG2 75 GLY HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 375, 383, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  74 GLU HG2 130 LEU QD1 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1226,1227,1228,
 &end
#
#  74 GLU HG2 130 LEU QD2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1230,1231,1232,
 &end
#
#  74 GLU HG3 75 GLY HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 376, 383, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  74 GLU HG3 130 LEU QD1 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1226,1227,1228,
 &end
#
#  74 GLU HG3 130 LEU QD2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1230,1231,1232,
 &end
#
#  75 GLY HN 76 ASN HN 2.70 
 &rst
  ixpk= 3, nxpk= 0, iat= 383, 390, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  75 GLY HN 77 ARG HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 383, 404, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  75 GLY HN 130 LEU QQD 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1226,1227,1228,1230,1231,1232,
 &end
#
#  75 GLY HN 134 VAL QG2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1305,1306,1307,
 &end
#
#  75 GLY HA2 78 TYR HB2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 385, 432, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  75 GLY HA2 78 TYR HB3 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 385, 433, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  75 GLY HA2 130 LEU QQD 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1226,1227,1228,1230,1231,1232,
 &end
#
#  75 GLY HA2 134 VAL QQG 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1301,1302,1303,1305,1306,1307,
 &end
#
#  75 GLY HA3 78 TYR HB2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 386, 432, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  75 GLY HA3 78 TYR HB3 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 386, 433, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  75 GLY HA3 130 LEU QQD 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1226,1227,1228,1230,1231,1232,
 &end
#
#  75 GLY HA3 134 VAL QQG 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1301,1302,1303,1305,1306,1307,
 &end
#
#  75 GLY QA 78 TYR HN 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 385, 386,
 &end
#
#  76 ASN HN 76 ASN HA 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat= 390, 392, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  76 ASN HN 76 ASN HD21 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 390, 399, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  76 ASN HN 76 ASN HD22 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 390, 400, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  76 ASN HN 77 ARG HN 2.70 
 &rst
  ixpk= 3, nxpk= 0, iat= 390, 404, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  76 ASN HN 77 ARG QB 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 408, 409,
 &end
#
#  76 ASN HN 130 LEU QQD 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1226,1227,1228,1230,1231,1232,
 &end
#
#  76 ASN HN 134 VAL QG1 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1301,1302,1303,
 &end
#
#  76 ASN HN 134 VAL QG2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1305,1306,1307,
 &end
#
#  76 ASN HA 78 TYR HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 392, 428, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  76 ASN HA 79 TYR HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 392, 449, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  76 ASN HA 79 TYR HB2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 392, 453, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  76 ASN HA 79 TYR HB3 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 392, 454, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  76 ASN HA 80 ALA HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 392, 470, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  76 ASN QB 77 ARG HN 2.70 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 394, 395,
 &end
#
#  77 ARG HN 77 ARG QB 2.70 
 &rst
  ixpk= 3, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2= 408, 409,
 &end
#
#  77 ARG HN 77 ARG QG 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 411, 412,
 &end
#
#  77 ARG HN 77 ARG HD2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 404, 414, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  77 ARG HN 77 ARG HD3 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 404, 415, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  77 ARG HN 78 TYR HN 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat= 404, 428, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  77 ARG HN 79 TYR HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 404, 449, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  77 ARG HN 130 LEU QQD 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1226,1227,1228,1230,1231,1232,
 &end
#
#  77 ARG HA 79 TYR HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 406, 449, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  77 ARG HA 80 ALA HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 406, 470, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  77 ARG HA 80 ALA QB 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 474, 475, 476,
 &end
#
#  77 ARG QB 79 TYR HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 408, 409,
 &end
#
#  78 TYR HN 78 TYR HB2 2.70 
 &rst
  ixpk= 3, nxpk= 0, iat= 428, 432, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  78 TYR HN 78 TYR HB3 2.70 
 &rst
  ixpk= 3, nxpk= 0, iat= 428, 433, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  78 TYR HN 79 TYR HN 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat= 428, 449, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  78 TYR HN 79 TYR QB 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 453, 454,
 &end
#
#  78 TYR HN 80 ALA HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 428, 470, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  78 TYR HN 81 ALA QB 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 484, 485, 486,
 &end
#
#  78 TYR HN 130 LEU QQD 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1226,1227,1228,1230,1231,1232,
 &end
#
#  78 TYR HN 134 VAL QG1 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1301,1302,1303,
 &end
#
#  78 TYR HN 134 VAL QG2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1305,1306,1307,
 &end
#
#  78 TYR HA 81 ALA HN 5.0  (#9-13 changed from 3.30 )
 &rst
  ixpk= 3, nxpk= 0, iat= 430, 480, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  78 TYR HA 81 ALA QB 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 484, 485, 486,
 &end
#
#  78 TYR HA 82 ASN HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 430, 490, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  78 TYR HA 82 ASN HD21 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 430, 499, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  78 TYR HA 82 ASN HD22 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 430, 500, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  78 TYR HB2 130 LEU QQD 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1226,1227,1228,1230,1231,1232,
 &end
#
#  78 TYR HB3 130 LEU QQD 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1226,1227,1228,1230,1231,1232,
 &end
#
#  78 TYR QD 79 TYR HN 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 436, 445,
 &end
#
#  78 TYR QD 79 TYR HA 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 436, 445,
 &end
#
#  78 TYR QD 130 LEU HG 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1224, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 436, 445,
 &end
#
#  78 TYR QD 130 LEU QD1 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 436, 445,
 igr2=1226,1227,1228,
 &end
#
#  78 TYR QD 130 LEU QD2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 436, 445,
 igr2=1230,1231,1232,
 &end
#
#  78 TYR QD 131 HIP HA 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1238, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 436, 445,
 &end
#
#  78 TYR QD 134 VAL HB 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1299, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 436, 445,
 &end
#
#  78 TYR QD 134 VAL QG1 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 436, 445,
 igr2=1301,1302,1303,
 &end
#
#  78 TYR QD 134 VAL QG2 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 436, 445,
 igr2=1305,1306,1307,
 &end
#
#  78 TYR QE 82 ASN HB2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 438, 443,
 &end
#
#  78 TYR QE 82 ASN HB3 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 495, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 438, 443,
 &end
#
#  78 TYR QE 130 LEU HG 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1224, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 438, 443,
 &end
#
#  78 TYR QE 130 LEU QQD 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 438, 443,
 igr2=1226,1227,1228,1230,1231,1232,
 &end
#
#  78 TYR QE 131 HIP HA 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1238, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 438, 443,
 &end
#
#  78 TYR QE 131 HIP HE1 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1246, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 438, 443,
 &end
#
#  78 TYR QE 134 VAL HB 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1299, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 438, 443,
 &end
#
#  78 TYR QE 134 VAL QG1 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 438, 443,
 igr2=1301,1302,1303,
 &end
#
#  78 TYR QE 134 VAL QG2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 438, 443,
 igr2=1305,1306,1307,
 &end
#
#  78 TYR QE 135 LEU HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 438, 443,
 &end
#
#  78 TYR HH 82 ASN HB2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 441, 494, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  78 TYR HH 82 ASN HB3 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 441, 495, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  78 TYR HH 131 HIP HA 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat= 441,1238, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  78 TYR HH 131 HIP HE1 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 441,1246, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  79 TYR HN 79 TYR HB2 2.70 
 &rst
  ixpk= 3, nxpk= 0, iat= 449, 453, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  79 TYR HN 79 TYR HB3 2.70 
 &rst
  ixpk= 3, nxpk= 0, iat= 449, 454, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  79 TYR HN 80 ALA HN 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat= 449, 470, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  79 TYR HN 80 ALA QB 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 474, 475, 476,
 &end
#
#  79 TYR HN 81 ALA HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 449, 480, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  79 TYR HN 134 VAL QG1 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1301,1302,1303,
 &end
#
#  79 TYR HN 134 VAL QG2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1305,1306,1307,
 &end
#
#  79 TYR HA 79 TYR QD 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 457, 466,
 &end
#
#  79 TYR HA 81 ALA HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 451, 480, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  79 TYR HA 82 ASN HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 451, 490, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  79 TYR HA 82 ASN QB 5.00  (#9-14)
 &rst
  ixpk= 3, nxpk= 0, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 494, 495,
 &end
#
#  79 TYR HA 83 TYR HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 451, 504, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  79 TYR HA 134 VAL QQG 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1301,1302,1303,1305,1306,1307,
 &end
#
#  79 TYR HB2 134 VAL QG1 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1301,1302,1303,
 &end
#
#  79 TYR HB2 134 VAL QG2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1305,1306,1307,
 &end
#
#  79 TYR HB3 134 VAL QG1 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1301,1302,1303,
 &end
#
#  79 TYR HB3 134 VAL QG2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1305,1306,1307,
 &end
#
#  79 TYR QD 80 ALA HN 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 457, 466,
 &end
#
#  79 TYR QD 83 TYR HA 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 457, 466,
 &end
#
#  79 TYR QD 134 VAL QQG 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 457, 466,
 igr2=1301,1302,1303,1305,1306,1307,
 &end
#
#  79 TYR QE 83 TYR HA 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 459, 464,
 &end
#
#  79 TYR QE 83 TYR HA 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 459, 464,
 &end
#
#  79 TYR QE 83 TYR HB2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 459, 464,
 &end
#
#  79 TYR QE 83 TYR HB3 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 509, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 459, 464,
 &end
#
#  79 TYR QE 86 PHE QB 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 459, 464,
 igr2= 570, 571,
 &end
#
#  79 TYR QE 134 VAL QQG 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 459, 464,
 igr2=1301,1302,1303,1305,1306,1307,
 &end
#
#  79 TYR QE 138 LEU QD1 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 459, 464,
 igr2=1387,1388,1389,
 &end
#
#  79 TYR QE 138 LEU QD2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 459, 464,
 igr2=1391,1392,1393,
 &end
#
#  79 TYR HH 83 TYR HA 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 462, 506, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  79 TYR HH 86 PHE QD 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 574, 582,
 &end
#
#  80 ALA HN 81 ALA HN 3.30  (#9-15 changed from 2.7 )
 &rst
  ixpk= 3, nxpk= 0, iat= 470, 480, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  80 ALA HN 81 ALA QB 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 484, 485, 486,
 &end
#
#  80 ALA HN 82 ASN HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 470, 490, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  80 ALA HN 134 VAL QQG 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1301,1302,1303,1305,1306,1307,
 &end
#
#  80 ALA HA 82 ASN HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 472, 490, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  80 ALA HA 83 TYR QD 3.30  
 &rst
  ixpk= 3, nxpk= 0, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 512, 521,
 &end
#
#  80 ALA QB 82 ASN HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 474, 475, 476,
 &end
#
#  80 ALA QB 83 TYR QD 5.00 
 (#80 ALA QB 83 TYR HN 5.00 #9-13)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 474, 475, 476,
 igr2= 512, 521,
 &end
#
#  81 ALA HN 82 ASN HN 2.70 
 &rst
  ixpk= 3, nxpk= 0, iat= 480, 490, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  81 ALA HN 82 ASN HD22 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 480, 500, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  81 ALA HN 83 TYR HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 480, 504, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  81 ALA HA 83 TYR HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 482, 504, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  81 ALA QB 82 ASN HD21 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 484, 485, 486,
 &end
#
#  81 ALA QB 82 ASN HD22 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 484, 485, 486,
 &end
#
#  82 ASN HN 82 ASN HD21 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 490, 499, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  82 ASN HN 82 ASN HD21 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 490, 499, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  82 ASN HN 83 TYR HN 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat= 490, 504, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  82 ASN HN 83 TYR HA 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 490, 506, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  82 ASN HA 84 TRP HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 492, 525, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  82 ASN HA 84 TRP HD1 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 492, 533, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  82 ASN HA 84 TRP HE1 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat= 492, 535, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  82 ASN HA 85 GLN HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 492, 549, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  82 ASN HA 85 GLN QG 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 556, 557,
 &end
#
#  82 ASN HA 85 GLN QE2 5.00   (#8-2)
 &rst
  ixpk= 3, nxpk= 0, iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 561, 562,
 &end
#
#  82 ASN HB2 84 TRP HE1 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 494, 535, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  82 ASN HB2 85 GLN QE2 5.00  (#8-2)
 &rst
  ixpk= 3, nxpk= 0, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 561, 562,
 &end
#
#  82 ASN HB2 86 PHE QE 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 576, 580,
 &end
#
#  82 ASN HB3 84 TRP HE1 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 495, 535, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  82 ASN HB3 85 GLN HG2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 495, 556, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  82 ASN HB3 85 GLN HG3 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 495, 557, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  82 ASN HB3 85 GLN QE2 5.00  (#8-2)
 &rst
  ixpk= 3, nxpk= 0, iat= 495,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 561, 562,
 &end
#
#  82 ASN HB3 86 PHE QE 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 495,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 576, 580,
 &end
#
#  82 ASN QB 84 TRP HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 494, 495,
 &end
#
#  82 ASN QB 85 GLN HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 494, 495,
 &end
#
#  83 TYR HN 83 TYR HA 2.70 
 &rst
  ixpk= 3, nxpk= 0, iat= 504, 506, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  83 TYR HN 83 TYR QD 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 512, 521,
 &end
#
#  83 TYR HA 85 GLN HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 506, 549, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  83 TYR HA 86 PHE HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 506, 566, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  83 TYR HA 86 PHE HB2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 506, 570, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  83 TYR HA 86 PHE HB3 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 506, 571, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  83 TYR HA 86 PHE QD 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 574, 582,
 &end
#
#  83 TYR HA 86 PHE QE 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 576, 580,
 &end
#
#  83 TYR QD 84 TRP HA 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 512, 521,
 &end
#
#  83 TYR QE 84 TRP HN 5.00  (#8-14)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 514, 519,
 &end
#
#  83 TYR QE 84 TRP HD1 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 533, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 514, 519,
 &end
#
#  84 TRP HN 84 TRP HB3 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat= 525, 530, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  84 TRP HN 84 TRP HD1 2.70 
 &rst
  ixpk= 3, nxpk= 0, iat= 525, 533, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  84 TRP HN 84 TRP HE1 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 525, 535, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  84 TRP HN 85 GLN HN 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat= 525, 549, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  84 TRP HN 85 GLN HG3 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 525, 557, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  84 TRP HN 86 PHE HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 525, 566, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  84 TRP HA 86 PHE HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 527, 566, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  84 TRP HB2 84 TRP HE3 3.30 
 &rst
  ixpk= 3, nxpk= 0, iat= 529, 544, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  84 TRP HD1 85 GLN QG 5.00  (#9-14)
 &rst
  ixpk= 3, nxpk= 0, iat= 533,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 556, 557,
 &end
#
#  84 TRP HE3 85 GLN HN 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 544, 549, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  84 TRP HE3 85 GLN HA 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 544, 551, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  84 TRP HE3 85 GLN HG2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 544, 556, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  84 TRP HE3 85 GLN HG3 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 544, 557, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  84 TRP HE1 85 GLN HG2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 535, 556, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  84 TRP HE1 85 GLN HG3 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 535, 557, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  84 TRP HE1 85 GLN QE2 5.00  (#8-2)
 &rst
  ixpk= 3, nxpk= 0, iat= 535,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 561, 562,
 &end
#
#  84 TRP HZ3 85 GLN HA 5.00  (#8-21)
 &rst
  ixpk= 3, nxpk= 0, iat= 542, 551, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  84 TRP HZ3 85 GLN HG2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 542, 556, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  84 TRP HZ3 85 GLN HG3 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 542, 557, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  84 TRP HZ2 85 GLN HG2 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 538, 556, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  84 TRP HZ2 85 GLN HG3 5.00 
 &rst
  ixpk= 3, nxpk= 0, iat= 538, 557, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  84 TRP HZ2 85 GLN HE21 5.00  (#8-2. 8-14)
 &rst
  ixpk= 8, nxpk= 0, iat= 538, 561, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  84 TRP HZ2 85 GLN HE22 5.00  (#8-2. 8-14)
 &rst
  ixpk= 8, nxpk= 0, iat= 538, 562, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  84 TRP HH2 85 GLN HG2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 540, 556, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  84 TRP HH2 85 GLN HG3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 540, 557, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  85 GLN HN 85 GLN HG2 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 549, 556, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  85 GLN HN 85 GLN HG3 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 549, 557, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  85 GLN HN 86 PHE QB 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 570, 571,
 &end
#
#  85 GLN HN 86 PHE QD 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 574, 582,
 &end
#
#  85 GLN HB2 131 HIP HE1 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 553,1246, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  85 GLN HB3 131 HIP HE1 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 554,1246, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  85 GLN QG 131 HIP HE1 5.00
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1246, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 556, 557,
 &end
#
#  85 GLN QE2 131 HIP HE1 3.3   (#8-9)
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1246, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 561, 562,
 &end
#
#  85 GLN QE2 135 LEU QQD 5.00  (#8-3)
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 561, 562,
 igr2=1320,1321,1322,1324,1325,1326,
 &end
#
#  86 PHE HN 86 PHE QB 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2= 570, 571,
 &end
#
#  86 PHE HN 86 PHE QD 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 574, 582,
 &end
#
#  86 PHE HN 87 PRO QD 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 587, 588,
 &end
#
#  86 PHE HA 87 PRO HD2 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat= 568, 587, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  86 PHE HA 87 PRO HD3 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat= 568, 588, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  86 PHE QD 87 PRO QG 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 574, 582,
 igr2= 590, 591,
 &end
#
#  86 PHE QD 87 PRO HD2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 574, 582,
 &end
#
#  86 PHE QD 87 PRO HD3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 574, 582,
 &end
#
#  86 PHE HA 138 LEU QQD 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1387,1388,1389,1391,1392,1393,
 &end
#
#  86 PHE QB 138 LEU QD1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 570, 571,
 igr2=1387,1388,1389,
 &end
#
#  86 PHE QB 138 LEU QD2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 570, 571,
 igr2=1391,1392,1393,
 &end
#
#  86 PHE QD 134 VAL QG1 5.00  
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 574, 582,
 igr2=1301,1302,1303,
 &end
#
#  86 PHE QD 135 LEU HA 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1313, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 574, 582,
 &end
#
#  86 PHE QD 135 LEU QD1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 574, 582,
 igr2=1320,1321,1322,
 &end
#
#  86 PHE QD 135 LEU QD2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 574, 582,
 igr2=1324,1325,1326,
 &end
#
#  86 PHE QD 135 LEU QQD 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 574, 582,
 igr2=1320,1321,1322,1324,1325,1326,
 &end
#
#  86 PHE QD 138 LEU QB 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 574, 582,
 igr2=1382,1383,
 &end
#
#  86 PHE QE 131 HIP HA 5.00  (#8-14)
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1238, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 576, 580,
 &end
#
#  86 PHE QE 134 VAL HB 5.00  (#8-9 )
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1299, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 576, 580,
 &end
#
#  86 PHE QE 134 VAL QG1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 576, 580,
 igr2=1301,1302,1303,
 &end
#
#  86 PHE QE 134 VAL QG2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 576, 580,
 igr2=1305,1306,1307,
 &end
#
#  86 PHE QE 135 LEU HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 576, 580,
 &end
#
#  86 PHE QE 135 LEU HA 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1313, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 576, 580,
 &end
#
#  86 PHE QE 135 LEU HB2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1315, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 576, 580,
 &end
#
#  86 PHE QE 135 LEU HB3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 576, 580,
 &end
#
#  86 PHE QE 135 LEU QD1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 576, 580,
 igr2=1320,1321,1322,
 &end
#
#  86 PHE QE 135 LEU QD2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 576, 580,
 igr2=1324,1325,1326,
 &end
#
#  86 PHE HZ 134 VAL HB 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 578,1299, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  86 PHE HZ 134 VAL QQG 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 578,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1301,1302,1303,1305,1306,1307,
 &end
#
#  86 PHE HZ 135 LEU HN 5.00  (#8-7)
 &rst
  ixpk= 8, nxpk= 0, iat= 578,1311, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  86 PHE HZ 131 HIP HA 5.00  (#7-28)
 &rst
  ixpk= 8, nxpk= 0, iat= 578,1238, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  87 PRO HA 88 ASP HN 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat= 596, 600, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  87 PRO HA 89 GLY HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 596, 612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  87 PRO HB2 89 GLY HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 593, 612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  87 PRO HB3 89 GLY HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 594, 612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  87 PRO QB 138 LEU QQD 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 593, 594,
 igr2=1387,1388,1389,1391,1392,1393,
 &end
#
#  87 PRO QB 139 ILE QD1 5.00  (#9-13)
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 593, 594,
 igr2=1410,1411,1412,
 &end
#
#  87 PRO HG2 135 LEU QQD 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1320,1321,1322,1324,1325,1326,
 &end
#
#  87 PRO HD2 135 LEU QQD 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr2=1320,1321,1322,1324,1325,1326,
 &end
#
#  87 PRO HD2 138 LEU QQD 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr2=1387,1388,1389,1391,1392,1393,
 &end
#
#  87 PRO HD3 135 LEU QQD 5.00  (#9-26.changed from 3.3. )
 &rst
  ixpk= 8, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1320,1321,1322,1324,1325,1326,
 &end
#
#  87 PRO HD3 138 LEU QQD 5.00  (#9-26.changed from 3.3. )
 &rst
  ixpk= 8, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1387,1388,1389,1391,1392,1393,
 &end
#
#  88 ASP HN 89 GLY HN 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat= 600, 612, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  88 ASP HN 142 ILE QD1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1466,1467,1468,
 &end
#
#  88 ASP HA 138 LEU QQD 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr2=1387,1388,1389,1391,1392,1393,
 &end
#
#  88 ASP HA 142 ILE QD1 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2=1466,1467,1468,
 &end
#
#  89 GLY HN 142 ILE QG2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1459,1460,1461,
 &end
#
#  89 GLY HN 142 ILE QD1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1466,1467,1468,
 &end
#
#  89 GLY HA2 142 ILE QG2 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2=1459,1460,1461,
 &end
#
#  89 GLY HA2 142 ILE QD1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1466,1467,1468,
 &end
#
#  89 GLY HA3 142 ILE QG2 5.00  (#8-14 changed from 3.3 )
 &rst
  ixpk= 8, nxpk= 0, iat= 615,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1459,1460,1461,
 &end
#
#  89 GLY HA3 142 ILE QD1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 615,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1466,1467,1468,
 &end
#
#  89 GLY QA 90 ILE HN 2.70  (#9-14)
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 619, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 614, 615,
 &end
#
#  90 ILE HN 142 ILE QG2 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 619,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2=1459,1460,1461,
 &end
#
#  90 ILE HN 142 ILE QD1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 619,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1466,1467,1468,
 &end
#
#  90 ILE HA 91 TYR HN 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat= 621, 638, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  90 ILE HA 91 TYR HB2 6.00  (#9-6)
 &rst
  ixpk= 8, nxpk= 0, iat= 621, 642, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  90 ILE HA 91 TYR HB3 6.00  (#9-6)
 &rst
  ixpk= 8, nxpk= 0, iat= 621, 643, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  90 ILE QG2 91 TYR HN 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 625, 626, 627,
 &end
#
#  90 ILE QG2 91 TYR HA 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 625, 626, 627,
 &end
#
#  90 ILE QG2 91 TYR HB2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 642, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 625, 626, 627,
 &end
#
#  90 ILE QG2 91 TYR HB3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 625, 626, 627,
 &end
#
#  90 ILE QG2 92 TYR HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 625, 626, 627,
 &end
#
#  90 ILE QG2 92 TYR HB2 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 625, 626, 627,
 &end
#
#  90 ILE QG2 92 TYR HB3 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 625, 626, 627,
 &end
#
#  90 ILE QG2 92 TYR QD 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 625, 626, 627,
 igr2= 667, 676,
 &end
#
#  90 ILE QG2 113 THR HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 625, 626, 627,
 &end
#
#  90 ILE QG2 113 THR HA 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 625, 626, 627,
 &end
#
#  90 ILE QG2 113 THR HB 5.0  (#9-7)
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 625, 626, 627,
 &end
#
#  90 ILE QG2 113 THR HG1 3.3  (#9-7)
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 966, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 625, 626, 627,
 &end
#
#  90 ILE QG2 113 THR QG2 5.0  (#9-7)
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 625, 626, 627,
 igr2= 962, 963, 964,
 &end
#
#  90 ILE HG12 142 ILE QD1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1466,1467,1468,
 &end
#
#  90 ILE HG13 142 ILE QD1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1466,1467,1468,
 &end
#
#  90 ILE QD1 113 THR HA 5.0  (#9-7)
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 632, 633, 634,
 &end
#
#  90 ILE QD1 113 THR HB 5.0  (#9-7)
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 632, 633, 634,
 &end
#
#  90 ILE QD1 113 THR HG1 5.0  (#9-7)
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 966, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 632, 633, 634,
 &end
#
#  90 ILE QD1 113 THR QG2 5.0  (#9-7)
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 632, 633, 634,
 igr2= 962, 963, 964,
 &end
#
#  90 ILE QD1 139 ILE HA 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1399, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 632, 633, 634,
 &end
#
#  90 ILE QD1 139 ILE HB 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 632, 633, 634,
 &end
#
#  90 ILE QD1 142 ILE HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 632, 633, 634,
 &end
#
#  90 ILE QD1 142 ILE HB 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1457, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 632, 633, 634,
 &end
#
#  90 ILE QD1 142 ILE QG2 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 632, 633, 634,
 igr2=1459,1460,1461,
 &end
#
#  90 ILE QD1 142 ILE QD1 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 632, 633, 634,
 igr2=1466,1467,1468,
 &end
#
#  91 TYR HN 91 TYR HB2 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat= 638, 642, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  91 TYR HN 91 TYR HB3 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat= 638, 643, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  91 TYR HA 91 TYR QD 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 646, 655,
 &end
#
#  91 TYR HA 92 TYR HN 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat= 640, 659, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  91 TYR HB2 91 TYR QD 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 642,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 646, 655,
 &end
#
#  91 TYR HB3 91 TYR QD 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 646, 655,
 &end
#
#  91 TYR QE 93 GLU HG2 5.00  (#8-21 )
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 648, 653,
 &end
#
#  91 TYR QE 93 GLU HG3 5.00  (#8-21 )
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 648, 653,
 &end
#
#  92 TYR HN 93 GLU HG2 6.00  (#9-6)
 &rst
  ixpk= 8, nxpk= 0, iat= 659, 687, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  92 TYR HN 93 GLU HG3 6.00  (#9-6)
 &rst
  ixpk= 8, nxpk= 0, iat= 659, 688, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  92 TYR HN 94 GLY HN 6.00  (#9-6)
 &rst
  ixpk= 8, nxpk= 0, iat= 659, 695, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  92 TYR HA 93 GLU HN 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat= 661, 680, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  92 TYR HA 93 GLU HA 6.00  (#9-6 )
 &rst
  ixpk= 8, nxpk= 0, iat= 661, 682, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  92 TYR HA 93 GLU QB 6.00  (#9-6 )
 &rst
  ixpk= 8, nxpk= 0, iat= 661,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 684, 685,
 &end
#
#  92 TYR HA 93 GLU HG2 5.00  (#8-21 )
 &rst
  ixpk= 8, nxpk= 0, iat= 661, 687, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  92 TYR HA 93 GLU HG3 5.00  (#8-21 )
 &rst
  ixpk= 8, nxpk= 0, iat= 661, 688, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  92 TYR QB 146 LYS HE2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1516, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 663, 664,
 &end
#
#  92 TYR QB 146 LYS HE3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1517, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 663, 664,
 &end
#
#  92 TYR QD 93 GLU HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 680, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 667, 676,
 &end
#
#  92 TYR QD 93 GLU HA 5.00  (#10-25 )
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 682, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 667, 676,
 &end
#
#  92 TYR QD 94 GLY HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 695, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 667, 676,
 &end
#
#  92 TYR QD 94 GLY QA 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 667, 676,
 igr2= 697, 698,
 &end
#
#  92 TYR QD 105 LEU HG 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 853, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 667, 676,
 &end
#
#  92 TYR QD 105 LEU QD1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 667, 676,
 igr2= 855, 856, 857,
 &end
#
#  92 TYR QD 105 LEU QD2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 667, 676,
 igr2= 859, 860, 861,
 &end
#
#  92 TYR QD 109 CYX HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 906, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 667, 676,
 &end
#
#  92 TYR QD 109 CYX HA 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 667, 676,
 &end
#
#  92 TYR QD 109 CYX HA 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 667, 676,
 &end
#
#  92 TYR QD 109 CYX HB2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 910, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 667, 676,
 &end
#
#  92 TYR QD 109 CYX HB2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 910, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 667, 676,
 &end
#
#  92 TYR QD 109 CYX HB3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 911, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 667, 676,
 &end
#
#  92 TYR QD 109 CYX HB3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 911, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 667, 676,
 &end
#
#  92 TYR QD 112 ALA QB 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 667, 676,
 igr2= 950, 951, 952,
 &end
#
#  92 TYR QE 94 GLY HN 5.00  (#10-24)
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 695, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 669, 674,
 &end
#
#  92 TYR QE 94 GLY HA2 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 697, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 669, 674,
 &end
#
#  92 TYR QE 94 GLY HA3 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 698, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 669, 674,
 &end
#
#  92 TYR QE 105 LEU HG 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 853, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 669, 674,
 &end
#
#  92 TYR QE 105 LEU QQD 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 669, 674,
 igr2= 855, 856, 857, 859, 860, 861,
 &end
#
#  92 TYR QE 109 CYX HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 906, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 669, 674,
 &end
#
#  92 TYR QE 109 CYX HA 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 669, 674,
 &end
#
#  92 TYR QE 109 CYX HA 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 669, 674,
 &end
#
#  92 TYR QE 109 CYX HB2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 910, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 669, 674,
 &end
#
#  92 TYR QE 109 CYX HB2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 910, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 669, 674,
 &end
#
#  92 TYR QE 109 CYX HB3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 911, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 669, 674,
 &end
#
#  92 TYR QE 109 CYX HB3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 911, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 669, 674,
 &end
#
#  92 TYR QE 112 ALA HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 946, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 669, 674,
 &end
#
#  92 TYR QE 112 ALA HA 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 948, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 669, 674,
 &end
#
#  92 TYR QE 112 ALA QB 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 669, 674,
 igr2= 950, 951, 952,
 &end
#
#  93 GLU HN 93 GLU QB 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat= 680,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2= 684, 685,
 &end
#
#  93 GLU HN 93 GLU HG2 5.00  (#9-8)
 &rst
  ixpk= 8, nxpk= 0, iat= 680, 687, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  93 GLU HN 93 GLU HG3 5.00  (#9-8)
 &rst
  ixpk= 8, nxpk= 0, iat= 680, 688, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  93 GLU HA 94 GLY HN 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat= 682, 695, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  93 GLU HA 94 GLY HA2 5.0  (#8-21)
 &rst
  ixpk= 8, nxpk= 0, iat= 682, 697, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  93 GLU HA 94 GLY HA3 5.0  (#8-21)
 &rst
  ixpk= 8, nxpk= 0, iat= 682, 698, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  93 GLU HA 95 CYX HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 682, 702, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  93 GLU HG2 94 GLY HN 5.00  (#8-21)
 &rst
  ixpk= 8, nxpk= 0, iat= 687, 695, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  93 GLU HG3 94 GLY HN 5.00  (#8-21)
 &rst
  ixpk= 8, nxpk= 0, iat= 688, 695, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  94 GLY HN 94 GLY HA2 3.0  (#8-24. changed from 2.7)
 &rst
  ixpk= 8, nxpk= 0, iat= 695, 697, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  94 GLY HN 94 GLY HA3 3.0  (#9-8. changed from 3.3)
 &rst
  ixpk= 8, nxpk= 0, iat= 695, 698, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  94 GLY HN 95 CYX HN 3.30  (#10-25)
 &rst
  ixpk= 8, nxpk= 0, iat= 695, 702, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  94 GLY HN 105 LEU QQD 5.0  (#8-10)
 &rst
  ixpk= 8, nxpk= 0, iat= 695,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 855, 856, 857, 859, 860, 861,
 &end
#
#  94 GLY HA2 105 LEU HG 5.00  (#8-21)
 &rst
  ixpk= 8, nxpk= 0, iat= 697, 853, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  94 GLY HA2 105 LEU QQD 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 697,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 855, 856, 857, 859, 860, 861,
 &end
#
#  94 GLY HA3 105 LEU HG 5.00  (#8-21)
 &rst
  ixpk= 8, nxpk= 0, iat= 698, 853, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  94 GLY HA3 105 LEU QQD 5.00
 &rst
  ixpk= 8, nxpk= 0, iat= 698,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 855, 856, 857, 859, 860, 861,
 &end
#
#  95 CYX HN 100 VAL QQG 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 768, 769, 770, 772, 773, 774,
 &end
#
#  95 CYX HN 105 LEU QQD 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 855, 856, 857, 859, 860, 861,
 &end
#
#  95 CYX HN 150 PHE HZ 5.00  (#8-17)
 &rst
  ixpk= 8, nxpk= 0, iat= 702,1577, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  95 CYX HA 97 GLU HN 5.00  (#10-25)
 &rst
  ixpk= 8, nxpk= 0, iat= 704, 723, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  95 CYX HA 100 VAL HB 5.00  (#8-22)
 &rst
  ixpk= 8, nxpk= 0, iat= 704, 766, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  95 CYX HA 100 VAL QQG 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 768, 769, 770, 772, 773, 774,
 &end
#
#  95 CYX HA 105 LEU QQD 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 855, 856, 857, 859, 860, 861,
 &end
#
#  95 CYX HA 150 PHE HZ 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 704,1577, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  95 CYX HB2 150 PHE QE 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 706,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1575,1579,
 &end
#
#  95 CYX HB2 150 PHE HZ 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 706,1577, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  95 CYX HB3 150 PHE QE 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 707,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1575,1579,
 &end
#
#  95 CYX HB3 150 PHE HZ 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 707,1577, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  95 CYX QB 96 SER HA 6.00  (#9-6)
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 706, 707,
 &end
#
#  96 SER HN 96 SER QB 3.30  (#8-21)
 &rst
  ixpk= 8, nxpk= 0, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 716, 717,
 &end
#
#  96 SER HN 97 GLU HN 3.30  (#8-14)
 &rst
  ixpk= 8, nxpk= 0, iat= 712, 723, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  96 SER HN 100 VAL QQG 5.00  (#10-25)
 &rst
  ixpk= 8, nxpk= 0, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 768, 769, 770, 772, 773, 774,
 &end
#
#  97 GLU HN 100 VAL HB 5.00  (#8-21)
 &rst
  ixpk= 8, nxpk= 0, iat= 723, 766, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  97 GLU HN 100 VAL QQG 3.30  (#10-25 changed from 5.00 )
 &rst
  ixpk= 8, nxpk= 0, iat= 723,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr2= 768, 769, 770, 772, 773, 774,
 &end
#
#  97 GLU HA 98 ALA HN 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat= 725, 738, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  97 GLU HA 98 ALA HA 6.00  (#9-6)
 &rst
  ixpk= 8, nxpk= 0, iat= 725, 740, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  97 GLU HA 98 ALA QB 6.00  (#9-6)
 &rst
  ixpk= 8, nxpk= 0, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 742, 743, 744,
 &end
#
#  97 GLU HB2 99 ASN HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 727, 748, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  97 GLU HB2 100 VAL QQG 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 768, 769, 770, 772, 773, 774,
 &end
#
#  97 GLU HB3 99 ASN HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 728, 748, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  97 GLU HB3 100 VAL QQG 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 728,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 768, 769, 770, 772, 773, 774,
 &end
#
#  97 GLU QB 100 VAL HN 5.00  (#9-12)
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 727, 728,
 &end
#
#  97 GLU HG2 98 ALA HN 5.00  (#10-25)
 &rst
  ixpk= 8, nxpk= 0, iat= 730, 738, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  97 GLU HG2 100 VAL HB 5.00  (#8-22)
 &rst
  ixpk= 8, nxpk= 0, iat= 730, 766, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  97 GLU HG2 100 VAL QQG 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 730,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 768, 769, 770, 772, 773, 774,
 &end
#
#  97 GLU HG3 100 VAL HB 5.00  (#8-22)
 &rst
  ixpk= 8, nxpk= 0, iat= 731, 766, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  97 GLU HG3 100 VAL QQG 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 731,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 768, 769, 770, 772, 773, 774,
 &end
#
#  97 GLU HG2 98 ALA HN 5.00  (#10-25)
 &rst
  ixpk= 8, nxpk= 0, iat= 730, 738, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  97 GLU QG 99 ASN HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 730, 731,
 &end
#
#  97 GLU QG 100 VAL HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 730, 731,
 &end
#
#  98 ALA HN 98 ALA HA 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat= 738, 740, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  98 ALA HN 100 VAL HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 738, 762, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  98 ALA HN 152 LEU QQD 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 738,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1618,1619,1620,1622,1623,1624,
 &end
#
#  98 ALA HA 99 ASN HA 6.00  (#9-6)
 &rst
  ixpk= 8, nxpk= 0, iat= 740, 750, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  98 ALA HA 100 VAL HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 740, 762, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  98 ALA QB 99 ASN HA 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 742, 743, 744,
 &end
#
#  98 ALA QB 99 ASN QB 5.00  (#8-21)
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 742, 743, 744,
 igr2= 752, 753,
 &end
#
#  98 ALA QB 99 ASN HD21 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 757, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 742, 743, 744,
 &end
#
#  98 ALA QB 99 ASN HD22 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 758, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 742, 743, 744,
 &end
#
#  98 ALA QB 150 PHE QD 5.00  (#8-21)
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 742, 743, 744,
 igr2=1573,1581,
 &end
#
#  99 ASN HN 99 ASN HD21 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 748, 757, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  99 ASN HN 99 ASN HD22 5.00  (#8-22)
 &rst
  ixpk= 8, nxpk= 0, iat= 748, 758, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  99 ASN HN 100 VAL HN 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat= 748, 762, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  99 ASN HN 100 VAL HB 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 748, 766, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 100 VAL HA 101 THR HN 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat= 764, 778, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 100 VAL HA 104 MET HB2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 764, 833, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 100 VAL HA 104 MET HB3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 764, 834, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 100 VAL HA 104 MET QE 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 764,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 840, 841, 842,
 &end
#
# 100 VAL HB 151 TRP HE1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 766,1595, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 100 VAL QQG 104 MET HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 768, 769, 770, 772, 773, 774,
 &end
#
# 100 VAL QQG 104 MET QG 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 768, 769, 770, 772, 773, 774,
 igr2= 836, 837,
 &end
#
# 100 VAL QQG 104 MET QE 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 768, 769, 770, 772, 773, 774,
 igr2= 840, 841, 842,
 &end
#
# 100 VAL QQG 105 LEU HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 768, 769, 770, 772, 773, 774,
 &end
#
# 100 VAL QQG 105 LEU HB2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 850, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 768, 769, 770, 772, 773, 774,
 &end
#
# 100 VAL QQG 105 LEU HB3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 851, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 768, 769, 770, 772, 773, 774,
 &end
#
# 100 VAL QQG 105 LEU HG 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 853, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 768, 769, 770, 772, 773, 774,
 &end
#
# 100 VAL QQG 105 LEU QD1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 768, 769, 770, 772, 773, 774,
 igr2= 855, 856, 857,
 &end
#
# 100 VAL QQG 105 LEU QD2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 768, 769, 770, 772, 773, 774,
 igr2= 859, 860, 861,
 &end
#
# 100 VAL QQG 150 PHE QE 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 768, 769, 770, 772, 773, 774,
 igr2=1575,1579,
 &end
#
# 100 VAL QQG 150 PHE HZ 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1577, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 768, 769, 770, 772, 773, 774,
 &end
#
# 100 VAL QQG 151 TRP HZ2 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1598, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 768, 769, 770, 772, 773, 774,
 &end
#
# 100 VAL QQG 151 TRP HE1 3.30  (#8-9)
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1595, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 768, 769, 770, 772, 773, 774,
 &end
#
# 101 THR HN 104 MET HA 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 778, 831, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 101 THR HN 104 MET HB2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 778, 833, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 101 THR HN 104 MET HB3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 778, 834, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 101 THR HN 104 MET QG 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 778,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 836, 837,
 &end
#
# 101 THR HN 104 MET QE 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 778,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 840, 841, 842,
 &end
#
# 101 THR HN 105 LEU HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 778, 846, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 101 THR HA 102 LYS HN 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat= 780, 792, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 101 THR HA 102 LYS HA 6.00  (#9-6)
 &rst
  ixpk= 8, nxpk= 0, iat= 780, 794, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 101 THR HA 102 LYS HB2 6.00  (#9-6 )
 &rst
  ixpk= 8, nxpk= 0, iat= 780, 796, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 101 THR HA 102 LYS HB3 6.00  (#9-6 )
 &rst
  ixpk= 8, nxpk= 0, iat= 780, 797, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 101 THR HA 103 GLU HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 780, 814, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 101 THR HA 104 MET HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 780, 829, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 101 THR HA 151 TRP HE1 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 780,1595, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 101 THR HA 151 TRP HZ2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 780,1598, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 101 THR HB 102 LYS HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 782, 792, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 101 THR HB 102 LYS HA 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 782, 794, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 101 THR HB 103 GLU HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 782, 814, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 101 THR QG2 151 TRP HE1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1595, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 784, 785, 786,
 &end
#
# 102 LYS HN 151 TRP HE1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 792,1595, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 102 LYS HA 104 MET HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 794, 829, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 102 LYS HA 105 LEU HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 794, 846, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 102 LYS HA 105 LEU HB2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 794, 850, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 102 LYS HA 105 LEU HB3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 794, 851, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 102 LYS HA 105 LEU QB 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 794,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 850, 851,
 &end
#
# 102 LYS HA 151 TRP HE1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 794,1595, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 102 LYS HA 151 TRP HZ2 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 794,1598, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 102 LYS HA 151 TRP HH2 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 794,1600, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 102 LYS HB2 151 TRP HH2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 796,1600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 102 LYS HB3 151 TRP HH2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 797,1600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 102 LYS QB 151 TRP HZ3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 796, 797,
 &end
#
# 102 LYS QG 103 GLU HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 799, 800,
 &end
#
# 102 LYS QG 151 TRP HH2 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1600, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 799, 800,
 &end
#
# 102 LYS QD 151 TRP HZ3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 802, 803,
 &end
#
# 102 LYS QD 151 TRP HH2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1600, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 802, 803,
 &end
#
# 102 LYS HE2 106 VAL QQG 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 805,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 871, 872, 873, 875, 876, 877,
 &end
#
# 102 LYS HE3 106 VAL QQG 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 806,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 871, 872, 873, 875, 876, 877,
 &end
#
# 103 GLU HN 103 GLU QG 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 821, 822,
 &end
#
# 103 GLU HN 104 MET HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 814, 829, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 103 GLU HN 105 LEU HN 5.00  (#8-21 )
 &rst
  ixpk= 8, nxpk= 0, iat= 814, 846, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 103 GLU HA 106 VAL HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 816, 865, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 103 GLU HA 106 VAL HB 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 816, 869, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 103 GLU HA 106 VAL QG1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 816,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 871, 872, 873,
 &end
#
# 103 GLU HA 106 VAL QG2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 816,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 875, 876, 877,
 &end
#
# 103 GLU HA 107 THR HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 816, 881, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 103 GLU HG2 104 MET HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 821, 829, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 103 GLU HG3 104 MET HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 822, 829, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 104 MET HN 104 MET QG 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat= 829,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2= 836, 837,
 &end
#
# 104 MET HN 104 MET QE 5.00  (#8-22 )
 &rst
  ixpk= 8, nxpk= 0, iat= 829,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 840, 841, 842,
 &end
#
# 104 MET HN 105 LEU HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 829, 846, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 104 MET HN 106 VAL HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 829, 865, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 104 MET HA 104 MET QG 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2= 836, 837,
 &end
#
# 104 MET HA 107 THR HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 831, 881, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 104 MET HA 107 THR HB 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 831, 885, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 104 MET HA 107 THR QG2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 887, 888, 889,
 &end
#
# 104 MET QE 105 LEU HN 5.00  (#8-22)
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 840, 841, 842,
 &end
#
# 105 LEU HN 151 TRP HH2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 846,1600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 105 LEU HB2 151 TRP HZ2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 850,1598, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 105 LEU HB2 151 TRP HH2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 850,1600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 105 LEU HB3 151 TRP HZ2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 851,1598, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 105 LEU HB3 151 TRP HH2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 851,1600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 105 LEU QD1 151 TRP HZ2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1598, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 855, 856, 857,
 &end
#
# 105 LEU QD1 151 TRP HH2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1600, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 855, 856, 857,
 &end
#
# 105 LEU QD2 151 TRP HZ2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1598, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 859, 860, 861,
 &end
#
# 105 LEU QD2 151 TRP HH2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1600, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 859, 860, 861,
 &end
#
# 105 LEU QQD 146 LYS HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1503, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 855, 856, 857, 859, 860, 861,
 &end
#
# 105 LEU QQD 146 LYS HG2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1510, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 855, 856, 857, 859, 860, 861,
 &end
#
# 105 LEU QQD 146 LYS HG3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1511, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 855, 856, 857, 859, 860, 861,
 &end
#
# 105 LEU QQD 147 HIP HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 855, 856, 857, 859, 860, 861,
 &end
#
# 105 LEU QQD 147 HIP HA 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1527, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 855, 856, 857, 859, 860, 861,
 &end
#
# 105 LEU QQD 151 TRP HH2 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1600, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 855, 856, 857, 859, 860, 861,
 &end
#
# 106 VAL HN 106 VAL HB 2.70  (#9-14 from 3.3)
 &rst
  ixpk= 8, nxpk= 0, iat= 865, 869, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 106 VAL HN 106 VAL QG2 2.70  (#9-14)
 &rst
  ixpk= 8, nxpk= 0, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 875, 876, 877,
 &end
#
# 106 VAL HN 107 THR HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 865, 881, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 106 VAL HN 151 TRP HH2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 865,1600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 106 VAL HA 108 SER HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 867, 895, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 106 VAL HA 109 CYX HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 867, 906, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 106 VAL HA 109 CYX QB 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 867,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 910, 911,
 &end
#
# 106 VAL HA 143 CYX HA 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 867,1474, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 106 VAL HA 143 CYX HB2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 867,1476, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 106 VAL HA 143 CYX HB3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 867,1477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 106 VAL HA 144 SER HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 867,1482, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 106 VAL HA 146 LYS QG 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 867,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1510,1511,
 &end
#
# 106 VAL HB 107 THR HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 869, 881, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 106 VAL QG1 143 CYX HB2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1476, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 871, 872, 873,
 &end
#
# 106 VAL QG1 143 CYX HB3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 871, 872, 873,
 &end
#
# 106 VAL QG1 144 SER HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1482, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 871, 872, 873,
 &end
#
# 106 VAL QG1 144 SER HA 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1484, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 871, 872, 873,
 &end
#
# 106 VAL QG1 144 SER HB2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1486, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 871, 872, 873,
 &end
#
# 106 VAL QG1 144 SER HB3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1487, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 871, 872, 873,
 &end
#
# 106 VAL QG1 145 ALA HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1493, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 871, 872, 873,
 &end
#
# 106 VAL QG2 143 CYX HB2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1476, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 875, 876, 877,
 &end
#
# 106 VAL QG2 143 CYX HB3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 875, 876, 877,
 &end
#
# 106 VAL QG2 144 SER HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1482, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 875, 876, 877,
 &end
#
# 106 VAL QG2 144 SER HA 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1484, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 875, 876, 877,
 &end
#
# 106 VAL QG2 144 SER HB2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1486, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 875, 876, 877,
 &end
#
# 106 VAL QG2 144 SER HB3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1487, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 875, 876, 877,
 &end
#
# 106 VAL QG2 145 ALA HN 5.00
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1493, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 875, 876, 877,
 &end
#
# 106 VAL QQG 140 LYS QD 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 871, 872, 873, 875, 876, 877,
 igr2=1426,1427,
 &end
#
# 107 THR HN 107 THR HB 2.70  (#9-14. from 3.30 )
 &rst
  ixpk= 8, nxpk= 0, iat= 881, 885, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 107 THR HN 108 SER HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 881, 895, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 107 THR HN 109 CYX HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 881, 906, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 107 THR HA 109 CYX HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 883, 906, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 107 THR HA 110 VAL HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 883, 916, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 107 THR HA 110 VAL HB 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 883, 920, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 107 THR HA 110 VAL QQG 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr2= 922, 923, 924, 926, 927, 928,
 &end
#
# 107 THR HA 111 ASN HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 883, 932, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 107 THR HB 108 SER HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 885, 895, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 107 THR QG2 110 VAL QQG 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 887, 888, 889,
 igr2= 922, 923, 924, 926, 927, 928,
 &end
#
# 107 THR QG2 111 ASN HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 932, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 887, 888, 889,
 &end
#
# 107 THR QG2 111 ASN HD21 3.30  (#8-9)
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 887, 888, 889,
 &end
#
# 107 THR QG2 111 ASN HD22 3.30  (#8-9 )
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 887, 888, 889,
 &end
#
# 108 SER HN 109 CYX QB 5.00  (#9-13)
 &rst
  ixpk= 8, nxpk= 0, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 910, 911,
 &end
#
# 108 SER HN 110 VAL HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 895, 916, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 108 SER HA 110 VAL HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 897, 916, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 108 SER HA 111 ASN HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 897, 932, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 108 SER HA 111 ASN QB 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 936, 937,
 &end
#
# 108 SER HA 111 ASN HD22 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 897, 942, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 108 SER HB2 111 ASN QB 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 899,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 936, 937,
 &end
#
# 108 SER HB3 111 ASN QB 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 900,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 936, 937,
 &end
#
# 109 CYX HN 109 CYX HB2 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 906, 910, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 109 CYX HN 109 CYX HB3 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 906, 911, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 109 CYX HN 110 VAL HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 906, 916, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 109 CYX HN 111 ASN HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 906, 932, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 109 CYX HA 111 ASN HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 908, 932, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 109 CYX HA 112 ALA HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 908, 946, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 109 CYX HA 112 ALA QB 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 908,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 950, 951, 952,
 &end
#
# 109 CYX HA 113 THR HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 908, 956, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 109 CYX HA 113 THR HG1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 908, 966, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 109 CYX HB2 110 VAL QQG 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 910,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 922, 923, 924, 926, 927, 928,
 &end
#
# 109 CYX HB3 110 VAL QQG 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 911,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 922, 923, 924, 926, 927, 928,
 &end
#
# 110 VAL HN 110 VAL HB 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 916, 920, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 110 VAL HN 111 ASN HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 916, 932, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 110 VAL HN 112 ALA HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 916, 946, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 110 VAL HN 113 THR HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 916, 956, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 110 VAL HN 143 CYX HB2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 916,1476, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 110 VAL HN 143 CYX HB3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 916,1477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 110 VAL HA 112 ALA HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 918, 946, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 110 VAL HA 113 THR HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 918, 956, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 110 VAL HA 113 THR HB 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 918, 960, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 110 VAL HA 113 THR QG2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 962, 963, 964,
 &end
#
# 110 VAL HA 113 THR HG1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 918, 966, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 110 VAL HA 114 GLN HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 918, 970, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 110 VAL HA 139 ILE QG2 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2=1403,1404,1405,
 &end
#
# 110 VAL HA 139 ILE QD1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1410,1411,1412,
 &end
#
# 110 VAL HB 111 ASN HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 920, 932, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 110 VAL HB 136 TRP HZ3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 920,1347, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 110 VAL QG1 114 GLN HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 970, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 922, 923, 924,
 &end
#
# 110 VAL QG1 136 TRP HZ3 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 922, 923, 924,
 &end
#
# 110 VAL QG2 136 TRP HZ3 3.30  (#9-13 changed from 2.70 )
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 926, 927, 928,
 &end
#
# 110 VAL QG2 140 LYS HA 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1418, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 926, 927, 928,
 &end
#
# 110 VAL QG2 143 CYX HB2 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1476, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 926, 927, 928,
 &end
#
# 110 VAL QG2 143 CYX HB3 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 926, 927, 928,
 &end
#
# 110 VAL QQG 111 ASN HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 932, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 922, 923, 924, 926, 927, 928,
 &end
#
# 110 VAL QQG 111 ASN QB 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 922, 923, 924, 926, 927, 928,
 igr2= 936, 937,
 &end
#
# 110 VAL QQG 111 ASN HD21 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 922, 923, 924, 926, 927, 928,
 &end
#
# 110 VAL QQG 111 ASN HD22 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 922, 923, 924, 926, 927, 928,
 &end
#
# 110 VAL QQG 112 ALA HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 946, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 922, 923, 924, 926, 927, 928,
 &end
#
# 110 VAL QQG 113 THR HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 922, 923, 924, 926, 927, 928,
 &end
#
# 110 VAL QQG 114 GLN HG2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 922, 923, 924, 926, 927, 928,
 &end
#
# 110 VAL QQG 114 GLN HG3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 922, 923, 924, 926, 927, 928,
 &end
#
# 110 VAL QQG 114 GLN HE21 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 922, 923, 924, 926, 927, 928,
 &end
#
# 110 VAL QQG 114 GLN HE22 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 983, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 922, 923, 924, 926, 927, 928,
 &end
#
# 111 ASN HN 111 ASN QB 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat= 932,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2= 936, 937,
 &end
#
# 111 ASN HN 111 ASN HD21 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 932, 941, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 111 ASN HN 111 ASN HD22 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 932, 942, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 111 ASN HN 112 ALA HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 932, 946, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 111 ASN HN 112 ALA QB 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 932,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 950, 951, 952,
 &end
#
# 111 ASN HN 113 THR HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 932, 956, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 111 ASN HA 114 GLN HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 934, 970, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 111 ASN HA 114 GLN QB 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 934,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 974, 975,
 &end
#
# 111 ASN HA 114 GLN HG2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 934, 977, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 111 ASN HA 114 GLN HG3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 934, 978, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 111 ASN HA 114 GLN HE21 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 934, 982, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 111 ASN HA 114 GLN HE22 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 934, 983, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 111 ASN HA 115 ALA HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 934, 987, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 112 ALA HN 113 THR HN 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat= 946, 956, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 112 ALA HN 115 ALA QB 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 946,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 991, 992, 993,
 &end
#
# 112 ALA QB 113 THR HG1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 966, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 950, 951, 952,
 &end
#
# 113 THR HN 113 THR HB 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat= 956, 960, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 113 THR HN 113 THR HG1 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 956, 966, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 113 THR HN 114 GLN HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 956, 970, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 113 THR HN 115 ALA HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 956, 987, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 113 THR HA 116 ALA QB 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2=1001,1002,1003,
 &end
#
# 113 THR HA 117 ASN HD21 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 958,1016, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 113 THR HA 117 ASN HD22 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 958,1017, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 113 THR HB 114 GLN HN 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat= 960, 970, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 113 THR HB 139 ILE QG2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 960,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1403,1404,1405,
 &end
#
# 113 THR HB 139 ILE QD1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 960,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1410,1411,1412,
 &end
#
# 113 THR QG2 114 GLN HA 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 962, 963, 964,
 &end
#
# 113 THR QG2 117 ASN HD21 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1016, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 962, 963, 964,
 &end
#
# 113 THR QG2 117 ASN HD22 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 962, 963, 964,
 &end
#
# 113 THR QG2 121 PHE QE 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 962, 963, 964,
 igr2=1073,1077,
 &end
#
# 113 THR QG2 121 PHE HZ 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1075, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 962, 963, 964,
 &end
#
# 113 THR QG2 139 ILE HB 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 962, 963, 964,
 &end
#
# 113 THR QG2 139 ILE QG2 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 962, 963, 964,
 igr2=1403,1404,1405,
 &end
#
# 113 THR QG2 139 ILE QG1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 962, 963, 964,
 igr2=1407,1408,
 &end
#
# 113 THR QG2 139 ILE QD1 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 962, 963, 964,
 igr2=1410,1411,1412,
 &end
#
# 113 THR HG1 139 ILE QG2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 966,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1403,1404,1405,
 &end
#
# 113 THR HG1 139 ILE QD1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 966,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1410,1411,1412,
 &end
#
# 114 GLN HN 114 GLN HA 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat= 970, 972, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 114 GLN HN 114 GLN QG 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 970,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 977, 978,
 &end
#
# 114 GLN HN 115 ALA HN 3.30  (#8-7. from 2.7)
 &rst
  ixpk= 8, nxpk= 0, iat= 970, 987, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 114 GLN HN 115 ALA QB 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 970,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 991, 992, 993,
 &end
#
# 114 GLN HN 116 ALA HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 970, 997, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 114 GLN HN 117 ASN HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 970,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 114 GLN HN 136 TRP HH2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 970,1345, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 114 GLN HA 114 GLN QG 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 972,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 977, 978,
 &end
#
# 114 GLN HA 116 ALA HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 972, 997, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 114 GLN HA 117 ASN HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 972,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 114 GLN HA 121 PHE QD 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 972,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1071,1079,
 &end
#
# 114 GLN HA 121 PHE QE 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 972,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1073,1077,
 &end
#
# 114 GLN HA 139 ILE QD1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 972,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1410,1411,1412,
 &end
#
# 114 GLN QB 115 ALA HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 974, 975,
 &end
#
# 114 GLN QB 136 TRP HH2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 974, 975,
 &end
#
# 114 GLN HG2 115 ALA HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 977, 987, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 114 GLN HG2 121 PHE QD 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 977,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1071,1079,
 &end
#
# 114 GLN HG2 121 PHE QE 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 977,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1073,1077,
 &end
#
# 114 GLN HG2 136 TRP HZ2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 977,1343, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 114 GLN HG2 136 TRP HH2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 977,1345, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 114 GLN HG3 115 ALA HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 978, 987, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 114 GLN HG3 121 PHE QD 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1071,1079,
 &end
#
# 114 GLN HG3 121 PHE QE 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1073,1077,
 &end
#
# 114 GLN HG3 136 TRP HZ2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 978,1343, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 114 GLN HG3 136 TRP HH2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 978,1345, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 115 ALA HN 115 ALA HA 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat= 987, 989, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 115 ALA HN 116 ALA HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 987, 997, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 115 ALA HN 116 ALA QB 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 987,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1001,1002,1003,
 &end
#
# 115 ALA HN 117 ASN HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 987,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 115 ALA HA 117 ASN HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 989,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 115 ALA HA 118 GLN HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 989,1021, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 115 ALA HA 118 GLN QB 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 989,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1025,1026,
 &end
#
# 115 ALA HA 118 GLN QG 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 989,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1028,1029,
 &end
#
# 115 ALA HA 118 GLN HE21 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat= 989,1033, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 115 ALA QB 118 GLN HG2 5.00  (#10-25)
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1028, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 991, 992, 993,
 &end
#
# 115 ALA QB 118 GLN HG3 5.00  (#10-25)
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1029, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 991, 992, 993,
 &end
#
# 115 ALA QB 118 GLN HE21 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1033, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 991, 992, 993,
 &end
#
# 116 ALA HN 117 ASN HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat= 997,1007, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 116 ALA QB 117 ASN HA 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1009, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1001,1002,1003,
 &end
#
# 116 ALA QB 117 ASN HD21 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1016, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1001,1002,1003,
 &end
#
# 116 ALA QB 117 ASN HD22 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1001,1002,1003,
 &end
#
# 117 ASN HN 117 ASN HD21 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1007,1016, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 117 ASN HN 117 ASN HD22 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1007,1017, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 117 ASN HN 118 GLN HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1007,1021, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 117 ASN HN 118 GLN QB 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1025,1026,
 &end
#
# 117 ASN HA 118 GLN HN 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat=1009,1021, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 117 ASN HA 118 GLN QB 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1009,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1025,1026,
 &end
#
# 117 ASN HA 118 GLN QG 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1009,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1028,1029,
 &end
#
# 117 ASN HA 119 ALA HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1009,1038, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 117 ASN HA 120 GLU HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1009,1048, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 117 ASN HB2 121 PHE QD 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1011,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1071,1079,
 &end
#
# 117 ASN HB2 121 PHE QE 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1011,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1073,1077,
 &end
#
# 117 ASN HB3 121 PHE QD 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1012,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1071,1079,
 &end
#
# 117 ASN HB3 121 PHE QE 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1012,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1073,1077,
 &end
#
# 118 GLN HN 118 GLN QB 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat=1021,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2=1025,1026,
 &end
#
# 118 GLN HN 119 ALA HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1021,1038, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 118 GLN HN 119 ALA QB 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1021,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1042,1043,1044,
 &end
#
# 118 GLN HA 121 PHE HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1023,1063, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 118 GLN HA 121 PHE HB2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1023,1067, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 118 GLN HA 121 PHE HB3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1023,1068, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 118 GLN HA 121 PHE QD 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1071,1079,
 &end
#
# 118 GLN HA 121 PHE QE 5.00  (#10-25)
 &rst
  ixpk= 8, nxpk= 0, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1073,1077,
 &end
#
# 118 GLN HA 122 SER HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1023,1083, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 118 GLN QB 119 ALA HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1038, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1025,1026,
 &end
#
# 119 ALA HN 120 GLU HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1038,1048, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 119 ALA HN 121 PHE HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1038,1063, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 119 ALA HA 121 PHE HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1040,1063, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 119 ALA HA 122 SER HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1040,1083, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 119 ALA HA 122 SER QB 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1040,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1087,1088,
 &end
#
# 119 ALA QB 120 GLU HA 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1050, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1042,1043,1044,
 &end
#
# 119 ALA QB 121 PHE HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1042,1043,1044,
 &end
#
# 119 ALA QB 122 SER HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1083, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1042,1043,1044,
 &end
#
# 119 ALA QB 123 ARG HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1042,1043,1044,
 &end
#
# 120 GLU HN 120 GLU HB2 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1048,1052, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 120 GLU HN 120 GLU QG 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1048,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1055,1056,
 &end
#
# 120 GLU HN 121 PHE HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1048,1063, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 120 GLU HN 121 PHE QD 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1048,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1071,1079,
 &end
#
# 120 GLU HN 122 SER HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1048,1083, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 120 GLU HA 123 ARG QB 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1050,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1098,1099,
 &end
#
# 121 PHE HN 121 PHE HB2 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1063,1067, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 121 PHE HN 121 PHE QB 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat=1063,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2=1067,1068,
 &end
#
# 121 PHE HN 121 PHE QD 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1063,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1071,1079,
 &end
#
# 121 PHE HA 124 GLU QG 5.00  (#8-22)
 &rst
  ixpk= 8, nxpk= 0, iat=1065,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1125,1126,
 &end
#
# 121 PHE HA 132 GLN HE21 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1065,1266, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 121 PHE HA 132 GLN HE22 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1065,1267, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 121 PHE QD 135 LEU QD1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1071,1079,
 igr2=1320,1321,1322,
 &end
#
# 121 PHE QD 135 LEU QD2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1071,1079,
 igr2=1324,1325,1326,
 &end
#
# 121 PHE QD 136 TRP HE1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1340, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1071,1079,
 &end
#
# 121 PHE QE 135 LEU QD1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1073,1077,
 igr2=1320,1321,1322,
 &end
#
# 121 PHE QE 135 LEU QD2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1073,1077,
 igr2=1324,1325,1326,
 &end
#
# 121 PHE QE 136 TRP HE1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1340, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1073,1077,
 &end
#
# 121 PHE HZ 135 LEU HG 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1075,1318, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 121 PHE HZ 135 LEU QD1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1075,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1320,1321,1322,
 &end
#
# 121 PHE HZ 135 LEU QD2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1075,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1324,1325,1326,
 &end
#
# 122 SER HN 122 SER HB2 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1083,1087, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 122 SER HN 123 ARG HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1083,1094, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 122 SER HN 124 GLU HN 5.00  (#8-22 )
 &rst
  ixpk= 8, nxpk= 0, iat=1083,1118, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 122 SER HA 124 GLU HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1085,1118, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 123 ARG HN 123 ARG QB 3.30
 &rst
  ixpk= 8, nxpk= 0, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1098,1099,
 &end
#
# 123 ARG HN 123 ARG QG 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1101,1102,
 &end
#
# 123 ARG HN 123 ARG QD 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1104,1105,
 &end
#
# 123 ARG HN 124 GLU HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1094,1118, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 123 ARG QB 124 GLU HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1118, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1098,1099,
 &end
#
# 123 ARG QD 124 GLU HN 5.00  (#8-22 )
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1118, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1104,1105,
 &end
#
# 124 GLU HN 125 LYS HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1118,1133, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 124 GLU QG 125 LYS HN 5.00  (#10-26 )
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1125,1126,
 &end
#
# 125 LYS HN 125 LYS HB2 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1133,1137, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 125 LYS HN 125 LYS HB3 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1133,1138, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 125 LYS HN 126 GLN HN 3.30
 &rst
  ixpk= 8, nxpk= 0, iat=1133,1155, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 125 LYS HN 128 SER HB2 5.0 
 &rst
  ixpk= 8, nxpk= 0, iat=1133,1188, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 125 LYS HN 128 SER HB3 5.0 
 &rst
  ixpk= 8, nxpk= 0, iat=1133,1189, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 125 LYS HB2 132 GLN HE21 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1137,1266, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 125 LYS HB3 132 GLN HE21 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1138,1266, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 125 LYS HB2 132 GLN HE22 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1137,1267, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 125 LYS HB3 132 GLN HE22 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1138,1267, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 126 GLN HN 126 GLN QG 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1162,1163,
 &end
#
# 126 GLN HA 126 GLN HE21 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1157,1167, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 126 GLN HA 126 GLN HE22 5.00  (#9-13)
 &rst
  ixpk= 8, nxpk= 0, iat=1157,1168, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 126 GLN HA 127 ASP HA 6.00  (#9-7)
 &rst
  ixpk= 8, nxpk= 0, iat=1157,1174, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 128 SER HA 130 LEU HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1186,1217, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 128 SER HA 131 HIP HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1186,1236, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 128 SER HA 131 HIP HB2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1186,1240, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 128 SER HA 131 HIP HB3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1186,1241, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 129 LYS HN 129 LYS QB 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat=1195,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2=1199,1200,
 &end
#
# 129 LYS HN 130 LEU HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1195,1217, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 129 LYS HN 130 LEU QB 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1195,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1221,1222,
 &end
#
# 129 LYS HN 131 HIP HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1195,1236, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 129 LYS HA 131 HIP HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1197,1236, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 129 LYS HA 132 GLN HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1197,1254, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 129 LYS HG2 130 LEU HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1202,1217, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 129 LYS HG3 130 LEU HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1203,1217, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 130 LEU HA 132 GLN HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1219,1254, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 130 LEU HA 133 ARG HN 5.00  (#9-12. fro m3.3)
 &rst
  ixpk= 8, nxpk= 0, iat=1219,1271, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 130 LEU HA 133 ARG HB2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1219,1275, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 130 LEU HA 133 ARG HB2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1219,1275, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 130 LEU HA 134 VAL QQG 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1219,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1301,1302,1303,1305,1306,1307,
 &end
#
# 130 LEU HG 131 HIP HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1224,1236, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 130 LEU QQD 131 HIP HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1236, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1226,1227,1228,1230,1231,1232,
 &end
#
# 130 LEU QQD 133 ARG HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1271, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1226,1227,1228,1230,1231,1232,
 &end
#
# 130 LEU QQD 133 ARG HB2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1275, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1226,1227,1228,1230,1231,1232,
 &end
#
# 130 LEU QQD 133 ARG HB3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1276, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1226,1227,1228,1230,1231,1232,
 &end
#
# 130 LEU QQD 134 VAL QQG 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=1226,1227,1228,1230,1231,1232,
 igr2=1301,1302,1303,1305,1306,1307,
 &end
#
# 131 HIP HN 131 HIP HB2 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat=1236,1240, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 131 HIP HN 131 HIP HB3 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat=1236,1241, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 131 HIP HN 131 HIP HD2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1236,1250, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 131 HIP HN 132 GLN HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1236,1254, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 131 HIP HA 131 HIP HD2 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1238,1250, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 131 HIP HA 133 ARG HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1238,1271, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 131 HIP HA 134 VAL HB 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1238,1299, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 131 HIP HA 134 VAL QG1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1238,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1301,1302,1303,
 &end
#
# 131 HIP HA 134 VAL QG2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1238,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1305,1306,1307,
 &end
#
# 131 HIP HA 135 LEU HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1238,1311, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 131 HIP QB 132 GLN HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1240,1241,
 &end
#
# 131 HIP HD2 132 GLN HA 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1250,1256, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 131 HIP HD2 134 VAL QG1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1250,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1301,1302,1303,
 &end
#
# 131 HIP HD2 134 VAL QG2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1250,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1305,1306,1307,
 &end
#
# 131 HIP HD2 135 LEU QQD 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1250,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1320,1321,1322,1324,1325,1326,
 &end
#
# 131 HIP HE1 135 LEU QQD 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1246,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1320,1321,1322,1324,1325,1326,
 &end
#
# 132 GLN HN 132 GLN QE2 5.00  (#10-26)
 &rst
  ixpk= 8, nxpk= 0, iat=1254,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1266,1267,
 &end
#
# 132 GLN HA 135 LEU HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1256,1311, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 132 GLN HA 135 LEU HB2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1256,1315, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 132 GLN HA 135 LEU HB3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1256,1316, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 132 GLN HA 135 LEU QQD 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1256,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1320,1321,1322,1324,1325,1326,
 &end
#
# 132 GLN HA 136 TRP HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1256,1330, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 132 GLN QB 133 ARG HN 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1271, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1=1258,1259,
 &end
#
# 132 GLN QB 136 TRP HD1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1338, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1258,1259,
 &end
#
# 132 GLN QB 136 TRP HE1 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1340, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1258,1259,
 &end
#
# 132 GLN QG 136 TRP HE1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1340, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1261,1262,
 &end
#
# 132 GLN HE21 135 LEU QQD 5.00  (#10-26)
 &rst
  ixpk= 8, nxpk= 0, iat=1266,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1320,1321,1322,1324,1325,1326,
 &end
#
# 132 GLN HE22 135 LEU QQD 5.00  (#10-26)
 &rst
  ixpk= 8, nxpk= 0, iat=1267,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1320,1321,1322,1324,1325,1326,
 &end
#
# 133 ARG HN 133 ARG HD2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1271,1281, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 133 ARG HN 133 ARG HD3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1271,1282, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 133 ARG HN 134 VAL QQG 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1271,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1301,1302,1303,1305,1306,1307,
 &end
#
# 133 ARG HN 135 LEU HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1271,1311, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 133 ARG HN 136 TRP HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1271,1330, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 133 ARG HA 135 LEU HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1273,1311, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 133 ARG HA 136 TRP HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1273,1330, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 133 ARG HA 136 TRP HB2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1273,1334, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 133 ARG HA 136 TRP HB3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1273,1335, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 133 ARG HA 136 TRP HD1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1273,1338, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 133 ARG HB2 134 VAL QQG 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1275,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1301,1302,1303,1305,1306,1307,
 &end
#
# 133 ARG HB3 134 VAL QQG 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1276,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1301,1302,1303,1305,1306,1307,
 &end
#
# 133 ARG QB 135 LEU HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1275,1276,
 &end
#
# 134 VAL HN 134 VAL QG2 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2=1305,1306,1307,
 &end
#
# 134 VAL HN 135 LEU HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1295,1311, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 134 VAL HN 136 TRP HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1295,1330, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 134 VAL HA 136 TRP HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1297,1330, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 134 VAL HA 137 ARG HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1297,1354, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 134 VAL HA 137 ARG HB2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1297,1358, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 134 VAL HA 137 ARG HB3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1297,1359, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 134 VAL HA 138 LEU HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1297,1378, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 134 VAL HB 135 LEU HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1299,1311, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 134 VAL QG1 135 LEU HA 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1313, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1301,1302,1303,
 &end
#
# 134 VAL QG1 137 ARG HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1354, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1301,1302,1303,
 &end
#
# 134 VAL QG1 138 LEU QQD 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1301,1302,1303,
 igr2=1387,1388,1389,1391,1392,1393,
 &end
#
# 134 VAL QQG 138 LEU HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1301,1302,1303,1305,1306,1307,
 &end
#
# 134 VAL QQG 138 LEU HB2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1382, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1301,1302,1303,1305,1306,1307,
 &end
#
# 134 VAL QQG 138 LEU HB3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1301,1302,1303,1305,1306,1307,
 &end
#
# 135 LEU HN 135 LEU QB 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat=1311,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2=1315,1316,
 &end
#
# 135 LEU HN 136 TRP HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1311,1330, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 135 LEU HN 137 ARG HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1311,1354, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 135 LEU HA 138 LEU HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1313,1378, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 135 LEU HA 138 LEU HB2 5.00   (#8-8)
 &rst
  ixpk= 8, nxpk= 0, iat=1313,1382, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 135 LEU HA 138 LEU HB3 5.00    (#8-8)
 &rst
  ixpk= 8, nxpk= 0, iat=1313,1383, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 136 TRP HN 136 TRP HB2 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1330,1334, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 136 TRP HN 137 ARG HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1330,1354, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 136 TRP HA 136 TRP HE3 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat=1332,1349, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 136 TRP HA 139 ILE HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1332,1397, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 136 TRP HA 139 ILE HB 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1332,1401, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 136 TRP HA 139 ILE QG2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1332,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1403,1404,1405,
 &end
#
# 136 TRP HA 139 ILE QD1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1332,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1410,1411,1412,
 &end
#
# 136 TRP HA 140 LYS HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1332,1416, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 136 TRP HB2 136 TRP HD1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1334,1338, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 136 TRP HB2 136 TRP HE3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1334,1349, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 136 TRP HB3 136 TRP HD1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1335,1338, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 136 TRP HB3 136 TRP HE3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1335,1349, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 136 TRP QB 137 ARG HN 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1354, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1=1334,1335,
 &end
#
# 136 TRP HE3 139 ILE HB 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1349,1401, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 136 TRP HE3 139 ILE QG2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1349,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1403,1404,1405,
 &end
#
# 136 TRP HE3 139 ILE QD1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1349,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1410,1411,1412,
 &end
#
# 136 TRP HZ3 139 ILE HB 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1347,1401, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 136 TRP HZ3 139 ILE QG1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1347,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1407,1408,
 &end
#
# 137 ARG HN 137 ARG HB2 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1354,1358, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 137 ARG HN 137 ARG HB3 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1354,1359, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 137 ARG HN 138 LEU HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1354,1378, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 137 ARG HN 139 ILE HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1354,1397, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 137 ARG HA 137 ARG HD2 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1356,1364, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 137 ARG HA 137 ARG HD3 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1356,1365, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 137 ARG HA 140 LYS HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1356,1416, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 137 ARG HA 140 LYS QB 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1356,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1420,1421,
 &end
#
# 138 LEU HN 138 LEU QB 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat=1378,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2=1382,1383,
 &end
#
# 138 LEU HN 139 ILE HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1378,1397, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 138 LEU HA 141 GLU HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1380,1438, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 138 LEU HA 141 GLU HG2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1380,1445, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 138 LEU HA 141 GLU HG3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1380,1446, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 138 LEU QB 139 ILE HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1397, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1382,1383,
 &end
#
# 138 LEU QD1 142 ILE QD1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1387,1388,1389,
 igr2=1466,1467,1468,
 &end
#
# 138 LEU QD2 142 ILE QD1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1391,1392,1393,
 igr2=1466,1467,1468,
 &end
#
# 139 ILE HN 139 ILE HB 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat=1397,1401, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 139 ILE HN 139 ILE QG1 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1397,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1407,1408,
 &end
#
# 139 ILE HN 139 ILE QD1 5.00  (#8-10 )
 &rst
  ixpk= 8, nxpk= 0, iat=1397,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1410,1411,1412,
 &end
#
# 139 ILE HN 140 LYS HN 5.00
 &rst
  ixpk= 8, nxpk= 0, iat=1397,1416, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 139 ILE HN 142 ILE QD1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1397,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1466,1467,1468,
 &end
#
# 139 ILE HA 139 ILE QG2 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat=1399,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2=1403,1404,1405,
 &end
#
# 139 ILE HA 141 GLU HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1399,1438, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 139 ILE HA 142 ILE HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1399,1453, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 139 ILE HA 142 ILE HB 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1399,1457, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 139 ILE HA 142 ILE QD1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1399,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1466,1467,1468,
 &end
#
# 139 ILE HA 143 CYX HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1399,1472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 139 ILE HB 140 LYS HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1401,1416, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 139 ILE QG2 140 LYS HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1416, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1403,1404,1405,
 &end
#
# 139 ILE QD1 140 LYS HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1416, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1410,1411,1412,
 &end
#
# 140 LYS HN 140 LYS QB 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat=1416,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2=1420,1421,
 &end
#
# 140 LYS HN 140 LYS QD 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1416,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1426,1427,
 &end
#
# 140 LYS HN 141 GLU HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1416,1438, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 140 LYS HN 142 ILE HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1416,1453, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 140 LYS HA 143 CYX HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1418,1472, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 140 LYS HA 143 CYX HB2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1418,1476, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 140 LYS HA 143 CYX HB3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1418,1477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 140 LYS HA 144 SER HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1418,1482, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 140 LYS QB 144 SER HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1482, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1420,1421,
 &end
#
# 140 LYS QD 141 GLU HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1438, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1426,1427,
 &end
#
# 141 GLU HN 142 ILE HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1438,1453, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 141 GLU HA 143 CYX HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1440,1472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 141 GLU HA 144 SER HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1440,1482, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 141 GLU HA 144 SER QB 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1440,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1486,1487,
 &end
#
# 141 GLU HA 145 ALA QB 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1440,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1497,1498,1499,
 &end
#
# 142 ILE HN 142 ILE HB 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat=1453,1457, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 142 ILE HN 142 ILE QD1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1453,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1466,1467,1468,
 &end
#
# 142 ILE HN 143 CYX HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1453,1472, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 142 ILE HN 144 SER HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1453,1482, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 142 ILE HN 145 ALA QB 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1453,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1497,1498,1499,
 &end
#
# 142 ILE HA 142 ILE QG2 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat=1455,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2=1459,1460,1461,
 &end
#
# 142 ILE HA 144 SER HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1455,1482, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 142 ILE HA 145 ALA HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1455,1493, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 142 ILE HA 145 ALA QB 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1455,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2=1497,1498,1499,
 &end
#
# 142 ILE HB 143 CYX HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1457,1472, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 142 ILE QG2 143 CYX HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1472, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1459,1460,1461,
 &end
#
# 142 ILE QG2 143 CYX HA 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1474, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1459,1460,1461,
 &end
#
# 142 ILE QG2 146 LYS HE2 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1516, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1459,1460,1461,
 &end
#
# 142 ILE QG2 146 LYS HE3 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1517, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1459,1460,1461,
 &end
#
# 142 ILE HG12 143 CYX HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1463,1472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 142 ILE HG13 143 CYX HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1464,1472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 142 ILE QD1 143 CYX HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1472, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1466,1467,1468,
 &end
#
# 142 ILE QD1 146 LYS QE 5.00  (#9-14)
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1466,1467,1468,
 igr2=1516,1517,
 &end
#
# 143 CYX HN 143 CYX QB 2.70  (#9-14 )
 &rst
  ixpk= 8, nxpk= 0, iat=1472,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2=1476,1477,
 &end
#
# 143 CYX HN 144 SER HN 3.30  (#9-14 changed from 2.70 )
 &rst
  ixpk= 8, nxpk= 0, iat=1472,1482, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 143 CYX HN 145 ALA HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1472,1493, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 143 CYX HA 146 LYS QD 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1513,1514,
 &end
#
# 144 SER HN 145 ALA HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1482,1493, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 144 SER HN 145 ALA QB 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1482,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1497,1498,1499,
 &end
#
# 144 SER HN 146 LYS HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1482,1503, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 145 ALA HN 146 LYS HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1493,1503, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 146 LYS HA 147 HIP HN 2.70  (#9-13 changed from 3.3 )
 &rst
  ixpk= 8, nxpk= 0, iat=1505,1525, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 147 HIP HN 147 HIP QB 2.7  (#9-13 )
 &rst
  ixpk= 8, nxpk= 0, iat=1525,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2=1529,1530,
 &end
#
# 147 HIP HN 151 TRP HZ3 5.00  (#changed from 3.30. 8-11)
 &rst
  ixpk= 8, nxpk= 0, iat=1525,1602, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 147 HIP HA 151 TRP HE3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1527,1604, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 147 HIP HA 151 TRP HZ3 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1527,1602, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 147 HIP HA 151 TRP HH2 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1527,1600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 147 HIP HB2 147 HIP HD2 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1529,1539, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 147 HIP HB2 151 TRP HE3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1529,1604, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 147 HIP HB2 151 TRP HZ3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1529,1602, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 147 HIP HB3 147 HIP HD2 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1530,1539, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 147 HIP HB3 151 TRP HE3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1530,1604, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 147 HIP HB3 151 TRP HZ3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1530,1602, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 148 CYX HA 149 ASP HN 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1545,1553, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 148 CYX HA 150 PHE HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1545,1565, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 148 CYX HA 151 TRP HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1545,1585, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 148 CYX HB2 150 PHE HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1547,1565, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 148 CYX HB2 150 PHE QE 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1547,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1575,1579,
 &end
#
# 148 CYX HB2 151 TRP HD1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1547,1593, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 148 CYX HB2 151 TRP HE1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1547,1595, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 148 CYX HB3 150 PHE HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1548,1565, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 148 CYX HB3 150 PHE QE 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1548,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1575,1579,
 &end
#
# 148 CYX HB3 151 TRP HD1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1548,1593, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 148 CYX HB3 151 TRP HE1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1548,1595, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 148 CYX QB 151 TRP HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1585, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1547,1548,
 &end
#
# 148 CYX QB 151 TRP HE3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1604, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1547,1548,
 &end
#
# 149 ASP HA 151 TRP HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1555,1585, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 150 PHE QE 151 TRP HE1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1595, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1575,1579,
 &end
#
# 151 TRP HN 151 TRP QB 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat=1585,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2=1589,1590,
 &end
#
# 151 TRP HN 151 TRP HD1 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1585,1593, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 151 TRP HN 151 TRP HE3 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1585,1604, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 151 TRP HA 151 TRP HD1 3.30 
 &rst
  ixpk= 8, nxpk= 0, iat=1587,1593, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 151 TRP HA 151 TRP HD1 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat=1587,1593, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 151 TRP HA 152 LEU HN 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat=1587,1609, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 151 TRP HA 152 LEU HG 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1587,1616, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 151 TRP HD1 152 LEU HN 5.00 
 &rst
  ixpk= 8, nxpk= 0, iat=1593,1609, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 152 LEU HA 153 GLU HN 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat=1611,1628, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 152 LEU QB 153 GLU HN 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1628, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1=1613,1614,
 &end
#
# 155 GLY HN 155 GLY QA 2.70  (#9-12)
 &rst
  ixpk= 8, nxpk= 0, iat=1667,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2=1669,1670,
 &end
#
# 155 GLY QA 156 ALA HN 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1674, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1=1669,1670,
 &end
#
# 156 ALA HA 157 ALA HN 2.70 
 &rst
  ixpk= 8, nxpk= 0, iat=1676,1684, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  trans-omega constraint for residue 52
 &rst iat=29,27,25,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 150, rk3 = 150,  &end
#
#  trans-omega constraint for residue 53
 &rst iat=45,43,41,29, &end
#
#  trans-omega constraint for residue 54
 &rst iat=55,53,51,45, &end
#
#  trans-omega constraint for residue 55
 &rst iat=70,68,66,55, &end
#
#  trans-omega constraint for residue 56
 &rst iat=84,82,80,70, &end
#
#  trans-omega constraint for residue 57
 &rst iat=116,106,104,84, &end
#
#  trans-omega constraint for residue 58
 &rst iat=122,120,118,116, &end
#
#  trans-omega constraint for residue 59
 &rst iat=129,127,125,122, &end
#
#  trans-omega constraint for residue 60
 &rst iat=139,137,135,129, &end
#
#  trans-omega constraint for residue 61
 &rst iat=159,157,155,139, &end
#
#  trans-omega constraint for residue 62
 &rst iat=178,176,174,159, &end
#
#  trans-omega constraint for residue 63
 &rst iat=200,198,196,178, &end
#
#  trans-omega constraint for residue 64
 &rst iat=217,215,213,200, &end
#
#  trans-omega constraint for residue 65
 &rst iat=224,222,220,217, &end
#
#  trans-omega constraint for residue 66
 &rst iat=248,246,244,224, &end
#
#  trans-omega constraint for residue 67
 &rst iat=270,268,266,248, &end
#
#  trans-omega constraint for residue 68
 &rst iat=289,287,285,270, &end
#
#  trans-omega constraint for residue 69
 &rst iat=301,299,297,289, &end
#
#  trans-omega constraint for residue 70
 &rst iat=320,318,316,301, &end
#
#  trans-omega constraint for residue 71
 &rst iat=332,330,328,320, &end
#
#  trans-omega constraint for residue 72
 &rst iat=352,350,348,332, &end
#
#  trans-omega constraint for residue 73
 &rst iat=359,357,355,352, &end
#
#  trans-omega constraint for residue 74
 &rst iat=369,367,365,359, &end
#
#  trans-omega constraint for residue 75
 &rst iat=384,382,380,369, &end
#
#  trans-omega constraint for residue 76
 &rst iat=391,389,387,384, &end
#
#  trans-omega constraint for residue 77
 &rst iat=405,403,401,391, &end
#
#  trans-omega constraint for residue 78
 &rst iat=429,427,425,405, &end
#
#  trans-omega constraint for residue 79
 &rst iat=450,448,446,429, &end
#
#  trans-omega constraint for residue 80
 &rst iat=471,469,467,450, &end
#
#  trans-omega constraint for residue 81
 &rst iat=481,479,477,471, &end
#
#  trans-omega constraint for residue 82
 &rst iat=491,489,487,481, &end
#
#  trans-omega constraint for residue 83
 &rst iat=505,503,501,491, &end
#
#  trans-omega constraint for residue 84
 &rst iat=526,524,522,505, &end
#
#  trans-omega constraint for residue 85
 &rst iat=550,548,546,526, &end
#
#  trans-omega constraint for residue 86
 &rst iat=567,565,563,550, &end
#
#  trans-omega constraint for residue 87
 &rst iat=595,585,583,567, &end
#
#  trans-omega constraint for residue 88
 &rst iat=601,599,597,595, &end
#
#  trans-omega constraint for residue 89
 &rst iat=613,611,609,601, &end
#
#  trans-omega constraint for residue 90
 &rst iat=620,618,616,613, &end
#
#  trans-omega constraint for residue 91
 &rst iat=639,637,635,620, &end
#
#  trans-omega constraint for residue 92
 &rst iat=660,658,656,639, &end
#
#  trans-omega constraint for residue 93
 &rst iat=681,679,677,660, &end
#
#  trans-omega constraint for residue 94
 &rst iat=696,694,692,681, &end
#
#  trans-omega constraint for residue 95
 &rst iat=703,701,699,696, &end
#
#  trans-omega constraint for residue 96
 &rst iat=713,711,709,703, &end
#
#  trans-omega constraint for residue 97
 &rst iat=724,722,720,713, &end
#
#  trans-omega constraint for residue 98
 &rst iat=739,737,735,724, &end
#
#  trans-omega constraint for residue 99
 &rst iat=749,747,745,739, &end
#
#  trans-omega constraint for residue 100
 &rst iat=763,761,759,749, &end
#
#  trans-omega constraint for residue 101
 &rst iat=779,777,775,763, &end
#
#  trans-omega constraint for residue 102
 &rst iat=793,791,789,779, &end
#
#  trans-omega constraint for residue 103
 &rst iat=815,813,811,793, &end
#
#  trans-omega constraint for residue 104
 &rst iat=830,828,826,815, &end
#
#  trans-omega constraint for residue 105
 &rst iat=847,845,843,830, &end
#
#  trans-omega constraint for residue 106
 &rst iat=866,864,862,847, &end
#
#  trans-omega constraint for residue 107
 &rst iat=882,880,878,866, &end
#
#  trans-omega constraint for residue 108
 &rst iat=896,894,892,882, &end
#
#  trans-omega constraint for residue 109
 &rst iat=907,905,903,896, &end
#
#  trans-omega constraint for residue 110
 &rst iat=917,915,913,907, &end
#
#  trans-omega constraint for residue 111
 &rst iat=933,931,929,917, &end
#
#  trans-omega constraint for residue 112
 &rst iat=947,945,943,933, &end
#
#  trans-omega constraint for residue 113
 &rst iat=957,955,953,947, &end
#
#  trans-omega constraint for residue 114
 &rst iat=971,969,967,957, &end
#
#  trans-omega constraint for residue 115
 &rst iat=988,986,984,971, &end
#
#  trans-omega constraint for residue 116
 &rst iat=998,996,994,988, &end
#
#  trans-omega constraint for residue 117
 &rst iat=1008,1006,1004,998, &end
#
#  trans-omega constraint for residue 118
 &rst iat=1022,1020,1018,1008, &end
#
#  trans-omega constraint for residue 119
 &rst iat=1039,1037,1035,1022, &end
#
#  trans-omega constraint for residue 120
 &rst iat=1049,1047,1045,1039, &end
#
#  trans-omega constraint for residue 121
 &rst iat=1064,1062,1060,1049, &end
#
#  trans-omega constraint for residue 122
 &rst iat=1084,1082,1080,1064, &end
#
#  trans-omega constraint for residue 123
 &rst iat=1095,1093,1091,1084, &end
#
#  trans-omega constraint for residue 124
 &rst iat=1119,1117,1115,1095, &end
#
#  trans-omega constraint for residue 125
 &rst iat=1134,1132,1130,1119, &end
#
#  trans-omega constraint for residue 126
 &rst iat=1156,1154,1152,1134, &end
#
#  trans-omega constraint for residue 127
 &rst iat=1173,1171,1169,1156, &end
#
#  trans-omega constraint for residue 128
 &rst iat=1185,1183,1181,1173, &end
#
#  trans-omega constraint for residue 129
 &rst iat=1196,1194,1192,1185, &end
#
#  trans-omega constraint for residue 130
 &rst iat=1218,1216,1214,1196, &end
#
#  trans-omega constraint for residue 131
 &rst iat=1237,1235,1233,1218, &end
#
#  trans-omega constraint for residue 132
 &rst iat=1255,1253,1251,1237, &end
#
#  trans-omega constraint for residue 133
 &rst iat=1272,1270,1268,1255, &end
#
#  trans-omega constraint for residue 134
 &rst iat=1296,1294,1292,1272, &end
#
#  trans-omega constraint for residue 135
 &rst iat=1312,1310,1308,1296, &end
#
#  trans-omega constraint for residue 136
 &rst iat=1331,1329,1327,1312, &end
#
#  trans-omega constraint for residue 137
 &rst iat=1355,1353,1351,1331, &end
#
#  trans-omega constraint for residue 138
 &rst iat=1379,1377,1375,1355, &end
#
#  trans-omega constraint for residue 139
 &rst iat=1398,1396,1394,1379, &end
#
#  trans-omega constraint for residue 140
 &rst iat=1417,1415,1413,1398, &end
#
#  trans-omega constraint for residue 141
 &rst iat=1439,1437,1435,1417, &end
#
#  trans-omega constraint for residue 142
 &rst iat=1454,1452,1450,1439, &end
#
#  trans-omega constraint for residue 143
 &rst iat=1473,1471,1469,1454, &end
#
#  trans-omega constraint for residue 144
 &rst iat=1483,1481,1479,1473, &end
#
#  trans-omega constraint for residue 145
 &rst iat=1494,1492,1490,1483, &end
#
#  trans-omega constraint for residue 146
 &rst iat=1504,1502,1500,1494, &end
#
#  trans-omega constraint for residue 147
 &rst iat=1526,1524,1522,1504, &end
#
#  trans-omega constraint for residue 148
 &rst iat=1544,1542,1540,1526, &end
#
#  trans-omega constraint for residue 149
 &rst iat=1554,1552,1550,1544, &end
#
#  trans-omega constraint for residue 150
 &rst iat=1566,1564,1562,1554, &end
#
#  trans-omega constraint for residue 151
 &rst iat=1586,1584,1582,1566, &end
#
#  trans-omega constraint for residue 152
 &rst iat=1610,1608,1606,1586, &end
#
#  trans-omega constraint for residue 153
 &rst iat=1629,1627,1625,1610, &end
#
#  trans-omega constraint for residue 154
 &rst iat=1644,1642,1640,1629, &end
#
#  trans-omega constraint for residue 155
 &rst iat=1668,1666,1664,1644, &end
#
#  trans-omega constraint for residue 156
 &rst iat=1675,1673,1671,1668, &end
#
#  trans-omega constraint for residue 157
 &rst iat=1685,1683,1681,1675, &end
# 1693 atoms read from pdb file dpl_for_rst.pdb.
# 52 VAL PHI:  (51 ARG C)-(52 VAL N)-(52 VAL CA)-(52 VAL C) -180.0   0.0
 &rst     iat =    25,    27,    29,    41,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
   rk2 =   50.0, rk3 =   50.0,    &end

# 52 VAL PHI:  (51 ARG C)-(52 VAL N)-(52 VAL CA)-(52 VAL C) -180.0   0.0
 &rst     iat =    25,    27,    29,    41,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 53 ALA PHI:  (52 VAL C)-(53 ALA N)-(53 ALA CA)-(53 ALA C) -180.0   0.0
 &rst     iat =    41,    43,    45,    51,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 53 ALA PHI:  (52 VAL C)-(53 ALA N)-(53 ALA CA)-(53 ALA C) -180.0   0.0
 &rst     iat =    41,    43,    45,    51,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 54 GLU PHI:  (53 ALA C)-(54 GLU N)-(54 GLU CA)-(54 GLU C) -180.0   0.0
 &rst     iat =    51,    53,    55,    66,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 54 GLU PHI:  (53 ALA C)-(54 GLU N)-(54 GLU CA)-(54 GLU C) -180.0   0.0
 &rst     iat =    51,    53,    55,    66,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 55 ASN PHI:  (54 GLU C)-(55 ASN N)-(55 ASN CA)-(55 ASN C) -170.0 -70.0
 &rst     iat =    66,    68,    70,    80,
   r1 = -171.0, r2 = -170.0, r3 = -70.0, r4 = -69.0,
 &end

# 55 ASN PSI:  (55 ASN N)-(55 ASN CA)-(55 ASN C)-(56 ARG N)  60.0 180.0
 &rst     iat =    68,    70,    80,    82,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 55 ASN PSI:  (55 ASN N)-(55 ASN CA)-(55 ASN C)-(56 ARG N)  60.0 180.0
 &rst     iat =    68,    70,    80,    82,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 55 ASN PSI:  (55 ASN N)-(55 ASN CA)-(55 ASN C)-(56 ARG N)  60.0 180.0
 &rst     iat =    68,    70,    80,    82,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 56 ARG PHI:  (55 ASN C)-(56 ARG N)-(56 ARG CA)-(56 ARG C) -170.0 -70.0
 &rst     iat =    80,    82,    84,   104,
   r1 = -171.0, r2 = -170.0, r3 = -70.0, r4 = -69.0,
 &end

# 56 ARG PSI:  (56 ARG N)-(56 ARG CA)-(56 ARG C)-(57 PRO N)  60.0 180.0
 &rst     iat =    82,    84,   104,   106,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 56 ARG PSI:  (56 ARG N)-(56 ARG CA)-(56 ARG C)-(57 PRO N)  60.0 180.0
 &rst     iat =    82,    84,   104,   106,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 57 PRO PHI:  (56 ARG C)-(57 PRO N)-(57 PRO CA)-(57 PRO C) -180.0   0.0
 &rst     iat =   104,   106,   116,   118,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 57 PRO PHI:  (56 ARG C)-(57 PRO N)-(57 PRO CA)-(57 PRO C) -180.0   0.0
 &rst     iat =   104,   106,   116,   118,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 59 ALA PHI:  (58 GLY C)-(59 ALA N)-(59 ALA CA)-(59 ALA C) -180.0   0.0
 &rst     iat =   125,   127,   129,   135,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 59 ALA PHI:  (58 GLY C)-(59 ALA N)-(59 ALA CA)-(59 ALA C) -180.0   0.0
 &rst     iat =   125,   127,   129,   135,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 59 ALA PHI:  (58 GLY C)-(59 ALA N)-(59 ALA CA)-(59 ALA C) -180.0   0.0
 &rst     iat =   125,   127,   129,   135,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 59 ALA PHI:  (58 GLY C)-(59 ALA N)-(59 ALA CA)-(59 ALA C) -180.0   0.0
 &rst     iat =   125,   127,   129,   135,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 59 ALA PHI:  (58 GLY C)-(59 ALA N)-(59 ALA CA)-(59 ALA C) -180.0   0.0
 &rst     iat =   125,   127,   129,   135,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 59 ALA PHI:  (58 GLY C)-(59 ALA N)-(59 ALA CA)-(59 ALA C) -180.0   0.0
 &rst     iat =   125,   127,   129,   135,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 61 ILE PHI:  (60 PHE C)-(61 ILE N)-(61 ILE CA)-(61 ILE C) -170.0 -70.0
 &rst     iat =   155,   157,   159,   174,
   r1 = -171.0, r2 = -170.0, r3 = -70.0, r4 = -69.0,
 &end

# 61 ILE PSI:  (61 ILE N)-(61 ILE CA)-(61 ILE C)-(62 LYS N)  60.0 180.0
 &rst     iat =   157,   159,   174,   176,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 61 ILE CHI1:  (61 ILE N)-(61 ILE CA)-(61 ILE CB)-(61 ILE CG1) -100.0 -20.0
 &rst     iat =   157,   159,   161,   167,
   r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0,
 &end

# 61 ILE CHI1:  (61 ILE N)-(61 ILE CA)-(61 ILE CB)-(61 ILE CG1) -100.0 -20.0
 &rst     iat =   157,   159,   161,   167,
   r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0,
 &end

# 62 LYS PHI:  (61 ILE C)-(62 LYS N)-(62 LYS CA)-(62 LYS C) -170.0 -70.0
 &rst     iat =   174,   176,   178,   196,
   r1 = -171.0, r2 = -170.0, r3 = -70.0, r4 = -69.0,
 &end

# 62 LYS PSI:  (62 LYS N)-(62 LYS CA)-(62 LYS C)-(63 GLN N)  60.0 180.0
 &rst     iat =   176,   178,   196,   198,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 62 LYS PSI:  (62 LYS N)-(62 LYS CA)-(62 LYS C)-(63 GLN N)  60.0 180.0
 &rst     iat =   176,   178,   196,   198,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 62 LYS PSI:  (62 LYS N)-(62 LYS CA)-(62 LYS C)-(63 GLN N)  60.0 180.0
 &rst     iat =   176,   178,   196,   198,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 63 GLN PHI:  (62 LYS C)-(63 GLN N)-(63 GLN CA)-(63 GLN C) -120.0 -20.0
 &rst     iat =   196,   198,   200,   213,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 63 GLN PSI:  (63 GLN N)-(63 GLN CA)-(63 GLN C)-(64 GLY N) -80.0  20.0
 &rst     iat =   198,   200,   213,   215,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 63 GLN PSI:  (63 GLN N)-(63 GLN CA)-(63 GLN C)-(64 GLY N) -80.0  20.0
 &rst     iat =   198,   200,   213,   215,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 65 ARG PHI:  (64 GLY C)-(65 ARG N)-(65 ARG CA)-(65 ARG C) -170.0 -70.0
 &rst     iat =   220,   222,   224,   244,
   r1 = -171.0, r2 = -170.0, r3 = -70.0, r4 = -69.0,
 &end

# 65 ARG PSI:  (65 ARG N)-(65 ARG CA)-(65 ARG C)-(66 LYS N)  60.0 180.0
 &rst     iat =   222,   224,   244,   246,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 65 ARG CHI1:  (65 ARG N)-(65 ARG CA)-(65 ARG CB)-(65 ARG CG) 140.0 220.0
 &rst     iat =   222,   224,   226,   229,
   r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0,
 &end

# 65 ARG CHI1:  (65 ARG N)-(65 ARG CA)-(65 ARG CB)-(65 ARG CG) 140.0 220.0
 &rst     iat =   222,   224,   226,   229,
   r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0,
 &end

# 66 LYS PHI:  (65 ARG C)-(66 LYS N)-(66 LYS CA)-(66 LYS C) -180.0   0.0
 &rst     iat =   244,   246,   248,   266,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 66 LYS CHI1:  (66 LYS N)-(66 LYS CA)-(66 LYS CB)-(66 LYS CG) 140.0 220.0
 &rst     iat =   246,   248,   250,   253,
   r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0,
 &end

# 66 LYS CHI1:  (66 LYS N)-(66 LYS CA)-(66 LYS CB)-(66 LYS CG) 140.0 220.0
 &rst     iat =   246,   248,   250,   253,
   r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0,
 &end

# 67 LEU PHI:  (66 LYS C)-(67 LEU N)-(67 LEU CA)-(67 LEU C) -170.0 -70.0
 &rst     iat =   266,   268,   270,   285,
   r1 = -171.0, r2 = -170.0, r3 = -70.0, r4 = -69.0,
 &end

# 67 LEU PSI:  (67 LEU N)-(67 LEU CA)-(67 LEU C)-(68 ASP N)  60.0 180.0
 &rst     iat =   268,   270,   285,   287,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 67 LEU PSI:  (67 LEU N)-(67 LEU CA)-(67 LEU C)-(68 ASP N)  60.0 180.0
 &rst     iat =   268,   270,   285,   287,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 67 LEU PSI:  (67 LEU N)-(67 LEU CA)-(67 LEU C)-(68 ASP N)  60.0 180.0
 &rst     iat =   268,   270,   285,   287,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 67 LEU PSI:  (67 LEU N)-(67 LEU CA)-(67 LEU C)-(68 ASP N)  60.0 180.0
 &rst     iat =   268,   270,   285,   287,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 67 LEU PSI:  (67 LEU N)-(67 LEU CA)-(67 LEU C)-(68 ASP N)  60.0 180.0
 &rst     iat =   268,   270,   285,   287,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 69 ILE PHI:  (68 ASP C)-(69 ILE N)-(69 ILE CA)-(69 ILE C) -170.0 -70.0
 &rst     iat =   297,   299,   301,   316,
   r1 = -171.0, r2 = -170.0, r3 = -70.0, r4 = -69.0,
 &end

# 69 ILE PSI:  (69 ILE N)-(69 ILE CA)-(69 ILE C)-(70 ASP N)  60.0 180.0
 &rst     iat =   299,   301,   316,   318,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 69 ILE CHI1:  (69 ILE N)-(69 ILE CA)-(69 ILE CB)-(69 ILE CG1) -100.0 -20.0
 &rst     iat =   299,   301,   303,   309,
   r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0,
 &end

# 69 ILE CHI1:  (69 ILE N)-(69 ILE CA)-(69 ILE CB)-(69 ILE CG1) -100.0 -20.0
 &rst     iat =   299,   301,   303,   309,
   r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0,
 &end

# 70 ASP PHI:  (69 ILE C)-(70 ASP N)-(70 ASP CA)-(70 ASP C) -170.0 -70.0
 &rst     iat =   316,   318,   320,   328,
   r1 = -171.0, r2 = -170.0, r3 = -70.0, r4 = -69.0,
 &end

# 70 ASP PSI:  (70 ASP N)-(70 ASP CA)-(70 ASP C)-(71 PHE N)  60.0 180.0
 &rst     iat =   318,   320,   328,   330,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 70 ASP CHI1:  (70 ASP N)-(70 ASP CA)-(70 ASP CB)-(70 ASP CG) 140.0 220.0
 &rst     iat =   318,   320,   322,   325,
   r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0,
 &end

# 70 ASP CHI1:  (70 ASP N)-(70 ASP CA)-(70 ASP CB)-(70 ASP CG) 140.0 220.0
 &rst     iat =   318,   320,   322,   325,
   r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0,
 &end

# 71 PHE PHI:  (70 ASP C)-(71 PHE N)-(71 PHE CA)-(71 PHE C) -180.0   0.0
 &rst     iat =   328,   330,   332,   348,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 71 PHE PHI:  (70 ASP C)-(71 PHE N)-(71 PHE CA)-(71 PHE C) -180.0   0.0
 &rst     iat =   328,   330,   332,   348,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 71 PHE PHI:  (70 ASP C)-(71 PHE N)-(71 PHE CA)-(71 PHE C) -180.0   0.0
 &rst     iat =   328,   330,   332,   348,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 73 ALA PHI:  (72 GLY C)-(73 ALA N)-(73 ALA CA)-(73 ALA C) -120.0 -20.0
 &rst     iat =   355,   357,   359,   365,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 73 ALA PSI:  (73 ALA N)-(73 ALA CA)-(73 ALA C)-(74 GLU N) -80.0  20.0
 &rst     iat =   357,   359,   365,   367,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 74 GLU PHI:  (73 ALA C)-(74 GLU N)-(74 GLU CA)-(74 GLU C) -120.0 -20.0
 &rst     iat =   365,   367,   369,   380,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 74 GLU PSI:  (74 GLU N)-(74 GLU CA)-(74 GLU C)-(75 GLY N) -80.0  20.0
 &rst     iat =   367,   369,   380,   382,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 75 GLY PHI:  (74 GLU C)-(75 GLY N)-(75 GLY CA)-(75 GLY C) -120.0 -20.0
 &rst     iat =   380,   382,   384,   387,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 75 GLY PSI:  (75 GLY N)-(75 GLY CA)-(75 GLY C)-(76 ASN N) -80.0  20.0
 &rst     iat =   382,   384,   387,   389,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 76 ASN PHI:  (75 GLY C)-(76 ASN N)-(76 ASN CA)-(76 ASN C) -120.0 -20.0
 &rst     iat =   387,   389,   391,   401,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 76 ASN PSI:  (76 ASN N)-(76 ASN CA)-(76 ASN C)-(77 ARG N) -80.0  20.0
 &rst     iat =   389,   391,   401,   403,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 77 ARG PHI:  (76 ASN C)-(77 ARG N)-(77 ARG CA)-(77 ARG C) -120.0 -20.0
 &rst     iat =   401,   403,   405,   425,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 77 ARG PSI:  (77 ARG N)-(77 ARG CA)-(77 ARG C)-(78 TYR N) -80.0  20.0
 &rst     iat =   403,   405,   425,   427,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 78 TYR PHI:  (77 ARG C)-(78 TYR N)-(78 TYR CA)-(78 TYR C) -120.0 -20.0
 &rst     iat =   425,   427,   429,   446,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 78 TYR PSI:  (78 TYR N)-(78 TYR CA)-(78 TYR C)-(79 TYR N) -80.0  20.0
 &rst     iat =   427,   429,   446,   448,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 79 TYR PHI:  (78 TYR C)-(79 TYR N)-(79 TYR CA)-(79 TYR C) -120.0 -20.0
 &rst     iat =   446,   448,   450,   467,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 79 TYR PSI:  (79 TYR N)-(79 TYR CA)-(79 TYR C)-(80 ALA N) -80.0  20.0
 &rst     iat =   448,   450,   467,   469,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 80 ALA PHI:  (79 TYR C)-(80 ALA N)-(80 ALA CA)-(80 ALA C) -120.0 -20.0
 &rst     iat =   467,   469,   471,   477,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 80 ALA PSI:  (80 ALA N)-(80 ALA CA)-(80 ALA C)-(81 ALA N) -80.0  20.0
 &rst     iat =   469,   471,   477,   479,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 81 ALA PHI:  (80 ALA C)-(81 ALA N)-(81 ALA CA)-(81 ALA C) -120.0 -20.0
 &rst     iat =   477,   479,   481,   487,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 81 ALA PSI:  (81 ALA N)-(81 ALA CA)-(81 ALA C)-(82 ASN N) -80.0  20.0
 &rst     iat =   479,   481,   487,   489,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 81 ALA PSI:  (81 ALA N)-(81 ALA CA)-(81 ALA C)-(82 ASN N) -80.0  20.0
 &rst     iat =   479,   481,   487,   489,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 82 ASN PHI:  (81 ALA C)-(82 ASN N)-(82 ASN CA)-(82 ASN C) -180.0   0.0
 &rst     iat =   487,   489,   491,   501,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 82 ASN CHI1:  (82 ASN N)-(82 ASN CA)-(82 ASN CB)-(82 ASN CG) -100.0 -20.0
 &rst     iat =   489,   491,   493,   496,
   r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0,
 &end

# 82 ASN CHI1:  (82 ASN N)-(82 ASN CA)-(82 ASN CB)-(82 ASN CG) -100.0 -20.0
 &rst     iat =   489,   491,   493,   496,
   r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0,
 &end

# 83 TYR PHI:  (82 ASN C)-(83 TYR N)-(83 TYR CA)-(83 TYR C) -120.0 -20.0
 &rst     iat =   501,   503,   505,   522,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 83 TYR PSI:  (83 TYR N)-(83 TYR CA)-(83 TYR C)-(84 TRP N) -80.0  20.0
 &rst     iat =   503,   505,   522,   524,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 83 TYR PSI:  (83 TYR N)-(83 TYR CA)-(83 TYR C)-(84 TRP N) -80.0  20.0
 &rst     iat =   503,   505,   522,   524,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 84 TRP PHI:  (83 TYR C)-(84 TRP N)-(84 TRP CA)-(84 TRP C) -120.0 -20.0
 &rst     iat =   522,   524,   526,   546,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 84 TRP PSI:  (84 TRP N)-(84 TRP CA)-(84 TRP C)-(85 GLN N) -80.0  20.0
 &rst     iat =   524,   526,   546,   548,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 84 TRP CHI1:  (84 TRP N)-(84 TRP CA)-(84 TRP CB)-(84 TRP CG)  20.0 100.0
 &rst     iat =   524,   526,   528,   531,
   r1 =  19.0, r2 =  20.0, r3 = 100.0, r4 = 101.0,
 &end

# 84 TRP CHI1:  (84 TRP N)-(84 TRP CA)-(84 TRP CB)-(84 TRP CG)  20.0 100.0
 &rst     iat =   524,   526,   528,   531,
   r1 =  19.0, r2 =  20.0, r3 = 100.0, r4 = 101.0,
 &end

# 86 PHE PHI:  (85 GLN C)-(86 PHE N)-(86 PHE CA)-(86 PHE C) -180.0   0.0
 &rst     iat =   563,   565,   567,   583,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 86 PHE PHI:  (85 GLN C)-(86 PHE N)-(86 PHE CA)-(86 PHE C) -180.0   0.0
 &rst     iat =   563,   565,   567,   583,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 87 PRO PHI:  (86 PHE C)-(87 PRO N)-(87 PRO CA)-(87 PRO C) -180.0   0.0
 &rst     iat =   583,   585,   595,   597,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 87 PRO PHI:  (86 PHE C)-(87 PRO N)-(87 PRO CA)-(87 PRO C) -180.0   0.0
 &rst     iat =   583,   585,   595,   597,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 88 ASP PHI:  (87 PRO C)-(88 ASP N)-(88 ASP CA)-(88 ASP C) -180.0   0.0
 &rst     iat =   597,   599,   601,   609,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 88 ASP PHI:  (87 PRO C)-(88 ASP N)-(88 ASP CA)-(88 ASP C) -180.0   0.0
 &rst     iat =   597,   599,   601,   609,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 90 ILE PHI:  (89 GLY C)-(90 ILE N)-(90 ILE CA)-(90 ILE C) -170.0 -70.0
 &rst     iat =   616,   618,   620,   635,
   r1 = -171.0, r2 = -170.0, r3 = -70.0, r4 = -69.0,
 &end

# 90 ILE PSI:  (90 ILE N)-(90 ILE CA)-(90 ILE C)-(91 TYR N)  60.0 180.0
 &rst     iat =   618,   620,   635,   637,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 90 ILE CHI1:  (90 ILE N)-(90 ILE CA)-(90 ILE CB)-(90 ILE CG1) -100.0 -20.0
 &rst     iat =   618,   620,   622,   628,
   r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0,
 &end

# 90 ILE CHI1:  (90 ILE N)-(90 ILE CA)-(90 ILE CB)-(90 ILE CG1) -100.0 -20.0
 &rst     iat =   618,   620,   622,   628,
   r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0,
 &end

# 90 ILE CHI1:  (90 ILE N)-(90 ILE CA)-(90 ILE CB)-(90 ILE CG1) -100.0 -20.0
 &rst     iat =   618,   620,   622,   628,
   r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0,
 &end

# 90 ILE CHI1:  (90 ILE N)-(90 ILE CA)-(90 ILE CB)-(90 ILE CG1) -100.0 -20.0
 &rst     iat =   618,   620,   622,   628,
   r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0,
 &end

# 92 TYR PHI:  (91 TYR C)-(92 TYR N)-(92 TYR CA)-(92 TYR C) -180.0   0.0
 &rst     iat =   656,   658,   660,   677,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 92 TYR PHI:  (91 TYR C)-(92 TYR N)-(92 TYR CA)-(92 TYR C) -180.0   0.0
 &rst     iat =   656,   658,   660,   677,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 93 GLU PHI:  (92 TYR C)-(93 GLU N)-(93 GLU CA)-(93 GLU C) -170.0 -70.0
 &rst     iat =   677,   679,   681,   692,
   r1 = -171.0, r2 = -170.0, r3 = -70.0, r4 = -69.0,
 &end

# 93 GLU PSI:  (93 GLU N)-(93 GLU CA)-(93 GLU C)-(94 GLY N)  60.0 180.0
 &rst     iat =   679,   681,   692,   694,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 93 GLU PSI:  (93 GLU N)-(93 GLU CA)-(93 GLU C)-(94 GLY N)  60.0 180.0
 &rst     iat =   679,   681,   692,   694,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 97 GLU PHI:  (96 SER C)-(97 GLU N)-(97 GLU CA)-(97 GLU C) -180.0   0.0
 &rst     iat =   720,   722,   724,   735,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 97 GLU PHI:  (96 SER C)-(97 GLU N)-(97 GLU CA)-(97 GLU C) -180.0   0.0
 &rst     iat =   720,   722,   724,   735,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 98 ALA PHI:  (97 GLU C)-(98 ALA N)-(98 ALA CA)-(98 ALA C) -180.0   0.0
 &rst     iat =   735,   737,   739,   745,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 98 ALA PHI:  (97 GLU C)-(98 ALA N)-(98 ALA CA)-(98 ALA C) -180.0   0.0
 &rst     iat =   735,   737,   739,   745,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 100 VAL PHI:  (99 ASN C)-(100 VAL N)-(100 VAL CA)-(100 VAL C) -180.0   0.0
 &rst     iat =   759,   761,   763,   775,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 100 VAL PHI:  (99 ASN C)-(100 VAL N)-(100 VAL CA)-(100 VAL C) -180.0   0.0
 &rst     iat =   759,   761,   763,   775,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 101 THR PHI:  (100 VAL C)-(101 THR N)-(101 THR CA)-(101 THR C) -170.0 -70.0
 &rst     iat =   775,   777,   779,   789,
   r1 = -171.0, r2 = -170.0, r3 = -70.0, r4 = -69.0,
 &end

# 101 THR PSI:  (101 THR N)-(101 THR CA)-(101 THR C)-(102 LYS N)  60.0 180.0
 &rst     iat =   777,   779,   789,   791,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 101 THR PSI:  (101 THR N)-(101 THR CA)-(101 THR C)-(102 LYS N)  60.0 180.0
 &rst     iat =   777,   779,   789,   791,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 102 LYS PHI:  (101 THR C)-(102 LYS N)-(102 LYS CA)-(102 LYS C) -120.0 -20.0
 &rst     iat =   789,   791,   793,   811,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 102 LYS PSI:  (102 LYS N)-(102 LYS CA)-(102 LYS C)-(103 GLU N) -80.0  20.0
 &rst     iat =   791,   793,   811,   813,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 103 GLU PHI:  (102 LYS C)-(103 GLU N)-(103 GLU CA)-(103 GLU C) -120.0 -20.0
 &rst     iat =   811,   813,   815,   826,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 103 GLU PSI:  (103 GLU N)-(103 GLU CA)-(103 GLU C)-(104 MET N) -80.0  20.0
 &rst     iat =   813,   815,   826,   828,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 104 MET PHI:  (103 GLU C)-(104 MET N)-(104 MET CA)-(104 MET C) -120.0 -20.0
 &rst     iat =   826,   828,   830,   843,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 104 MET PSI:  (104 MET N)-(104 MET CA)-(104 MET C)-(105 LEU N) -80.0  20.0
 &rst     iat =   828,   830,   843,   845,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 105 LEU PHI:  (104 MET C)-(105 LEU N)-(105 LEU CA)-(105 LEU C) -120.0 -20.0
 &rst     iat =   843,   845,   847,   862,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 105 LEU PSI:  (105 LEU N)-(105 LEU CA)-(105 LEU C)-(106 VAL N) -80.0  20.0
 &rst     iat =   845,   847,   862,   864,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 106 VAL PHI:  (105 LEU C)-(106 VAL N)-(106 VAL CA)-(106 VAL C) -120.0 -20.0
 &rst     iat =   862,   864,   866,   878,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 106 VAL PSI:  (106 VAL N)-(106 VAL CA)-(106 VAL C)-(107 THR N) -80.0  20.0
 &rst     iat =   864,   866,   878,   880,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 107 THR PHI:  (106 VAL C)-(107 THR N)-(107 THR CA)-(107 THR C) -120.0 -20.0
 &rst     iat =   878,   880,   882,   892,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 107 THR PSI:  (107 THR N)-(107 THR CA)-(107 THR C)-(108 SER N) -80.0  20.0
 &rst     iat =   880,   882,   892,   894,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 108 SER PHI:  (107 THR C)-(108 SER N)-(108 SER CA)-(108 SER C) -120.0 -20.0
 &rst     iat =   892,   894,   896,   903,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 108 SER PSI:  (108 SER N)-(108 SER CA)-(108 SER C)-(109 CYX N) -80.0  20.0
 &rst     iat =   894,   896,   903,   905,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 109 CYX PHI:  (108 SER C)-(109 CYX N)-(109 CYX CA)-(109 CYX C) -120.0 -20.0
 &rst     iat =   903,   905,   907,   913,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 109 CYX PSI:  (109 CYX N)-(109 CYX CA)-(109 CYX C)-(110 VAL N) -80.0  20.0
 &rst     iat =   905,   907,   913,   915,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 110 VAL PHI:  (109 CYX C)-(110 VAL N)-(110 VAL CA)-(110 VAL C) -120.0 -20.0
 &rst     iat =   913,   915,   917,   929,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 110 VAL PSI:  (110 VAL N)-(110 VAL CA)-(110 VAL C)-(111 ASN N) -80.0  20.0
 &rst     iat =   915,   917,   929,   931,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 111 ASN PHI:  (110 VAL C)-(111 ASN N)-(111 ASN CA)-(111 ASN C) -120.0 -20.0
 &rst     iat =   929,   931,   933,   943,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 111 ASN PSI:  (111 ASN N)-(111 ASN CA)-(111 ASN C)-(112 ALA N) -80.0  20.0
 &rst     iat =   931,   933,   943,   945,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 112 ALA PHI:  (111 ASN C)-(112 ALA N)-(112 ALA CA)-(112 ALA C) -120.0 -20.0
 &rst     iat =   943,   945,   947,   953,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 112 ALA PSI:  (112 ALA N)-(112 ALA CA)-(112 ALA C)-(113 THR N) -80.0  20.0
 &rst     iat =   945,   947,   953,   955,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 113 THR PHI:  (112 ALA C)-(113 THR N)-(113 THR CA)-(113 THR C) -120.0 -20.0
 &rst     iat =   953,   955,   957,   967,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 113 THR PSI:  (113 THR N)-(113 THR CA)-(113 THR C)-(114 GLN N) -80.0  20.0
 &rst     iat =   955,   957,   967,   969,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 114 GLN PHI:  (113 THR C)-(114 GLN N)-(114 GLN CA)-(114 GLN C) -120.0 -20.0
 &rst     iat =   967,   969,   971,   984,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 114 GLN PSI:  (114 GLN N)-(114 GLN CA)-(114 GLN C)-(115 ALA N) -80.0  20.0
 &rst     iat =   969,   971,   984,   986,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 115 ALA PHI:  (114 GLN C)-(115 ALA N)-(115 ALA CA)-(115 ALA C) -120.0 -20.0
 &rst     iat =   984,   986,   988,   994,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 115 ALA PSI:  (115 ALA N)-(115 ALA CA)-(115 ALA C)-(116 ALA N) -80.0  20.0
 &rst     iat =   986,   988,   994,   996,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 116 ALA PHI:  (115 ALA C)-(116 ALA N)-(116 ALA CA)-(116 ALA C) -120.0 -20.0
 &rst     iat =   994,   996,   998,  1004,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 116 ALA PSI:  (116 ALA N)-(116 ALA CA)-(116 ALA C)-(117 ASN N) -80.0  20.0
 &rst     iat =   996,   998,  1004,  1006,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 116 ALA PSI:  (116 ALA N)-(116 ALA CA)-(116 ALA C)-(117 ASN N) -80.0  20.0
 &rst     iat =   996,   998,  1004,  1006,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 116 ALA PSI:  (116 ALA N)-(116 ALA CA)-(116 ALA C)-(117 ASN N) -80.0  20.0
 &rst     iat =   996,   998,  1004,  1006,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 116 ALA PSI:  (116 ALA N)-(116 ALA CA)-(116 ALA C)-(117 ASN N) -80.0  20.0
 &rst     iat =   996,   998,  1004,  1006,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 116 ALA PSI:  (116 ALA N)-(116 ALA CA)-(116 ALA C)-(117 ASN N) -80.0  20.0
 &rst     iat =   996,   998,  1004,  1006,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 118 GLN PHI:  (117 ASN C)-(118 GLN N)-(118 GLN CA)-(118 GLN C) -120.0 -20.0
 &rst     iat =  1018,  1020,  1022,  1035,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 118 GLN PSI:  (118 GLN N)-(118 GLN CA)-(118 GLN C)-(119 ALA N) -80.0  20.0
 &rst     iat =  1020,  1022,  1035,  1037,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 119 ALA PHI:  (118 GLN C)-(119 ALA N)-(119 ALA CA)-(119 ALA C) -120.0 -20.0
 &rst     iat =  1035,  1037,  1039,  1045,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 119 ALA PSI:  (119 ALA N)-(119 ALA CA)-(119 ALA C)-(120 GLU N) -80.0  20.0
 &rst     iat =  1037,  1039,  1045,  1047,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 120 GLU PHI:  (119 ALA C)-(120 GLU N)-(120 GLU CA)-(120 GLU C) -120.0 -20.0
 &rst     iat =  1045,  1047,  1049,  1060,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 120 GLU PSI:  (120 GLU N)-(120 GLU CA)-(120 GLU C)-(121 PHE N) -80.0  20.0
 &rst     iat =  1047,  1049,  1060,  1062,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 121 PHE PHI:  (120 GLU C)-(121 PHE N)-(121 PHE CA)-(121 PHE C) -120.0 -20.0
 &rst     iat =  1060,  1062,  1064,  1080,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 121 PHE PSI:  (121 PHE N)-(121 PHE CA)-(121 PHE C)-(122 SER N) -80.0  20.0
 &rst     iat =  1062,  1064,  1080,  1082,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 121 PHE PSI:  (121 PHE N)-(121 PHE CA)-(121 PHE C)-(122 SER N) -80.0  20.0
 &rst     iat =  1062,  1064,  1080,  1082,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 122 SER PHI:  (121 PHE C)-(122 SER N)-(122 SER CA)-(122 SER C) -180.0   0.0
 &rst     iat =  1080,  1082,  1084,  1091,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 122 SER PHI:  (121 PHE C)-(122 SER N)-(122 SER CA)-(122 SER C) -180.0   0.0
 &rst     iat =  1080,  1082,  1084,  1091,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 123 ARG PHI:  (122 SER C)-(123 ARG N)-(123 ARG CA)-(123 ARG C) -120.0 -20.0
 &rst     iat =  1091,  1093,  1095,  1115,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 123 ARG PSI:  (123 ARG N)-(123 ARG CA)-(123 ARG C)-(124 GLU N) -80.0  20.0
 &rst     iat =  1093,  1095,  1115,  1117,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 123 ARG PSI:  (123 ARG N)-(123 ARG CA)-(123 ARG C)-(124 GLU N) -80.0  20.0
 &rst     iat =  1093,  1095,  1115,  1117,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 124 GLU PHI:  (123 ARG C)-(124 GLU N)-(124 GLU CA)-(124 GLU C) -180.0   0.0
 &rst     iat =  1115,  1117,  1119,  1130,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 124 GLU PHI:  (123 ARG C)-(124 GLU N)-(124 GLU CA)-(124 GLU C) -180.0   0.0
 &rst     iat =  1115,  1117,  1119,  1130,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 126 GLN PHI:  (125 LYS C)-(126 GLN N)-(126 GLN CA)-(126 GLN C) -180.0   0.0
 &rst     iat =  1152,  1154,  1156,  1169,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 126 GLN PHI:  (125 LYS C)-(126 GLN N)-(126 GLN CA)-(126 GLN C) -180.0   0.0
 &rst     iat =  1152,  1154,  1156,  1169,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 127 ASP PHI:  (126 GLN C)-(127 ASP N)-(127 ASP CA)-(127 ASP C) -180.0   0.0
 &rst     iat =  1169,  1171,  1173,  1181,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 127 ASP PHI:  (126 GLN C)-(127 ASP N)-(127 ASP CA)-(127 ASP C) -180.0   0.0
 &rst     iat =  1169,  1171,  1173,  1181,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 127 ASP PHI:  (126 GLN C)-(127 ASP N)-(127 ASP CA)-(127 ASP C) -180.0   0.0
 &rst     iat =  1169,  1171,  1173,  1181,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 127 ASP PHI:  (126 GLN C)-(127 ASP N)-(127 ASP CA)-(127 ASP C) -180.0   0.0
 &rst     iat =  1169,  1171,  1173,  1181,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 128 SER PHI:  (127 ASP C)-(128 SER N)-(128 SER CA)-(128 SER C) -180.0   0.0
 &rst     iat =  1181,  1183,  1185,  1192,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 129 LYS PHI:  (128 SER C)-(129 LYS N)-(129 LYS CA)-(129 LYS C) -120.0 -20.0
 &rst     iat =  1192,  1194,  1196,  1214,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 129 LYS PSI:  (129 LYS N)-(129 LYS CA)-(129 LYS C)-(130 LEU N) -80.0  20.0
 &rst     iat =  1194,  1196,  1214,  1216,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 130 LEU PHI:  (129 LYS C)-(130 LEU N)-(130 LEU CA)-(130 LEU C) -120.0 -20.0
 &rst     iat =  1214,  1216,  1218,  1233,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 130 LEU PSI:  (130 LEU N)-(130 LEU CA)-(130 LEU C)-(131 HIP N) -80.0  20.0
 &rst     iat =  1216,  1218,  1233,  1235,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 131 HIP PHI:  (130 LEU C)-(131 HIP N)-(131 HIP CA)-(131 HIP C) -120.0 -20.0
 &rst     iat =  1233,  1235,  1237,  1251,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 131 HIP PSI:  (131 HIP N)-(131 HIP CA)-(131 HIP C)-(132 GLN N) -80.0  20.0
 &rst     iat =  1235,  1237,  1251,  1253,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 132 GLN PHI:  (131 HIP C)-(132 GLN N)-(132 GLN CA)-(132 GLN C) -120.0 -20.0
 &rst     iat =  1251,  1253,  1255,  1268,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 132 GLN PSI:  (132 GLN N)-(132 GLN CA)-(132 GLN C)-(133 ARG N) -80.0  20.0
 &rst     iat =  1253,  1255,  1268,  1270,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 133 ARG PHI:  (132 GLN C)-(133 ARG N)-(133 ARG CA)-(133 ARG C) -120.0 -20.0
 &rst     iat =  1268,  1270,  1272,  1292,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 133 ARG PSI:  (133 ARG N)-(133 ARG CA)-(133 ARG C)-(134 VAL N) -80.0  20.0
 &rst     iat =  1270,  1272,  1292,  1294,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 134 VAL PHI:  (133 ARG C)-(134 VAL N)-(134 VAL CA)-(134 VAL C) -120.0 -20.0
 &rst     iat =  1292,  1294,  1296,  1308,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 134 VAL PSI:  (134 VAL N)-(134 VAL CA)-(134 VAL C)-(135 LEU N) -80.0  20.0
 &rst     iat =  1294,  1296,  1308,  1310,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 135 LEU PHI:  (134 VAL C)-(135 LEU N)-(135 LEU CA)-(135 LEU C) -120.0 -20.0
 &rst     iat =  1308,  1310,  1312,  1327,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 135 LEU PSI:  (135 LEU N)-(135 LEU CA)-(135 LEU C)-(136 TRP N) -80.0  20.0
 &rst     iat =  1310,  1312,  1327,  1329,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 136 TRP PHI:  (135 LEU C)-(136 TRP N)-(136 TRP CA)-(136 TRP C) -120.0 -20.0
 &rst     iat =  1327,  1329,  1331,  1351,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 136 TRP PSI:  (136 TRP N)-(136 TRP CA)-(136 TRP C)-(137 ARG N) -80.0  20.0
 &rst     iat =  1329,  1331,  1351,  1353,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 137 ARG PHI:  (136 TRP C)-(137 ARG N)-(137 ARG CA)-(137 ARG C) -120.0 -20.0
 &rst     iat =  1351,  1353,  1355,  1375,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 137 ARG PSI:  (137 ARG N)-(137 ARG CA)-(137 ARG C)-(138 LEU N) -80.0  20.0
 &rst     iat =  1353,  1355,  1375,  1377,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 138 LEU PHI:  (137 ARG C)-(138 LEU N)-(138 LEU CA)-(138 LEU C) -120.0 -20.0
 &rst     iat =  1375,  1377,  1379,  1394,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 138 LEU PSI:  (138 LEU N)-(138 LEU CA)-(138 LEU C)-(139 ILE N) -80.0  20.0
 &rst     iat =  1377,  1379,  1394,  1396,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 139 ILE PHI:  (138 LEU C)-(139 ILE N)-(139 ILE CA)-(139 ILE C) -120.0 -20.0
 &rst     iat =  1394,  1396,  1398,  1413,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 139 ILE PSI:  (139 ILE N)-(139 ILE CA)-(139 ILE C)-(140 LYS N) -80.0  20.0
 &rst     iat =  1396,  1398,  1413,  1415,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 140 LYS PHI:  (139 ILE C)-(140 LYS N)-(140 LYS CA)-(140 LYS C) -120.0 -20.0
 &rst     iat =  1413,  1415,  1417,  1435,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 140 LYS PSI:  (140 LYS N)-(140 LYS CA)-(140 LYS C)-(141 GLU N) -80.0  20.0
 &rst     iat =  1415,  1417,  1435,  1437,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 141 GLU PHI:  (140 LYS C)-(141 GLU N)-(141 GLU CA)-(141 GLU C) -120.0 -20.0
 &rst     iat =  1435,  1437,  1439,  1450,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 141 GLU PSI:  (141 GLU N)-(141 GLU CA)-(141 GLU C)-(142 ILE N) -80.0  20.0
 &rst     iat =  1437,  1439,  1450,  1452,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 142 ILE PHI:  (141 GLU C)-(142 ILE N)-(142 ILE CA)-(142 ILE C) -120.0 -20.0
 &rst     iat =  1450,  1452,  1454,  1469,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 142 ILE PSI:  (142 ILE N)-(142 ILE CA)-(142 ILE C)-(143 CYX N) -80.0  20.0
 &rst     iat =  1452,  1454,  1469,  1471,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 143 CYX PHI:  (142 ILE C)-(143 CYX N)-(143 CYX CA)-(143 CYX C) -120.0 -20.0
 &rst     iat =  1469,  1471,  1473,  1479,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 143 CYX PSI:  (143 CYX N)-(143 CYX CA)-(143 CYX C)-(144 SER N) -80.0  20.0
 &rst     iat =  1471,  1473,  1479,  1481,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 144 SER PHI:  (143 CYX C)-(144 SER N)-(144 SER CA)-(144 SER C) -120.0 -20.0
 &rst     iat =  1479,  1481,  1483,  1490,
   r1 = -121.0, r2 = -120.0, r3 = -20.0, r4 = -19.0,
 &end

# 144 SER PSI:  (144 SER N)-(144 SER CA)-(144 SER C)-(145 ALA N) -80.0  20.0
 &rst     iat =  1481,  1483,  1490,  1492,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 144 SER PSI:  (144 SER N)-(144 SER CA)-(144 SER C)-(145 ALA N) -80.0  20.0
 &rst     iat =  1481,  1483,  1490,  1492,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 145 ALA PHI:  (144 SER C)-(145 ALA N)-(145 ALA CA)-(145 ALA C) -180.0   0.0
 &rst     iat =  1490,  1492,  1494,  1500,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 145 ALA PHI:  (144 SER C)-(145 ALA N)-(145 ALA CA)-(145 ALA C) -180.0   0.0
 &rst     iat =  1490,  1492,  1494,  1500,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 147 HIP PHI:  (146 LYS C)-(147 HIP N)-(147 HIP CA)-(147 HIP C) -180.0   0.0
 &rst     iat =  1522,  1524,  1526,  1540,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 147 HIP PHI:  (146 LYS C)-(147 HIP N)-(147 HIP CA)-(147 HIP C) -180.0   0.0
 &rst     iat =  1522,  1524,  1526,  1540,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 149 ASP PHI:  (148 CYX C)-(149 ASP N)-(149 ASP CA)-(149 ASP C) -180.0   0.0
 &rst     iat =  1550,  1552,  1554,  1562,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 151 TRP PHI:  (150 PHE C)-(151 TRP N)-(151 TRP CA)-(151 TRP C) -180.0   0.0
 &rst     iat =  1582,  1584,  1586,  1606,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 152 LEU PHI:  (151 TRP C)-(152 LEU N)-(152 LEU CA)-(152 LEU C) -180.0   0.0
 &rst     iat =  1606,  1608,  1610,  1625,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 153 GLU PHI:  (152 LEU C)-(153 GLU N)-(153 GLU CA)-(153 GLU C) -180.0   0.0
 &rst     iat =  1625,  1627,  1629,  1640,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 154 ARG PHI:  (153 GLU C)-(154 ARG N)-(154 ARG CA)-(154 ARG C) -180.0   0.0
 &rst     iat =  1640,  1642,  1644,  1664,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 155 GLY PHI:  (154 ARG C)-(155 GLY N)-(155 GLY CA)-(155 GLY C) -180.0   0.0
 &rst     iat =  1664,  1666,  1668,  1671,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 156 ALA PHI:  (155 GLY C)-(156 ALA N)-(156 ALA CA)-(156 ALA C) -180.0   0.0
 &rst     iat =  1671,  1673,  1675,  1681,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 156 ALA PHI:  (155 GLY C)-(156 ALA N)-(156 ALA CA)-(156 ALA C) -180.0   0.0
 &rst     iat =  1671,  1673,  1675,  1681,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 156 ALA PHI:  (155 GLY C)-(156 ALA N)-(156 ALA CA)-(156 ALA C) -180.0   0.0
 &rst     iat =  1671,  1673,  1675,  1681,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 156 ALA PHI:  (155 GLY C)-(156 ALA N)-(156 ALA CA)-(156 ALA C) -180.0   0.0
 &rst     iat =  1671,  1673,  1675,  1681,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 156 ALA PHI:  (155 GLY C)-(156 ALA N)-(156 ALA CA)-(156 ALA C) -180.0   0.0
 &rst     iat =  1671,  1673,  1675,  1681,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ARG   1          H1        ARG   1   2.134  -3.149  -2.005
    2   2H    ARG   1          H2        ARG   1   3.707  -3.157  -2.470
    3   3H    ARG   1          H3        ARG   1   3.006  -1.767  -1.972
    4    HA   ARG   1           HA       ARG   1   3.216  -1.748  -4.366
    5   1HB   ARG   1          2HB       ARG   1   1.486  -4.260  -4.198
    6   2HB   ARG   1          3HB       ARG   1   1.765  -3.333  -5.675
    7   1HG   ARG   1          2HG       ARG   1   4.203  -3.757  -5.510
    8   2HG   ARG   1          3HG       ARG   1   3.935  -4.730  -4.048
    9   1HD   ARG   1          2HD       ARG   1   2.487  -6.270  -5.334
   10   2HD   ARG   1          3HD       ARG   1   2.774  -5.313  -6.803
   11    HE   ARG   1           HE       ARG   1   5.312  -6.019  -5.791
   12   1HH1  ARG   1          1HH2      ARG   1   2.588  -7.759  -7.123
   13   2HH1  ARG   1          2HH2      ARG   1   3.596  -9.062  -7.702
   14   1HH2  ARG   1          1HH1      ARG   1   6.529  -7.689  -6.541
   15   2HH2  ARG   1          2HH1      ARG   1   5.766  -9.013  -7.378
   16    H    VAL   2           H        VAL   2   1.917  -0.284  -5.330
   17    HA   VAL   2           HA       VAL   2  -0.342   0.826  -3.925
   18    HB   VAL   2           HB       VAL   2   1.214   2.128  -5.320
   19   1HG1  VAL   2          1HG1      VAL   2   1.000   2.253  -7.739
   20   2HG1  VAL   2          2HG1      VAL   2   1.465   0.612  -7.271
   21   3HG1  VAL   2          3HG1      VAL   2  -0.210   0.959  -7.745
   22   1HG2  VAL   2          1HG2      VAL   2  -0.398   3.659  -6.253
   23   2HG2  VAL   2          2HG2      VAL   2  -1.661   2.418  -6.267
   24   3HG2  VAL   2          3HG2      VAL   2  -1.014   3.023  -4.722
   25    H    ALA   3           H        ALA   3  -2.532   0.827  -4.415
   26    HA   ALA   3           HA       ALA   3  -3.616  -1.659  -5.405
   27   1HB   ALA   3          1HB       ALA   3  -5.724  -0.719  -4.580
   28   2HB   ALA   3          2HB       ALA   3  -4.429  -0.455  -3.402
   29   3HB   ALA   3          3HB       ALA   3  -4.980   0.888  -4.433
   30    H    GLU   4           H        GLU   4  -2.342  -0.290  -7.560
   31    HA   GLU   4           HA       GLU   4  -4.466   0.543  -9.450
   32   1HB   GLU   4          2HB       GLU   4  -1.483   0.112  -9.751
   33   2HB   GLU   4          3HB       GLU   4  -2.541   0.473 -11.115
   34   1HG   GLU   4          2HG       GLU   4  -2.306   2.280  -8.668
   35   2HG   GLU   4          3HG       GLU   4  -1.323   2.455 -10.113
   36    H    ASN   5           H        ASN   5  -2.526  -2.225  -8.767
   37    HA   ASN   5           HA       ASN   5  -3.945  -3.950 -10.743
   38   1HB   ASN   5          2HB       ASN   5  -1.442  -4.086 -10.269
   39   2HB   ASN   5          3HB       ASN   5  -1.847  -4.778  -8.700
   40   1HD2  ASN   5          2HD2      ASN   5  -3.296  -6.782  -8.828
   41   2HD2  ASN   5          1HD2      ASN   5  -3.002  -7.882 -10.174
   42    H    ARG   6           H        ARG   6  -5.839  -3.029  -9.478
   43    HA   ARG   6           HA       ARG   6  -6.665  -4.543  -7.053
   44   1HB   ARG   6          2HB       ARG   6  -8.628  -2.959  -7.083
   45   2HB   ARG   6          3HB       ARG   6  -7.050  -2.211  -6.867
   46   1HG   ARG   6          2HG       ARG   6  -7.020  -1.545  -9.243
   47   2HG   ARG   6          3HG       ARG   6  -8.593  -2.318  -9.495
   48   1HD   ARG   6          2HD       ARG   6  -9.672  -0.721  -8.032
   49   2HD   ARG   6          3HD       ARG   6  -8.124  -0.087  -7.471
   50    HE   ARG   6           HE       ARG   6  -9.396   0.434 -10.122
   51   1HH1  ARG   6          1HH2      ARG   6  -6.529   1.016  -8.179
   52   2HH1  ARG   6          2HH2      ARG   6  -6.017   2.309  -9.245
   53   1HH2  ARG   6          1HH1      ARG   6  -8.690   1.992 -11.374
   54   2HH2  ARG   6          2HH1      ARG   6  -7.227   2.880 -10.960
   55    HA   PRO   7           HA       PRO   7  -9.016  -7.526  -9.220
   56   1HB   PRO   7          2HB       PRO   7 -11.334  -7.836  -7.718
   57   2HB   PRO   7          3HB       PRO   7  -9.729  -8.511  -7.307
   58   1HG   PRO   7          2HG       PRO   7 -10.993  -5.947  -6.306
   59   2HG   PRO   7          3HG       PRO   7 -10.148  -7.213  -5.358
   60   1HD   PRO   7          2HD       PRO   7  -8.882  -4.946  -6.087
   61   2HD   PRO   7          3HD       PRO   7  -8.023  -6.512  -6.158
   62    H    GLY   8           H        GLY   8  -9.838  -7.200 -11.102
   63   1HA   GLY   8          2HA       GLY   8 -11.767  -6.610 -12.551
   64   2HA   GLY   8          3HA       GLY   8 -11.866  -5.085 -11.675
   65    H    ALA   9           H        ALA   9  -8.641  -5.246 -11.738
   66    HA   ALA   9           HA       ALA   9  -8.431  -3.213 -13.673
   67   1HB   ALA   9          1HB       ALA   9  -5.983  -3.432 -13.291
   68   2HB   ALA   9          2HB       ALA   9  -6.912  -3.405 -11.786
   69   3HB   ALA   9          3HB       ALA   9  -6.267  -4.943 -12.404
   70    H    PHE  10           H        PHE  10  -7.978  -3.087 -15.785
   71    HA   PHE  10           HA       PHE  10  -8.032  -5.298 -17.590
   72   1HB   PHE  10          2HB       PHE  10  -6.911  -2.483 -17.863
   73   2HB   PHE  10          3HB       PHE  10  -7.074  -3.577 -19.198
   74    HD1  PHE  10           HD1      PHE  10  -8.149  -0.830 -19.151
   75    HD2  PHE  10           HD2      PHE  10 -10.023  -4.558 -18.015
   76    HE1  PHE  10           HE1      PHE  10 -10.358   0.058 -19.839
   77    HE2  PHE  10           HE2      PHE  10 -12.208  -3.651 -18.683
   78    HZ   PHE  10           HZ       PHE  10 -12.382  -1.350 -19.624
   79    H    ILE  11           H        ILE  11  -6.512  -6.400 -18.747
   80    HA   ILE  11           HA       ILE  11  -3.610  -5.858 -18.283
   81    HB   ILE  11           HB       ILE  11  -4.879  -8.570 -18.787
   82   1HG1  ILE  11          2HG1      ILE  11  -3.490  -7.567 -16.258
   83   2HG1  ILE  11          3HG1      ILE  11  -5.237  -7.665 -16.443
   84   1HG2  ILE  11          1HG2      ILE  11  -1.980  -7.758 -18.254
   85   2HG2  ILE  11          2HG2      ILE  11  -2.569  -9.415 -18.509
   86   3HG2  ILE  11          3HG2      ILE  11  -2.631  -8.259 -19.827
   87   1HD1  ILE  11          1HD1      ILE  11  -5.085 -10.119 -16.805
   88   2HD1  ILE  11          2HD1      ILE  11  -3.335 -10.036 -16.490
   89   3HD1  ILE  11          3HD1      ILE  11  -4.479  -9.606 -15.218
   90    H    LYS  12           H        LYS  12  -3.297  -4.594 -19.950
   91    HA   LYS  12           HA       LYS  12  -4.373  -5.187 -22.675
   92   1HB   LYS  12          2HB       LYS  12  -2.879  -2.750 -21.631
   93   2HB   LYS  12          3HB       LYS  12  -3.503  -2.968 -23.272
   94   1HG   LYS  12          2HG       LYS  12  -5.819  -3.236 -22.280
   95   2HG   LYS  12          3HG       LYS  12  -5.139  -2.788 -20.708
   96   1HD   LYS  12          2HD       LYS  12  -4.316  -0.636 -21.807
   97   2HD   LYS  12          3HD       LYS  12  -5.194  -1.133 -23.269
   98   1HE   LYS  12          2HE       LYS  12  -7.287  -1.301 -21.772
   99   2HE   LYS  12          3HE       LYS  12  -6.331  -0.493 -20.517
  100   1HZ   LYS  12          1HZ       LYS  12  -7.084   0.573 -23.174
  101   2HZ   LYS  12          2HZ       LYS  12  -7.508   1.195 -21.705
  102   3HZ   LYS  12          3HZ       LYS  12  -5.970   1.314 -22.217
  103    H    GLN  13           H        GLN  13  -3.197  -6.984 -23.208
  104    HA   GLN  13           HA       GLN  13  -0.261  -6.874 -23.514
  105   1HB   GLN  13          2HB       GLN  13  -2.257  -8.953 -24.520
  106   2HB   GLN  13          3HB       GLN  13  -0.499  -9.066 -24.573
  107   1HG   GLN  13          2HG       GLN  13  -0.641  -8.674 -21.966
  108   2HG   GLN  13          3HG       GLN  13  -2.318  -9.191 -22.155
  109   1HE2  GLN  13          2HE2      GLN  13  -2.689 -11.477 -22.995
  110   2HE2  GLN  13          1HE2      GLN  13  -1.361 -12.621 -22.782
  111    H    GLY  14           H        GLY  14  -3.080  -6.050 -25.378
  112   1HA   GLY  14          2HA       GLY  14  -3.220  -4.818 -27.345
  113   2HA   GLY  14          3HA       GLY  14  -1.473  -4.936 -27.536
  114    H    ARG  15           H        ARG  15  -2.761  -7.969 -27.034
  115    HA   ARG  15           HA       ARG  15  -2.305  -9.001 -29.701
  116   1HB   ARG  15          2HB       ARG  15  -1.885 -10.267 -27.614
  117   2HB   ARG  15          3HB       ARG  15  -3.588 -10.178 -27.199
  118   1HG   ARG  15          2HG       ARG  15  -4.226 -11.638 -29.009
  119   2HG   ARG  15          3HG       ARG  15  -2.621 -11.524 -29.748
  120   1HD   ARG  15          2HD       ARG  15  -2.929 -13.675 -28.638
  121   2HD   ARG  15          3HD       ARG  15  -1.620 -12.747 -27.888
  122    HE   ARG  15           HE       ARG  15  -3.980 -12.186 -26.400
  123   1HH1  ARG  15          1HH1      ARG  15  -2.127 -15.097 -27.022
  124   2HH1  ARG  15          2HH1      ARG  15  -2.535 -15.767 -25.462
  125   1HH2  ARG  15          1HH2      ARG  15  -4.269 -12.967 -24.438
  126   2HH2  ARG  15          2HH2      ARG  15  -3.784 -14.607 -24.039
  127    H    LYS  16           H        LYS  16  -3.684  -9.147 -31.354
  128    HA   LYS  16           HA       LYS  16  -6.491  -8.347 -31.197
  129   1HB   LYS  16          2HB       LYS  16  -5.008  -8.043 -33.243
  130   2HB   LYS  16          3HB       LYS  16  -5.088  -9.794 -33.484
  131   1HG   LYS  16          2HG       LYS  16  -7.612  -9.573 -33.503
  132   2HG   LYS  16          3HG       LYS  16  -7.429  -7.824 -33.454
  133   1HD   LYS  16          2HD       LYS  16  -6.310  -7.856 -35.626
  134   2HD   LYS  16          3HD       LYS  16  -6.284  -9.626 -35.645
  135   1HE   LYS  16          2HE       LYS  16  -8.823  -7.929 -35.564
  136   2HE   LYS  16          3HE       LYS  16  -8.111  -8.585 -37.042
  137   1HZ   LYS  16          1HZ       LYS  16  -9.124 -10.242 -34.776
  138   2HZ   LYS  16          2HZ       LYS  16  -9.865 -10.034 -36.218
  139   3HZ   LYS  16          3HZ       LYS  16  -8.443 -10.825 -36.145
  140    H    LEU  17           H        LEU  17  -8.199  -9.548 -30.870
  141    HA   LEU  17           HA       LEU  17  -8.044 -12.512 -30.573
  142   1HB   LEU  17          2HB       LEU  17 -10.087 -10.491 -29.577
  143   2HB   LEU  17          3HB       LEU  17 -10.081 -12.205 -29.189
  144    HG   LEU  17           HG       LEU  17  -7.849 -10.282 -28.372
  145   1HD1  LEU  17          1HD1      LEU  17  -9.954  -9.693 -27.314
  146   2HD1  LEU  17          2HD1      LEU  17 -10.213 -11.376 -26.805
  147   3HD1  LEU  17          3HD1      LEU  17  -8.857 -10.429 -26.135
  148   1HD2  LEU  17          1HD2      LEU  17  -8.481 -13.144 -27.527
  149   2HD2  LEU  17          2HD2      LEU  17  -7.069 -12.606 -28.472
  150   3HD2  LEU  17          3HD2      LEU  17  -7.255 -12.087 -26.794
  151    H    ASP  18           H        ASP  18 -10.371 -13.469 -30.885
  152    HA   ASP  18           HA       ASP  18 -11.640 -12.561 -33.427
  153   1HB   ASP  18          2HB       ASP  18 -10.129 -14.380 -34.001
  154   2HB   ASP  18          3HB       ASP  18 -10.801 -15.394 -32.724
  155    H    ILE  19           H        ILE  19 -13.430 -11.745 -32.585
  156    HA   ILE  19           HA       ILE  19 -15.372 -13.442 -31.099
  157    HB   ILE  19           HB       ILE  19 -14.518 -10.607 -30.374
  158   1HG1  ILE  19          2HG1      ILE  19 -14.390 -13.200 -28.772
  159   2HG1  ILE  19          3HG1      ILE  19 -13.019 -12.315 -29.451
  160   1HG2  ILE  19          1HG2      ILE  19 -16.775 -12.236 -29.125
  161   2HG2  ILE  19          2HG2      ILE  19 -16.251 -10.613 -28.639
  162   3HG2  ILE  19          3HG2      ILE  19 -17.002 -10.824 -30.202
  163   1HD1  ILE  19          1HD1      ILE  19 -13.657 -10.342 -28.017
  164   2HD1  ILE  19          2HD1      ILE  19 -14.809 -11.408 -27.179
  165   3HD1  ILE  19          3HD1      ILE  19 -13.079 -11.782 -27.144
  166    H    ASP  20           H        ASP  20 -17.399 -13.247 -31.954
  167    HA   ASP  20           HA       ASP  20 -17.889 -11.230 -34.081
  168   1HB   ASP  20          2HB       ASP  20 -18.576 -13.525 -34.541
  169   2HB   ASP  20          3HB       ASP  20 -19.627 -13.521 -33.121
  170    H    PHE  21           H        PHE  21 -17.964  -9.361 -33.030
  171    HA   PHE  21           HA       PHE  21 -19.685  -8.705 -30.750
  172   1HB   PHE  21          2HB       PHE  21 -18.277  -6.930 -32.789
  173   2HB   PHE  21          3HB       PHE  21 -18.953  -6.411 -31.258
  174    HD1  PHE  21           HD1      PHE  21 -16.041  -7.874 -32.920
  175    HD2  PHE  21           HD2      PHE  21 -17.884  -7.110 -29.116
  176    HE1  PHE  21           HE1      PHE  21 -13.852  -8.176 -31.800
  177    HE2  PHE  21           HE2      PHE  21 -15.695  -7.447 -27.980
  178    HZ   PHE  21           HZ       PHE  21 -13.665  -7.925 -29.333
  179    H    GLY  22           H        GLY  22 -19.858  -8.671 -34.201
  180   1HA   GLY  22          2HA       GLY  22 -22.154  -8.604 -35.323
  181   2HA   GLY  22          3HA       GLY  22 -22.473  -7.181 -34.312
  182    H    ALA  23           H        ALA  23 -22.500  -7.135 -37.174
  183    HA   ALA  23           HA       ALA  23 -20.299  -6.772 -38.654
  184   1HB   ALA  23          1HB       ALA  23 -22.822  -5.082 -38.850
  185   2HB   ALA  23          2HB       ALA  23 -21.631  -5.334 -40.145
  186   3HB   ALA  23          3HB       ALA  23 -22.573  -6.707 -39.531
  187    H    GLU  24           H        GLU  24 -21.728  -3.904 -37.068
  188    HA   GLU  24           HA       GLU  24 -19.609  -2.090 -37.844
  189   1HB   GLU  24          2HB       GLU  24 -21.625  -1.900 -35.565
  190   2HB   GLU  24          3HB       GLU  24 -20.582  -0.582 -36.098
  191   1HG   GLU  24          2HG       GLU  24 -22.690  -1.943 -37.836
  192   2HG   GLU  24          3HG       GLU  24 -22.909  -0.434 -36.964
  193    H    GLY  25           H        GLY  25 -20.161  -3.903 -34.850
  194   1HA   GLY  25          2HA       GLY  25 -17.943  -2.851 -33.366
  195   2HA   GLY  25          3HA       GLY  25 -18.818  -4.346 -33.017
  196    H    ASN  26           H        ASN  26 -18.253  -5.690 -35.449
  197    HA   ASN  26           HA       ASN  26 -15.700  -6.906 -35.030
  198   1HB   ASN  26          2HB       ASN  26 -17.541  -6.891 -37.469
  199   2HB   ASN  26          3HB       ASN  26 -16.117  -7.918 -37.294
  200   1HD2  ASN  26          2HD2      ASN  26 -18.663  -9.040 -37.760
  201   2HD2  ASN  26          1HD2      ASN  26 -19.101  -9.916 -36.289
  202    H    ARG  27           H        ARG  27 -16.780  -4.542 -37.482
  203    HA   ARG  27           HA       ARG  27 -14.175  -4.064 -38.667
  204   1HB   ARG  27          2HB       ARG  27 -16.606  -2.226 -38.522
  205   2HB   ARG  27          3HB       ARG  27 -15.153  -1.936 -39.486
  206   1HG   ARG  27          2HG       ARG  27 -15.589  -4.171 -40.641
  207   2HG   ARG  27          3HG       ARG  27 -17.163  -4.190 -39.853
  208   1HD   ARG  27          2HD       ARG  27 -16.099  -2.196 -41.870
  209   2HD   ARG  27          3HD       ARG  27 -17.423  -3.328 -42.084
  210    HE   ARG  27           HE       ARG  27 -18.824  -1.984 -40.607
  211   1HH1  ARG  27          1HH2      ARG  27 -15.874  -0.302 -41.522
  212   2HH1  ARG  27          2HH2      ARG  27 -16.574   1.252 -41.151
  213   1HH2  ARG  27          1HH1      ARG  27 -19.616  -0.025 -40.178
  214   2HH2  ARG  27          2HH1      ARG  27 -18.635   1.409 -40.411
  215    H    TYR  28           H        TYR  28 -15.882  -2.398 -36.003
  216    HA   TYR  28           HA       TYR  28 -13.940  -0.385 -35.559
  217   1HB   TYR  28          2HB       TYR  28 -16.239  -0.340 -34.668
  218   2HB   TYR  28          3HB       TYR  28 -15.858  -1.664 -33.577
  219    HD1  TYR  28           HD1      TYR  28 -14.748  -1.277 -31.506
  220    HD2  TYR  28           HD2      TYR  28 -14.915   1.857 -34.464
  221    HE1  TYR  28           HE1      TYR  28 -13.660   0.298 -29.910
  222    HE2  TYR  28           HE2      TYR  28 -13.824   3.429 -32.853
  223    HH   TYR  28           HH       TYR  28 -13.055   2.415 -29.523
  224    H    TYR  29           H        TYR  29 -14.304  -3.535 -33.852
  225    HA   TYR  29           HA       TYR  29 -11.972  -3.359 -32.254
  226   1HB   TYR  29          2HB       TYR  29 -13.772  -5.016 -31.919
  227   2HB   TYR  29          3HB       TYR  29 -13.307  -5.839 -33.401
  228    HD1  TYR  29           HD1      TYR  29 -12.098  -4.831 -30.000
  229    HD2  TYR  29           HD2      TYR  29 -11.479  -7.404 -33.410
  230    HE1  TYR  29           HE1      TYR  29 -10.302  -6.024 -28.767
  231    HE2  TYR  29           HE2      TYR  29  -9.694  -8.613 -32.163
  232    HH   TYR  29           HH       TYR  29  -8.682  -7.629 -28.872
  233    H    ALA  30           H        ALA  30 -12.317  -4.944 -35.492
  234    HA   ALA  30           HA       ALA  30  -9.675  -5.777 -35.836
  235   1HB   ALA  30          1HB       ALA  30 -11.535  -6.375 -37.324
  236   2HB   ALA  30          2HB       ALA  30 -11.603  -4.708 -37.939
  237   3HB   ALA  30          3HB       ALA  30 -10.173  -5.715 -38.249
  238    H    ALA  31           H        ALA  31 -10.949  -2.503 -36.388
  239    HA   ALA  31           HA       ALA  31  -8.387  -1.438 -37.319
  240   1HB   ALA  31          1HB       ALA  31  -9.662   0.682 -37.399
  241   2HB   ALA  31          2HB       ALA  31 -10.502  -0.639 -38.233
  242   3HB   ALA  31          3HB       ALA  31 -11.043  -0.125 -36.622
  243    H    ASN  32           H        ASN  32  -9.905  -1.709 -34.144
  244    HA   ASN  32           HA       ASN  32  -7.897   0.206 -32.994
  245   1HB   ASN  32          2HB       ASN  32 -10.833  -0.091 -32.273
  246   2HB   ASN  32          3HB       ASN  32  -9.681   0.984 -31.495
  247   1HD2  ASN  32          2HD2      ASN  32 -11.678   0.527 -34.281
  248   2HD2  ASN  32          1HD2      ASN  32 -11.395   2.140 -34.959
  249    H    TYR  33           H        TYR  33  -8.336  -2.999 -32.850
  250    HA   TYR  33           HA       TYR  33  -8.777  -3.819 -30.314
  251   1HB   TYR  33          2HB       TYR  33  -7.459  -5.791 -30.726
  252   2HB   TYR  33          3HB       TYR  33  -8.470  -5.368 -32.087
  253    HD1  TYR  33           HD1      TYR  33  -7.528  -4.919 -34.248
  254    HD2  TYR  33           HD2      TYR  33  -4.963  -5.455 -30.821
  255    HE1  TYR  33           HE1      TYR  33  -5.560  -5.161 -35.753
  256    HE2  TYR  33           HE2      TYR  33  -2.997  -5.653 -32.318
  257    HH   TYR  33           HH       TYR  33  -2.243  -5.662 -34.480
  258    H    TRP  34           H        TRP  34  -5.781  -2.270 -31.250
  259    HA   TRP  34           HA       TRP  34  -4.057  -2.829 -29.117
  260   1HB   TRP  34          2HB       TRP  34  -2.969  -0.725 -29.673
  261   2HB   TRP  34          3HB       TRP  34  -3.387  -1.635 -31.112
  262    HD1  TRP  34           HD1      TRP  34  -5.256  -0.617 -32.728
  263    HE1  TRP  34           HE1      TRP  34  -6.235   1.752 -33.010
  264    HE3  TRP  34           HE3      TRP  34  -3.482   1.537 -28.424
  265    HZ2  TRP  34           HZ2      TRP  34  -6.382   4.178 -31.499
  266    HZ3  TRP  34           HZ3      TRP  34  -3.999   3.917 -27.912
  267    HH2  TRP  34           HH2      TRP  34  -5.453   5.242 -29.429
  268    H    GLN  35           H        GLN  35  -6.828  -0.606 -29.061
  269    HA   GLN  35           HA       GLN  35  -6.189   0.698 -26.557
  270   1HB   GLN  35          2HB       GLN  35  -8.907   0.287 -27.882
  271   2HB   GLN  35          3HB       GLN  35  -8.531   1.427 -26.590
  272   1HG   GLN  35          2HG       GLN  35  -6.910   2.568 -28.115
  273   2HG   GLN  35          3HG       GLN  35  -7.470   1.528 -29.435
  274   1HE2  GLN  35          2HE2      GLN  35 -10.114   1.473 -29.405
  275   2HE2  GLN  35          1HE2      GLN  35 -10.801   3.093 -29.424
  276    H    PHE  36           H        PHE  36  -7.788  -2.326 -27.296
  277    HA   PHE  36           HA       PHE  36  -9.428  -2.449 -24.913
  278   1HB   PHE  36          2HB       PHE  36  -8.830  -4.431 -27.141
  279   2HB   PHE  36          3HB       PHE  36  -9.984  -4.714 -25.873
  280    HD1  PHE  36           HD1      PHE  36 -12.239  -3.950 -26.055
  281    HD2  PHE  36           HD2      PHE  36  -9.240  -2.380 -28.715
  282    HE1  PHE  36           HE1      PHE  36 -14.001  -3.062 -27.539
  283    HE2  PHE  36           HE2      PHE  36 -11.014  -1.489 -30.194
  284    HZ   PHE  36           HZ       PHE  36 -13.407  -1.890 -29.630
  285    HA   PRO  37           HA       PRO  37  -6.799  -5.147 -22.370
  286   1HB   PRO  37          2HB       PRO  37  -8.626  -6.288 -20.751
  287   2HB   PRO  37          3HB       PRO  37  -8.309  -4.539 -20.708
  288   1HG   PRO  37          2HG       PRO  37 -10.559  -5.931 -22.188
  289   2HG   PRO  37          3HG       PRO  37 -10.675  -4.563 -21.043
  290   1HD   PRO  37          2HD       PRO  37 -10.540  -4.193 -23.740
  291   2HD   PRO  37          3HD       PRO  37  -9.784  -3.046 -22.595
  292    H    ASP  38           H        ASP  38  -5.948  -7.123 -22.753
  293    HA   ASP  38           HA       ASP  38  -7.360  -9.102 -24.488
  294   1HB   ASP  38          2HB       ASP  38  -5.116  -8.656 -25.170
  295   2HB   ASP  38          3HB       ASP  38  -4.498  -8.809 -23.535
  296    H    GLY  39           H        GLY  39  -6.197  -8.633 -21.188
  297   1HA   GLY  39          2HA       GLY  39  -7.891 -10.909 -20.267
  298   2HA   GLY  39          3HA       GLY  39  -6.238 -10.740 -19.657
  299    H    ILE  40           H        ILE  40  -8.096 -10.753 -17.807
  300    HA   ILE  40           HA       ILE  40  -8.136  -7.971 -16.750
  301    HB   ILE  40           HB       ILE  40 -10.529  -9.856 -16.740
  302   1HG1  ILE  40          2HG1      ILE  40 -10.303  -7.001 -17.817
  303   2HG1  ILE  40          3HG1      ILE  40 -10.170  -8.434 -18.825
  304   1HG2  ILE  40          1HG2      ILE  40 -10.102  -7.202 -15.294
  305   2HG2  ILE  40          2HG2      ILE  40 -11.653  -8.056 -15.391
  306   3HG2  ILE  40          3HG2      ILE  40 -10.319  -8.789 -14.527
  307   1HD1  ILE  40          1HD1      ILE  40 -12.375  -7.682 -19.080
  308   2HD1  ILE  40          2HD1      ILE  40 -12.471  -9.141 -18.078
  309   3HD1  ILE  40          3HD1      ILE  40 -12.635  -7.531 -17.337
  310    H    TYR  41           H        TYR  41  -7.253  -7.907 -14.824
  311    HA   TYR  41           HA       TYR  41  -6.548 -10.304 -13.289
  312   1HB   TYR  41          2HB       TYR  41  -5.032  -8.373 -13.321
  313   2HB   TYR  41          3HB       TYR  41  -6.301  -7.327 -12.712
  314    HD1  TYR  41           HD1      TYR  41  -4.476 -10.504 -11.840
  315    HD2  TYR  41           HD2      TYR  41  -6.549  -7.017 -10.410
  316    HE1  TYR  41           HE1      TYR  41  -4.047 -11.209  -9.469
  317    HE2  TYR  41           HE2      TYR  41  -6.096  -7.679  -8.060
  318    HH   TYR  41           HH       TYR  41  -5.131  -9.237  -6.677
  319    H    TYR  42           H        TYR  42  -8.431 -11.297 -12.705
  320    HA   TYR  42           HA       TYR  42  -9.823 -10.176 -10.399
  321   1HB   TYR  42          2HB       TYR  42 -11.258  -9.314 -12.205
  322   2HB   TYR  42          3HB       TYR  42 -11.394 -10.924 -12.903
  323    HD1  TYR  42           HD1      TYR  42 -13.092 -12.432 -12.135
  324    HD2  TYR  42           HD2      TYR  42 -12.112  -8.939  -9.804
  325    HE1  TYR  42           HE1      TYR  42 -14.998 -12.915 -10.611
  326    HE2  TYR  42           HE2      TYR  42 -14.003  -9.455  -8.253
  327    HH   TYR  42           HH       TYR  42 -16.052 -12.350  -8.659
  328    H    GLU  43           H        GLU  43 -10.298 -11.734  -8.990
  329    HA   GLU  43           HA       GLU  43 -10.211 -14.616  -9.799
  330   1HB   GLU  43          2HB       GLU  43  -8.733 -13.392  -7.443
  331   2HB   GLU  43          3HB       GLU  43  -8.883 -15.121  -7.807
  332   1HG   GLU  43          2HG       GLU  43  -7.750 -14.699 -10.019
  333   2HG   GLU  43          3HG       GLU  43  -7.518 -13.026  -9.535
  334    H    GLY  44           H        GLY  44 -12.441 -14.351  -9.776
  335   1HA   GLY  44          2HA       GLY  44 -14.050 -13.799  -7.448
  336   2HA   GLY  44          3HA       GLY  44 -14.588 -14.660  -8.887
  337    H    CYS  45           H        CYS  45 -12.507 -16.735  -8.568
  338    HA   CYS  45           HA       CYS  45 -13.966 -18.738  -7.276
  339   1HB   CYS  45          2HB       CYS  45 -10.996 -18.615  -7.925
  340   2HB   CYS  45          3HB       CYS  45 -11.911 -20.086  -7.619
  341    H    SER  46           H        SER  46 -14.203 -19.353  -5.248
  342    HA   SER  46           HA       SER  46 -12.090 -18.969  -3.198
  343   1HB   SER  46          2HB       SER  46 -13.621 -17.025  -3.033
  344   2HB   SER  46          3HB       SER  46 -14.984 -18.128  -2.774
  345    HG   SER  46           HG       SER  46 -14.054 -17.326  -0.803
  346    H    GLU  47           H        GLU  47 -15.451 -20.239  -3.574
  347    HA   GLU  47           HA       GLU  47 -14.602 -22.944  -2.782
  348   1HB   GLU  47          2HB       GLU  47 -16.330 -23.088  -1.033
  349   2HB   GLU  47          3HB       GLU  47 -15.089 -21.905  -0.631
  350   1HG   GLU  47          2HG       GLU  47 -16.596 -20.054  -1.299
  351   2HG   GLU  47          3HG       GLU  47 -17.828 -21.217  -1.790
  352    H    ALA  48           H        ALA  48 -16.289 -24.565  -3.146
  353    HA   ALA  48           HA       ALA  48 -17.374 -24.455  -5.664
  354   1HB   ALA  48          1HB       ALA  48 -18.447 -26.586  -5.072
  355   2HB   ALA  48          2HB       ALA  48 -16.796 -26.498  -4.437
  356   3HB   ALA  48          3HB       ALA  48 -18.183 -26.251  -3.347
  357    H    ASN  49           H        ASN  49 -18.960 -23.203  -2.842
  358    HA   ASN  49           HA       ASN  49 -21.676 -23.167  -3.859
  359   1HB   ASN  49          2HB       ASN  49 -20.256 -21.502  -1.738
  360   2HB   ASN  49          3HB       ASN  49 -21.972 -21.364  -2.117
  361   1HD2  ASN  49          2HD2      ASN  49 -19.945 -22.804   0.087
  362   2HD2  ASN  49          1HD2      ASN  49 -20.973 -24.191   0.458
  363    H    VAL  50           H        VAL  50 -18.887 -21.096  -4.489
  364    HA   VAL  50           HA       VAL  50 -20.346 -18.945  -5.840
  365    HB   VAL  50           HB       VAL  50 -17.441 -19.832  -6.167
  366   1HG1  VAL  50          1HG1      VAL  50 -17.094 -17.534  -7.021
  367   2HG1  VAL  50          2HG1      VAL  50 -18.191 -18.444  -8.056
  368   3HG1  VAL  50          3HG1      VAL  50 -18.842 -17.232  -6.929
  369   1HG2  VAL  50          1HG2      VAL  50 -16.901 -17.924  -4.680
  370   2HG2  VAL  50          2HG2      VAL  50 -18.635 -17.648  -4.402
  371   3HG2  VAL  50          3HG2      VAL  50 -17.860 -19.142  -3.834
  372    H    THR  51           H        THR  51 -21.200 -19.035  -7.863
  373    HA   THR  51           HA       THR  51 -20.698 -21.482  -9.532
  374    HB   THR  51           HB       THR  51 -23.128 -19.706  -9.768
  375    HG1  THR  51           1HG      THR  51 -23.129 -20.383  -7.646
  376   1HG2  THR  51          1HG2      THR  51 -22.642 -22.663 -10.342
  377   2HG2  THR  51          2HG2      THR  51 -24.218 -21.854 -10.434
  378   3HG2  THR  51          3HG2      THR  51 -22.941 -21.383 -11.547
  379    H    LYS  52           H        LYS  52 -20.961 -21.108 -11.921
  380    HA   LYS  52           HA       LYS  52 -19.207 -19.055 -12.839
  381   1HB   LYS  52          2HB       LYS  52 -19.615 -21.219 -14.002
  382   2HB   LYS  52          3HB       LYS  52 -21.203 -20.628 -14.526
  383   1HG   LYS  52          2HG       LYS  52 -20.154 -18.811 -15.795
  384   2HG   LYS  52          3HG       LYS  52 -18.563 -19.209 -15.122
  385   1HD   LYS  52          2HD       LYS  52 -18.655 -21.430 -16.249
  386   2HD   LYS  52          3HD       LYS  52 -20.215 -20.976 -16.979
  387   1HE   LYS  52          2HE       LYS  52 -19.134 -19.028 -18.073
  388   2HE   LYS  52          3HE       LYS  52 -17.594 -19.441 -17.309
  389   1HZ   LYS  52          1HZ       LYS  52 -17.636 -21.552 -18.550
  390   2HZ   LYS  52          2HZ       LYS  52 -19.026 -21.122 -19.298
  391   3HZ   LYS  52          3HZ       LYS  52 -17.651 -20.273 -19.559
  392    H    GLU  53           H        GLU  53 -22.755 -19.161 -13.119
  393    HA   GLU  53           HA       GLU  53 -23.180 -16.629 -14.297
  394   1HB   GLU  53          2HB       GLU  53 -24.864 -18.047 -12.191
  395   2HB   GLU  53          3HB       GLU  53 -25.388 -16.650 -13.142
  396   1HG   GLU  53          2HG       GLU  53 -25.024 -17.961 -15.239
  397   2HG   GLU  53          3HG       GLU  53 -24.610 -19.375 -14.268
  398    H    MET  54           H        MET  54 -22.741 -17.348 -10.843
  399    HA   MET  54           HA       MET  54 -22.922 -14.674  -9.819
  400   1HB   MET  54          2HB       MET  54 -21.327 -17.012  -8.722
  401   2HB   MET  54          3HB       MET  54 -21.663 -15.503  -7.889
  402   1HG   MET  54          2HG       MET  54 -24.040 -15.962  -7.850
  403   2HG   MET  54          3HG       MET  54 -23.840 -17.370  -8.891
  404   1HE   MET  54          1HE       MET  54 -21.605 -16.319  -5.695
  405   2HE   MET  54          2HE       MET  54 -23.283 -15.868  -5.309
  406   3HE   MET  54          3HE       MET  54 -22.498 -17.208  -4.446
  407    H    LEU  55           H        LEU  55 -20.030 -16.612 -10.735
  408    HA   LEU  55           HA       LEU  55 -18.116 -14.619 -10.186
  409   1HB   LEU  55          2HB       LEU  55 -17.717 -17.044 -10.415
  410   2HB   LEU  55          3HB       LEU  55 -17.892 -16.933 -12.165
  411    HG   LEU  55           HG       LEU  55 -15.898 -15.136 -10.747
  412   1HD1  LEU  55          1HD1      LEU  55 -14.169 -16.855 -10.898
  413   2HD1  LEU  55          2HD1      LEU  55 -15.481 -17.380  -9.832
  414   3HD1  LEU  55          3HD1      LEU  55 -15.364 -18.030 -11.483
  415   1HD2  LEU  55          1HD2      LEU  55 -16.137 -14.825 -13.203
  416   2HD2  LEU  55          2HD2      LEU  55 -14.559 -15.483 -12.798
  417   3HD2  LEU  55          3HD2      LEU  55 -15.815 -16.550 -13.453
  418    H    VAL  56           H        VAL  56 -19.549 -15.430 -13.381
  419    HA   VAL  56           HA       VAL  56 -18.084 -13.503 -14.884
  420    HB   VAL  56           HB       VAL  56 -20.859 -14.597 -15.497
  421   1HG1  VAL  56          1HG1      VAL  56 -20.263 -12.598 -16.907
  422   2HG1  VAL  56          2HG1      VAL  56 -18.749 -13.413 -17.376
  423   3HG1  VAL  56          3HG1      VAL  56 -20.308 -14.092 -17.846
  424   1HG2  VAL  56          1HG2      VAL  56 -18.083 -15.536 -16.327
  425   2HG2  VAL  56          2HG2      VAL  56 -19.165 -16.413 -15.270
  426   3HG2  VAL  56          3HG2      VAL  56 -19.613 -16.189 -16.960
  427    H    THR  57           H        THR  57 -21.321 -13.190 -13.396
  428    HA   THR  57           HA       THR  57 -21.794 -10.450 -14.062
  429    HB   THR  57           HB       THR  57 -22.748 -11.954 -11.583
  430    HG1  THR  57           1HG      THR  57 -23.505 -13.100 -13.207
  431   1HG2  THR  57          1HG2      THR  57 -23.206  -9.543 -11.409
  432   2HG2  THR  57          2HG2      THR  57 -23.894  -9.535 -13.052
  433   3HG2  THR  57          3HG2      THR  57 -24.701 -10.423 -11.742
  434    H    SER  58           H        SER  58 -20.324 -11.852 -11.100
  435    HA   SER  58           HA       SER  58 -19.751  -9.377  -9.797
  436   1HB   SER  58          2HB       SER  58 -18.277 -12.011  -9.540
  437   2HB   SER  58          3HB       SER  58 -18.188 -10.637  -8.420
  438    HG   SER  58           HG       SER  58 -20.412 -12.302  -9.002
  439    H    CYS  59           H        CYS  59 -17.770 -11.289 -12.063
  440    HA   CYS  59           HA       CYS  59 -15.422  -9.695 -12.057
  441   1HB   CYS  59          2HB       CYS  59 -15.507 -11.926 -12.983
  442   2HB   CYS  59          3HB       CYS  59 -16.732 -11.478 -14.145
  443    H    VAL  60           H        VAL  60 -18.280  -9.436 -14.240
  444    HA   VAL  60           HA       VAL  60 -17.465  -7.074 -15.625
  445    HB   VAL  60           HB       VAL  60 -20.207  -8.167 -14.931
  446   1HG1  VAL  60          1HG1      VAL  60 -20.550  -5.772 -15.250
  447   2HG1  VAL  60          2HG1      VAL  60 -19.572  -5.803 -16.738
  448   3HG1  VAL  60          3HG1      VAL  60 -21.129  -6.653 -16.662
  449   1HG2  VAL  60          1HG2      VAL  60 -20.234  -8.799 -17.294
  450   2HG2  VAL  60          2HG2      VAL  60 -18.660  -8.009 -17.552
  451   3HG2  VAL  60          3HG2      VAL  60 -18.784  -9.463 -16.535
  452    H    ASN  61           H        ASN  61 -19.332  -7.345 -12.597
  453    HA   ASN  61           HA       ASN  61 -19.539  -4.547 -12.024
  454   1HB   ASN  61          2HB       ASN  61 -19.709  -7.072 -10.343
  455   2HB   ASN  61          3HB       ASN  61 -19.733  -5.483  -9.588
  456   1HD2  ASN  61          2HD2      ASN  61 -21.508  -7.568 -11.892
  457   2HD2  ASN  61          1HD2      ASN  61 -23.002  -6.639 -11.734
  458    H    ALA  62           H        ALA  62 -16.969  -6.870 -11.007
  459    HA   ALA  62           HA       ALA  62 -15.409  -5.001  -9.518
  460   1HB   ALA  62          1HB       ALA  62 -15.182  -7.451  -9.364
  461   2HB   ALA  62          2HB       ALA  62 -14.583  -7.518 -11.035
  462   3HB   ALA  62          3HB       ALA  62 -13.638  -6.690  -9.783
  463    H    THR  63           H        THR  63 -15.250  -6.011 -12.928
  464    HA   THR  63           HA       THR  63 -13.076  -4.416 -13.776
  465    HB   THR  63           HB       THR  63 -15.474  -5.167 -15.489
  466    HG1  THR  63           1HG      THR  63 -14.631  -7.000 -14.565
  467   1HG2  THR  63          1HG2      THR  63 -13.781  -5.188 -17.298
  468   2HG2  THR  63          2HG2      THR  63 -13.912  -3.576 -16.575
  469   3HG2  THR  63          3HG2      THR  63 -12.543  -4.635 -16.162
  470    H    GLN  64           H        GLN  64 -16.587  -3.560 -13.841
  471    HA   GLN  64           HA       GLN  64 -16.420  -0.919 -14.715
  472   1HB   GLN  64          2HB       GLN  64 -18.285  -2.255 -12.735
  473   2HB   GLN  64          3HB       GLN  64 -18.422  -0.539 -13.121
  474   1HG   GLN  64          2HG       GLN  64 -18.793  -1.011 -15.465
  475   2HG   GLN  64          3HG       GLN  64 -18.474  -2.730 -15.195
  476   1HE2  GLN  64          2HE2      GLN  64 -20.573  -3.291 -16.085
  477   2HE2  GLN  64          1HE2      GLN  64 -22.022  -3.004 -15.126
  478    H    ALA  65           H        ALA  65 -16.398  -1.954 -11.271
  479    HA   ALA  65           HA       ALA  65 -15.861   0.507 -10.103
  480   1HB   ALA  65          1HB       ALA  65 -15.118  -2.281  -9.126
  481   2HB   ALA  65          2HB       ALA  65 -15.249  -0.823  -8.121
  482   3HB   ALA  65          3HB       ALA  65 -16.691  -1.479  -8.920
  483    H    ALA  66           H        ALA  66 -13.485  -1.930 -11.179
  484    HA   ALA  66           HA       ALA  66 -11.169  -0.611 -10.176
  485   1HB   ALA  66          1HB       ALA  66  -9.964  -2.230 -11.637
  486   2HB   ALA  66          2HB       ALA  66 -11.223  -2.988 -10.642
  487   3HB   ALA  66          3HB       ALA  66 -11.520  -2.686 -12.369
  488    H    ASN  67           H        ASN  67 -12.695  -0.438 -13.416
  489    HA   ASN  67           HA       ASN  67 -10.554   1.472 -14.293
  490   1HB   ASN  67          2HB       ASN  67 -12.209  -0.277 -16.132
  491   2HB   ASN  67          3HB       ASN  67 -10.721   0.575 -16.493
  492   1HD2  ASN  67          2HD2      ASN  67 -12.148  -2.228 -15.016
  493   2HD2  ASN  67          1HD2      ASN  67 -10.680  -3.184 -14.910
  494    H    GLN  68           H        GLN  68 -12.731   2.432 -12.898
  495    HA   GLN  68           HA       GLN  68 -14.977   3.371 -14.260
  496   1HB   GLN  68          2HB       GLN  68 -13.363   4.629 -12.017
  497   2HB   GLN  68          3HB       GLN  68 -14.869   5.343 -12.614
  498   1HG   GLN  68          2HG       GLN  68 -16.121   3.319 -12.060
  499   2HG   GLN  68          3HG       GLN  68 -14.638   2.508 -11.561
  500   1HE2  GLN  68          2HE2      GLN  68 -14.098   2.622  -9.392
  501   2HE2  GLN  68          1HE2      GLN  68 -14.801   3.803  -8.278
  502    H    ALA  69           H        ALA  69 -11.849   5.071 -14.076
  503    HA   ALA  69           HA       ALA  69 -12.508   7.411 -15.484
  504   1HB   ALA  69          1HB       ALA  69 -10.075   7.625 -15.828
  505   2HB   ALA  69          2HB       ALA  69 -10.450   7.106 -14.175
  506   3HB   ALA  69          3HB       ALA  69  -9.846   5.926 -15.363
  507    H    GLU  70           H        GLU  70 -11.270   4.338 -16.842
  508    HA   GLU  70           HA       GLU  70 -10.966   5.135 -19.565
  509   1HB   GLU  70          2HB       GLU  70 -11.650   2.425 -18.353
  510   2HB   GLU  70          3HB       GLU  70 -11.253   2.668 -20.045
  511   1HG   GLU  70          2HG       GLU  70  -9.337   3.471 -17.815
  512   2HG   GLU  70          3HG       GLU  70  -9.396   1.846 -18.473
  513    H    PHE  71           H        PHE  71 -13.722   3.435 -18.038
  514    HA   PHE  71           HA       PHE  71 -15.485   3.573 -20.266
  515   1HB   PHE  71          2HB       PHE  71 -16.183   3.473 -17.307
  516   2HB   PHE  71          3HB       PHE  71 -17.253   3.050 -18.638
  517    HD1  PHE  71           HD1      PHE  71 -15.735   1.335 -20.419
  518    HD2  PHE  71           HD2      PHE  71 -15.612   1.518 -16.096
  519    HE1  PHE  71           HE1      PHE  71 -14.869  -0.973 -20.331
  520    HE2  PHE  71           HE2      PHE  71 -14.654  -0.747 -16.047
  521    HZ   PHE  71           HZ       PHE  71 -14.284  -2.004 -18.153
  522    H    SER  72           H        SER  72 -15.281   5.769 -17.448
  523    HA   SER  72           HA       SER  72 -17.388   7.521 -18.120
  524   1HB   SER  72          2HB       SER  72 -14.799   8.188 -16.666
  525   2HB   SER  72          3HB       SER  72 -16.260   9.190 -16.696
  526    HG   SER  72           HG       SER  72 -15.917   6.601 -15.584
  527    H    ARG  73           H        ARG  73 -13.938   7.865 -18.980
  528    HA   ARG  73           HA       ARG  73 -14.132  10.318 -20.471
  529   1HB   ARG  73          2HB       ARG  73 -12.147   8.010 -20.532
  530   2HB   ARG  73          3HB       ARG  73 -11.943   9.480 -21.491
  531   1HG   ARG  73          2HG       ARG  73 -11.793  10.877 -19.543
  532   2HG   ARG  73          3HG       ARG  73 -12.289   9.565 -18.464
  533   1HD   ARG  73          2HD       ARG  73 -10.249   8.294 -19.059
  534   2HD   ARG  73          3HD       ARG  73  -9.722   9.633 -20.100
  535    HE   ARG  73           HE       ARG  73 -10.176  10.811 -17.615
  536   1HH1  ARG  73          1HH1      ARG  73  -8.034   8.261 -18.697
  537   2HH1  ARG  73          2HH1      ARG  73  -6.870   8.591 -17.440
  538   1HH2  ARG  73          1HH2      ARG  73  -8.666  11.178 -16.053
  539   2HH2  ARG  73          2HH2      ARG  73  -7.226  10.200 -15.988
  540    H    GLU  74           H        GLU  74 -14.139   6.950 -21.623
  541    HA   GLU  74           HA       GLU  74 -14.478   7.616 -24.402
  542   1HB   GLU  74          2HB       GLU  74 -14.891   5.060 -22.807
  543   2HB   GLU  74          3HB       GLU  74 -15.138   5.129 -24.541
  544   1HG   GLU  74          2HG       GLU  74 -12.521   5.793 -23.127
  545   2HG   GLU  74          3HG       GLU  74 -12.894   4.287 -23.959
  546    H    LYS  75           H        LYS  75 -16.881   6.280 -22.150
  547    HA   LYS  75           HA       LYS  75 -19.026   5.757 -23.659
  548   1HB   LYS  75          2HB       LYS  75 -18.983   5.357 -21.293
  549   2HB   LYS  75          3HB       LYS  75 -18.975   7.088 -20.931
  550   1HG   LYS  75          2HG       LYS  75 -21.263   7.319 -21.753
  551   2HG   LYS  75          3HG       LYS  75 -21.297   5.620 -22.255
  552   1HD   LYS  75          2HD       LYS  75 -21.197   4.846 -19.996
  553   2HD   LYS  75          3HD       LYS  75 -20.764   6.438 -19.361
  554   1HE   LYS  75          2HE       LYS  75 -23.389   5.951 -20.819
  555   2HE   LYS  75          3HE       LYS  75 -23.219   5.621 -19.092
  556   1HZ   LYS  75          1HZ       LYS  75 -22.627   8.289 -20.278
  557   2HZ   LYS  75          2HZ       LYS  75 -24.053   7.891 -19.574
  558   3HZ   LYS  75          3HZ       LYS  75 -22.680   7.911 -18.697
  559    H    GLN  76           H        GLN  76 -18.551   9.078 -22.562
  560    HA   GLN  76           HA       GLN  76 -21.044  10.076 -23.465
  561   1HB   GLN  76          2HB       GLN  76 -18.435  11.584 -23.044
  562   2HB   GLN  76          3HB       GLN  76 -20.036  12.317 -23.161
  563   1HG   GLN  76          2HG       GLN  76 -19.092  10.406 -20.973
  564   2HG   GLN  76          3HG       GLN  76 -19.339  12.137 -20.820
  565   1HE2  GLN  76          2HE2      GLN  76 -21.623  12.973 -20.966
  566   2HE2  GLN  76          1HE2      GLN  76 -22.919  11.853 -20.559
  567    H    ASP  77           H        ASP  77 -18.276   9.398 -25.391
  568    HA   ASP  77           HA       ASP  77 -19.670  10.499 -27.812
  569   1HB   ASP  77          2HB       ASP  77 -17.803  11.990 -27.196
  570   2HB   ASP  77          3HB       ASP  77 -16.686  10.625 -27.243
  571    H    SER  78           H        SER  78 -17.279   8.180 -26.593
  572    HA   SER  78           HA       SER  78 -17.088   6.611 -29.023
  573   1HB   SER  78          2HB       SER  78 -15.448   7.189 -26.913
  574   2HB   SER  78          3HB       SER  78 -16.024   5.612 -26.415
  575    HG   SER  78           HG       SER  78 -14.132   5.575 -27.677
  576    H    LYS  79           H        LYS  79 -19.658   6.525 -28.595
  577    HA   LYS  79           HA       LYS  79 -20.809   4.646 -26.807
  578   1HB   LYS  79          2HB       LYS  79 -21.808   5.632 -29.512
  579   2HB   LYS  79          3HB       LYS  79 -22.778   4.692 -28.365
  580   1HG   LYS  79          2HG       LYS  79 -22.470   6.436 -26.635
  581   2HG   LYS  79          3HG       LYS  79 -21.507   7.405 -27.764
  582   1HD   LYS  79          2HD       LYS  79 -23.454   7.566 -29.295
  583   2HD   LYS  79          3HD       LYS  79 -24.427   6.618 -28.146
  584   1HE   LYS  79          2HE       LYS  79 -24.040   8.347 -26.401
  585   2HE   LYS  79          3HE       LYS  79 -23.071   9.288 -27.542
  586   1HZ   LYS  79          1HZ       LYS  79 -25.058   9.518 -28.938
  587   2HZ   LYS  79          2HZ       LYS  79 -25.955   8.649 -27.884
  588   3HZ   LYS  79          3HZ       LYS  79 -25.357  10.101 -27.444
  589    H    LEU  80           H        LEU  80 -19.886   4.052 -30.196
  590    HA   LEU  80           HA       LEU  80 -20.513   1.262 -30.201
  591   1HB   LEU  80          2HB       LEU  80 -20.146   2.568 -32.252
  592   2HB   LEU  80          3HB       LEU  80 -18.438   2.754 -31.852
  593    HG   LEU  80           HG       LEU  80 -18.076   0.326 -32.100
  594   1HD1  LEU  80          1HD1      LEU  80 -20.253  -0.597 -31.431
  595   2HD1  LEU  80          2HD1      LEU  80 -21.040   0.191 -32.819
  596   3HD1  LEU  80          3HD1      LEU  80 -19.862  -1.117 -33.069
  597   1HD2  LEU  80          1HD2      LEU  80 -18.505   0.154 -34.531
  598   2HD2  LEU  80          2HD2      LEU  80 -19.609   1.539 -34.440
  599   3HD2  LEU  80          3HD2      LEU  80 -17.878   1.753 -34.092
  600    H    HIS  81           H        HIS  81 -17.446   2.930 -29.318
  601    HA   HIS  81           HA       HIS  81 -15.858   0.648 -28.875
  602   1HB   HIS  81          2HB       HIS  81 -15.092   3.043 -28.808
  603   2HB   HIS  81          3HB       HIS  81 -15.742   3.159 -27.186
  604    HD1  HIS  81           HD1      HIS  81 -12.955   3.722 -26.817
  605    HD2  HIS  81           HD2      HIS  81 -14.193  -0.264 -27.540
  606    HE1  HIS  81           HE1      HIS  81 -10.997   2.192 -26.138
  607    HE2  HIS  81           HE2      HIS  81 -11.771  -0.234 -26.586
  608    H    GLN  82           H        GLN  82 -17.939   2.330 -26.469
  609    HA   GLN  82           HA       GLN  82 -17.570   0.593 -24.285
  610   1HB   GLN  82          2HB       GLN  82 -20.075   2.090 -25.142
  611   2HB   GLN  82          3HB       GLN  82 -19.928   1.230 -23.613
  612   1HG   GLN  82          2HG       GLN  82 -18.122   3.532 -24.469
  613   2HG   GLN  82          3HG       GLN  82 -19.531   3.655 -23.413
  614   1HE2  GLN  82          2HE2      GLN  82 -19.469   2.511 -21.284
  615   2HE2  GLN  82          1HE2      GLN  82 -17.877   2.231 -20.581
  616    H    ARG  83           H        ARG  83 -20.121   0.208 -26.798
  617    HA   ARG  83           HA       ARG  83 -21.236  -2.223 -25.871
  618   1HB   ARG  83          2HB       ARG  83 -22.187  -0.797 -27.672
  619   2HB   ARG  83          3HB       ARG  83 -20.896  -1.315 -28.764
  620   1HG   ARG  83          2HG       ARG  83 -21.675  -3.688 -28.495
  621   2HG   ARG  83          3HG       ARG  83 -23.006  -3.111 -27.482
  622   1HD   ARG  83          2HD       ARG  83 -23.921  -1.819 -29.343
  623   2HD   ARG  83          3HD       ARG  83 -22.534  -2.206 -30.362
  624    HE   ARG  83           HE       ARG  83 -24.839  -3.913 -29.787
  625   1HH1  ARG  83          1HH1      ARG  83 -21.491  -4.063 -30.877
  626   2HH1  ARG  83          2HH1      ARG  83 -21.724  -5.712 -31.450
  627   1HH2  ARG  83          1HH2      ARG  83 -24.984  -5.983 -30.625
  628   2HH2  ARG  83          2HH2      ARG  83 -23.550  -6.702 -31.334
  629    H    VAL  84           H        VAL  84 -18.659  -1.901 -28.277
  630    HA   VAL  84           HA       VAL  84 -18.066  -4.686 -28.624
  631    HB   VAL  84           HB       VAL  84 -16.255  -2.269 -29.026
  632   1HG1  VAL  84          1HG1      VAL  84 -15.047  -4.528 -29.104
  633   2HG1  VAL  84          2HG1      VAL  84 -16.117  -4.959 -30.448
  634   3HG1  VAL  84          3HG1      VAL  84 -15.023  -3.594 -30.620
  635   1HG2  VAL  84          1HG2      VAL  84 -18.378  -2.130 -30.355
  636   2HG2  VAL  84          2HG2      VAL  84 -16.978  -2.413 -31.383
  637   3HG2  VAL  84          3HG2      VAL  84 -18.078  -3.754 -30.967
  638    H    LEU  85           H        LEU  85 -16.470  -2.251 -26.563
  639    HA   LEU  85           HA       LEU  85 -14.561  -3.878 -25.298
  640   1HB   LEU  85          2HB       LEU  85 -14.590  -1.430 -25.332
  641   2HB   LEU  85          3HB       LEU  85 -16.030  -1.405 -24.316
  642    HG   LEU  85           HG       LEU  85 -14.757  -2.303 -22.427
  643   1HD1  LEU  85          1HD1      LEU  85 -12.288  -2.463 -22.544
  644   2HD1  LEU  85          2HD1      LEU  85 -13.054  -3.661 -23.590
  645   3HD1  LEU  85          3HD1      LEU  85 -12.347  -2.182 -24.298
  646   1HD2  LEU  85          1HD2      LEU  85 -13.397   0.051 -23.825
  647   2HD2  LEU  85          2HD2      LEU  85 -14.850   0.139 -22.807
  648   3HD2  LEU  85          3HD2      LEU  85 -13.295  -0.321 -22.092
  649    H    TRP  86           H        TRP  86 -17.890  -3.128 -24.105
  650    HA   TRP  86           HA       TRP  86 -17.737  -4.845 -21.832
  651   1HB   TRP  86          2HB       TRP  86 -20.064  -3.693 -23.380
  652   2HB   TRP  86          3HB       TRP  86 -20.304  -4.796 -22.022
  653    HD1  TRP  86           HD1      TRP  86 -20.089  -1.226 -22.583
  654    HE1  TRP  86           HE1      TRP  86 -19.256   0.092 -20.535
  655    HE3  TRP  86           HE3      TRP  86 -18.656  -5.154 -19.630
  656    HZ2  TRP  86           HZ2      TRP  86 -17.843  -0.490 -18.079
  657    HZ3  TRP  86           HZ3      TRP  86 -17.535  -4.746 -17.450
  658    HH2  TRP  86           HH2      TRP  86 -16.989  -2.422 -16.755
  659    H    ARG  87           H        ARG  87 -18.877  -5.603 -25.125
  660    HA   ARG  87           HA       ARG  87 -19.633  -8.324 -24.611
  661   1HB   ARG  87          2HB       ARG  87 -20.283  -7.259 -26.661
  662   2HB   ARG  87          3HB       ARG  87 -18.618  -6.900 -27.080
  663   1HG   ARG  87          2HG       ARG  87 -19.426  -8.725 -28.459
  664   2HG   ARG  87          3HG       ARG  87 -18.147  -9.312 -27.404
  665   1HD   ARG  87          2HD       ARG  87 -20.077 -10.108 -25.839
  666   2HD   ARG  87          3HD       ARG  87 -21.145  -9.761 -27.191
  667    HE   ARG  87           HE       ARG  87 -20.059 -11.503 -28.486
  668   1HH1  ARG  87          1HH2      ARG  87 -18.529 -11.348 -25.295
  669   2HH1  ARG  87          2HH2      ARG  87 -18.058 -13.044 -25.474
  670   1HH2  ARG  87          1HH1      ARG  87 -19.322 -13.643 -28.473
  671   2HH2  ARG  87          2HH1      ARG  87 -18.375 -14.146 -27.067
  672    H    LEU  88           H        LEU  88 -16.454  -7.003 -25.492
  673    HA   LEU  88           HA       LEU  88 -15.013  -9.501 -25.342
  674   1HB   LEU  88          2HB       LEU  88 -14.084  -7.706 -26.583
  675   2HB   LEU  88          3HB       LEU  88 -14.180  -6.590 -25.223
  676    HG   LEU  88           HG       LEU  88 -12.407  -7.773 -24.060
  677   1HD1  LEU  88          1HD1      LEU  88 -11.128  -9.573 -25.044
  678   2HD1  LEU  88          2HD1      LEU  88 -12.798 -10.117 -24.934
  679   3HD1  LEU  88          3HD1      LEU  88 -12.152  -9.572 -26.494
  680   1HD2  LEU  88          1HD2      LEU  88 -11.796  -6.034 -25.605
  681   2HD2  LEU  88          2HD2      LEU  88 -10.577  -7.311 -25.705
  682   3HD2  LEU  88          3HD2      LEU  88 -11.801  -7.161 -26.981
  683    H    ILE  89           H        ILE  89 -15.370  -6.882 -22.870
  684    HA   ILE  89           HA       ILE  89 -13.975  -8.140 -20.753
  685    HB   ILE  89           HB       ILE  89 -16.378  -6.295 -20.722
  686   1HG1  ILE  89          2HG1      ILE  89 -13.507  -5.788 -19.817
  687   2HG1  ILE  89          3HG1      ILE  89 -14.027  -5.514 -21.470
  688   1HG2  ILE  89          1HG2      ILE  89 -16.584  -7.557 -18.662
  689   2HG2  ILE  89          2HG2      ILE  89 -14.845  -7.430 -18.341
  690   3HG2  ILE  89          3HG2      ILE  89 -15.881  -6.006 -18.246
  691   1HD1  ILE  89          1HD1      ILE  89 -14.085  -3.418 -20.291
  692   2HD1  ILE  89          2HD1      ILE  89 -15.753  -3.894 -20.655
  693   3HD1  ILE  89          3HD1      ILE  89 -15.107  -4.079 -19.009
  694    H    LYS  90           H        LYS  90 -17.433  -8.547 -21.613
  695    HA   LYS  90           HA       LYS  90 -17.994 -10.618 -19.742
  696   1HB   LYS  90          2HB       LYS  90 -19.690  -9.323 -21.052
  697   2HB   LYS  90          3HB       LYS  90 -19.243 -10.248 -22.497
  698   1HG   LYS  90          2HG       LYS  90 -19.931 -12.348 -21.379
  699   2HG   LYS  90          3HG       LYS  90 -20.302 -11.447 -19.895
  700   1HD   LYS  90          2HD       LYS  90 -22.046 -10.166 -21.114
  701   2HD   LYS  90          3HD       LYS  90 -21.670 -11.070 -22.599
  702   1HE   LYS  90          2HE       LYS  90 -22.259 -13.194 -21.449
  703   2HE   LYS  90          3HE       LYS  90 -22.628 -12.297 -19.971
  704   1HZ   LYS  90          1HZ       LYS  90 -24.401 -11.146 -21.191
  705   2HZ   LYS  90          2HZ       LYS  90 -24.061 -11.978 -22.557
  706   3HZ   LYS  90          3HZ       LYS  90 -24.640 -12.758 -21.247
  707    H    GLU  91           H        GLU  91 -16.796 -10.991 -23.132
  708    HA   GLU  91           HA       GLU  91 -16.626 -13.806 -23.128
  709   1HB   GLU  91          2HB       GLU  91 -16.117 -12.175 -25.063
  710   2HB   GLU  91          3HB       GLU  91 -14.517 -12.006 -24.378
  711   1HG   GLU  91          2HG       GLU  91 -14.523 -13.648 -26.182
  712   2HG   GLU  91          3HG       GLU  91 -14.065 -14.377 -24.657
  713    H    ILE  92           H        ILE  92 -14.125 -11.511 -21.994
  714    HA   ILE  92           HA       ILE  92 -12.252 -13.442 -21.019
  715    HB   ILE  92           HB       ILE  92 -12.739 -10.580 -20.110
  716   1HG1  ILE  92          2HG1      ILE  92 -10.586 -11.715 -21.943
  717   2HG1  ILE  92          3HG1      ILE  92 -12.062 -10.981 -22.547
  718   1HG2  ILE  92          1HG2      ILE  92 -11.540 -11.798 -18.341
  719   2HG2  ILE  92          2HG2      ILE  92 -10.416 -12.487 -19.536
  720   3HG2  ILE  92          3HG2      ILE  92 -10.408 -10.754 -19.172
  721   1HD1  ILE  92          1HD1      ILE  92 -11.484  -8.842 -21.408
  722   2HD1  ILE  92          2HD1      ILE  92  -9.918  -9.549 -20.945
  723   3HD1  ILE  92          3HD1      ILE  92 -10.316  -9.340 -22.651
  724    H    CYS  93           H        CYS  93 -14.841 -11.703 -19.230
  725    HA   CYS  93           HA       CYS  93 -14.459 -12.974 -16.725
  726   1HB   CYS  93          2HB       CYS  93 -16.895 -11.723 -18.014
  727   2HB   CYS  93          3HB       CYS  93 -16.887 -12.320 -16.362
  728    H    SER  94           H        SER  94 -16.646 -14.002 -19.403
  729    HA   SER  94           HA       SER  94 -17.577 -16.440 -18.243
  730   1HB   SER  94          2HB       SER  94 -17.197 -15.589 -21.127
  731   2HB   SER  94          3HB       SER  94 -17.953 -17.116 -20.633
  732    HG   SER  94           HG       SER  94 -19.492 -15.437 -20.959
  733    H    ALA  95           H        ALA  95 -14.622 -15.779 -20.085
  734    HA   ALA  95           HA       ALA  95 -13.836 -18.501 -20.462
  735   1HB   ALA  95          1HB       ALA  95 -12.087 -16.007 -20.400
  736   2HB   ALA  95          2HB       ALA  95 -11.650 -17.588 -21.070
  737   3HB   ALA  95          3HB       ALA  95 -12.956 -16.649 -21.813
  738    H    LYS  96           H        LYS  96 -12.744 -16.179 -17.937
  739    HA   LYS  96           HA       LYS  96 -11.008 -18.028 -16.589
  740   1HB   LYS  96          2HB       LYS  96 -11.060 -16.478 -14.677
  741   2HB   LYS  96          3HB       LYS  96 -10.681 -15.717 -16.222
  742   1HG   LYS  96          2HG       LYS  96 -12.935 -14.772 -16.363
  743   2HG   LYS  96          3HG       LYS  96 -13.416 -15.613 -14.897
  744   1HD   LYS  96          2HD       LYS  96 -13.061 -13.333 -14.399
  745   2HD   LYS  96          3HD       LYS  96 -11.829 -14.269 -13.570
  746   1HE   LYS  96          2HE       LYS  96 -11.152 -13.110 -16.290
  747   2HE   LYS  96          3HE       LYS  96 -11.361 -11.981 -14.955
  748   1HZ   LYS  96          1HZ       LYS  96  -9.392 -14.197 -15.021
  749   2HZ   LYS  96          2HZ       LYS  96  -9.082 -12.586 -15.013
  750   3HZ   LYS  96          3HZ       LYS  96  -9.713 -13.310 -13.680
  751    H    HIS  97           H        HIS  97 -11.444 -19.823 -15.627
  752    HA   HIS  97           HA       HIS  97 -14.042 -20.316 -14.275
  753   1HB   HIS  97          2HB       HIS  97 -13.895 -22.560 -15.321
  754   2HB   HIS  97          3HB       HIS  97 -13.912 -21.222 -16.472
  755    HD1  HIS  97           HD1      HIS  97 -10.591 -22.430 -14.901
  756    HD2  HIS  97           HD2      HIS  97 -12.849 -22.466 -18.470
  757    HE1  HIS  97           HE1      HIS  97  -9.034 -23.366 -16.744
  758    HE2  HIS  97           HE2      HIS  97 -10.415 -23.377 -18.919
  759    H    CYS  98           H        CYS  98 -14.178 -21.549 -12.454
  760    HA   CYS  98           HA       CYS  98 -11.725 -21.763 -10.858
  761   1HB   CYS  98          2HB       CYS  98 -14.550 -22.563 -10.102
  762   2HB   CYS  98          3HB       CYS  98 -13.188 -22.277  -9.028
  763    H    ASP  99           H        ASP  99 -10.575 -23.529 -10.442
  764    HA   ASP  99           HA       ASP  99 -10.844 -25.990 -11.808
  765   1HB   ASP  99          2HB       ASP  99  -8.749 -25.070 -10.870
  766   2HB   ASP  99          3HB       ASP  99  -9.348 -25.353  -9.235
  767    H    PHE 100           H        PHE 100 -11.956 -25.088  -8.562
  768    HA   PHE 100           HA       PHE 100 -12.708 -27.720  -7.700
  769   1HB   PHE 100          2HB       PHE 100 -13.825 -26.537  -5.846
  770   2HB   PHE 100          3HB       PHE 100 -12.161 -26.067  -6.096
  771    HD1  PHE 100           HD1      PHE 100 -11.655 -23.795  -5.909
  772    HD2  PHE 100           HD2      PHE 100 -15.639 -24.932  -7.122
  773    HE1  PHE 100           HE1      PHE 100 -12.348 -21.430  -5.872
  774    HE2  PHE 100           HE2      PHE 100 -16.308 -22.551  -7.143
  775    HZ   PHE 100           HZ       PHE 100 -14.689 -20.796  -6.545
  776    H    TRP 101           H        TRP 101 -14.378 -25.729  -9.972
  777    HA   TRP 101           HA       TRP 101 -17.068 -26.185  -9.186
  778   1HB   TRP 101          2HB       TRP 101 -15.819 -25.606 -11.881
  779   2HB   TRP 101          3HB       TRP 101 -17.540 -25.888 -11.706
  780    HD1  TRP 101           HD1      TRP 101 -17.641 -24.171  -8.817
  781    HE1  TRP 101           HE1      TRP 101 -17.929 -21.675  -9.026
  782    HE3  TRP 101           HE3      TRP 101 -16.104 -23.597 -13.680
  783    HZ2  TRP 101           HZ2      TRP 101 -17.449 -19.616 -11.001
  784    HZ3  TRP 101           HZ3      TRP 101 -16.126 -21.334 -14.725
  785    HH2  TRP 101           HH2      TRP 101 -16.746 -19.335 -13.382
  786    H    LEU 102           H        LEU 102 -18.471 -27.692  -9.320
  787    HA   LEU 102           HA       LEU 102 -18.027 -30.256 -10.697
  788   1HB   LEU 102          2HB       LEU 102 -18.207 -31.507  -8.564
  789   2HB   LEU 102          3HB       LEU 102 -16.769 -30.521  -8.693
  790    HG   LEU 102           HG       LEU 102 -17.974 -28.768  -7.216
  791   1HD1  LEU 102          1HD1      LEU 102 -20.278 -29.586  -7.284
  792   2HD1  LEU 102          2HD1      LEU 102 -19.768 -31.178  -6.680
  793   3HD1  LEU 102          3HD1      LEU 102 -19.654 -29.735  -5.648
  794   1HD2  LEU 102          1HD2      LEU 102 -16.145 -30.216  -6.439
  795   2HD2  LEU 102          2HD2      LEU 102 -17.346 -29.952  -5.172
  796   3HD2  LEU 102          3HD2      LEU 102 -17.315 -31.501  -6.052
  797    H    GLU 103           H        GLU 103 -19.896 -31.766 -10.268
  798    HA   GLU 103           HA       GLU 103 -22.436 -30.362 -10.727
  799   1HB   GLU 103          2HB       GLU 103 -21.747 -33.321 -10.548
  800   2HB   GLU 103          3HB       GLU 103 -23.354 -32.669 -10.911
  801   1HG   GLU 103          2HG       GLU 103 -22.418 -31.486 -12.894
  802   2HG   GLU 103          3HG       GLU 103 -20.838 -32.203 -12.570
  803    H    ARG 104           H        ARG 104 -22.901 -29.264  -8.861
  804    HA   ARG 104           HA       ARG 104 -23.139 -30.434  -6.216
  805   1HB   ARG 104          2HB       ARG 104 -24.531 -27.981  -7.385
  806   2HB   ARG 104          3HB       ARG 104 -24.445 -28.411  -5.671
  807   1HG   ARG 104          2HG       ARG 104 -21.906 -28.290  -5.861
  808   2HG   ARG 104          3HG       ARG 104 -22.128 -27.581  -7.468
  809   1HD   ARG 104          2HD       ARG 104 -23.110 -26.458  -4.812
  810   2HD   ARG 104          3HD       ARG 104 -21.764 -25.859  -5.775
  811    HE   ARG 104           HE       ARG 104 -24.635 -25.803  -6.678
  812   1HH1  ARG 104          1HH2      ARG 104 -21.547 -24.025  -6.562
  813   2HH1  ARG 104          2HH2      ARG 104 -22.333 -22.676  -7.370
  814   1HH2  ARG 104          1HH1      ARG 104 -25.390 -24.013  -7.725
  815   2HH2  ARG 104          2HH1      ARG 104 -24.276 -22.678  -7.986
  816    H    GLY 105           H        GLY 105 -25.026 -30.913  -5.041
  817   1HA   GLY 105          2HA       GLY 105 -27.474 -31.707  -6.581
  818   2HA   GLY 105          3HA       GLY 105 -26.648 -32.866  -5.541
  819    H    ALA 106           H        ALA 106 -29.305 -31.171  -5.614
  820    HA   ALA 106           HA       ALA 106 -29.600 -30.954  -2.693
  821   1HB   ALA 106          1HB       ALA 106 -30.547 -28.668  -2.861
  822   2HB   ALA 106          2HB       ALA 106 -28.851 -28.695  -3.376
  823   3HB   ALA 106          3HB       ALA 106 -30.147 -28.622  -4.591
  824    H    ALA 107           H        ALA 107 -31.770 -30.989  -2.011
  825    HA   ALA 107           HA       ALA 107 -33.607 -32.571  -3.578
  826   1HB   ALA 107          1HB       ALA 107 -33.421 -32.755  -1.126
  827   2HB   ALA 107          2HB       ALA 107 -33.998 -31.080  -0.945
  828   3HB   ALA 107          3HB       ALA 107 -35.073 -32.326  -1.609
  Start of MODEL    2
    1   1H    ARG   1          H1        ARG   1   4.074   2.861  -8.024
    2   2H    ARG   1          H2        ARG   1   3.183   1.613  -8.602
    3   3H    ARG   1          H3        ARG   1   4.454   2.183  -9.460
    4    HA   ARG   1           HA       ARG   1   3.397   4.294  -9.804
    5   1HB   ARG   1          2HB       ARG   1   3.116   2.516 -11.495
    6   2HB   ARG   1          3HB       ARG   1   1.636   1.974 -10.703
    7   1HG   ARG   1          2HG       ARG   1   0.591   4.202 -11.163
    8   2HG   ARG   1          3HG       ARG   1   2.109   4.757 -11.882
    9   1HD   ARG   1          2HD       ARG   1   0.579   4.141 -13.658
   10   2HD   ARG   1          3HD       ARG   1   1.927   3.012 -13.630
   11    HE   ARG   1           HE       ARG   1   0.493   1.275 -13.069
   12   1HH1  ARG   1          1HH2      ARG   1  -1.366   4.226 -12.734
   13   2HH1  ARG   1          2HH2      ARG   1  -2.861   3.349 -12.541
   14   1HH2  ARG   1          1HH1      ARG   1  -1.419   0.243 -12.812
   15   2HH2  ARG   1          2HH1      ARG   1  -2.882   1.160 -12.587
   16    H    VAL   2           H        VAL   2   0.588   2.249  -8.864
   17    HA   VAL   2           HA       VAL   2  -0.433   4.508  -7.214
   18    HB   VAL   2           HB       VAL   2  -1.657   3.826  -9.272
   19   1HG1  VAL   2          1HG1      VAL   2  -1.401   1.362  -9.148
   20   2HG1  VAL   2          2HG1      VAL   2  -2.464   1.336  -7.721
   21   3HG1  VAL   2          3HG1      VAL   2  -3.089   1.870  -9.291
   22   1HG2  VAL   2          1HG2      VAL   2  -3.261   3.498  -6.700
   23   2HG2  VAL   2          2HG2      VAL   2  -2.749   5.051  -7.405
   24   3HG2  VAL   2          3HG2      VAL   2  -3.870   4.002  -8.285
   25    H    ALA   3           H        ALA   3  -1.339   4.143  -5.202
   26    HA   ALA   3           HA       ALA   3  -0.288   1.954  -3.608
   27   1HB   ALA   3          1HB       ALA   3  -1.529   3.072  -1.793
   28   2HB   ALA   3          2HB       ALA   3  -0.604   4.254  -2.734
   29   3HB   ALA   3          3HB       ALA   3  -2.361   4.106  -2.974
   30    H    GLU   4           H        GLU   4  -1.518   0.409  -2.440
   31    HA   GLU   4           HA       GLU   4  -3.774  -0.850  -3.770
   32   1HB   GLU   4          2HB       GLU   4  -2.567  -1.253  -1.002
   33   2HB   GLU   4          3HB       GLU   4  -3.828  -2.271  -1.694
   34   1HG   GLU   4          2HG       GLU   4  -1.027  -1.922  -2.856
   35   2HG   GLU   4          3HG       GLU   4  -1.559  -3.265  -1.858
   36    H    ASN   5           H        ASN   5  -3.404   1.474  -1.300
   37    HA   ASN   5           HA       ASN   5  -6.246   1.558  -0.455
   38   1HB   ASN   5          2HB       ASN   5  -4.400   1.959   1.165
   39   2HB   ASN   5          3HB       ASN   5  -3.866   3.348   0.221
   40   1HD2  ASN   5          2HD2      ASN   5  -7.051   2.177   1.588
   41   2HD2  ASN   5          1HD2      ASN   5  -7.407   3.761   2.267
   42    H    ARG   6           H        ARG   6  -6.404   1.683  -2.981
   43    HA   ARG   6           HA       ARG   6  -6.628   4.396  -4.059
   44   1HB   ARG   6          2HB       ARG   6  -7.385   3.281  -6.091
   45   2HB   ARG   6          3HB       ARG   6  -5.912   2.578  -5.461
   46   1HG   ARG   6          2HG       ARG   6  -6.966   0.615  -5.840
   47   2HG   ARG   6          3HG       ARG   6  -7.649   0.909  -4.245
   48   1HD   ARG   6          2HD       ARG   6  -9.436   0.253  -5.685
   49   2HD   ARG   6          3HD       ARG   6  -9.634   1.974  -5.341
   50    HE   ARG   6           HE       ARG   6  -8.122   1.286  -7.768
   51   1HH1  ARG   6          2HH1      ARG   6 -11.259   2.391  -6.598
   52   2HH1  ARG   6          1HH1      ARG   6 -11.826   2.687  -8.222
   53   1HH2  ARG   6          1HH2      ARG   6  -8.923   1.745  -9.774
   54   2HH2  ARG   6          2HH2      ARG   6 -10.534   2.376  -9.952
   55    HA   PRO   7           HA       PRO   7 -10.715   5.566  -2.905
   56   1HB   PRO   7          2HB       PRO   7 -11.376   5.727  -5.858
   57   2HB   PRO   7          3HB       PRO   7 -11.772   6.888  -4.549
   58   1HG   PRO   7          2HG       PRO   7  -9.667   7.373  -6.160
   59   2HG   PRO   7          3HG       PRO   7  -9.492   7.592  -4.387
   60   1HD   PRO   7          2HD       PRO   7  -8.604   5.255  -6.091
   61   2HD   PRO   7          3HD       PRO   7  -7.724   6.100  -4.781
   62    H    GLY   8           H        GLY   8 -12.258   4.326  -2.095
   63   1HA   GLY   8          2HA       GLY   8 -14.249   2.920  -2.408
   64   2HA   GLY   8          3HA       GLY   8 -13.338   1.970  -3.580
   65    H    ALA   9           H        ALA   9 -10.890   2.304  -1.589
   66    HA   ALA   9           HA       ALA   9 -11.038  -0.345  -0.695
   67   1HB   ALA   9          1HB       ALA   9  -8.946   0.838  -1.069
   68   2HB   ALA   9          2HB       ALA   9  -9.276   1.927   0.297
   69   3HB   ALA   9          3HB       ALA   9  -8.989   0.197   0.584
   70    H    PHE  10           H        PHE  10 -11.856  -1.401   0.972
   71    HA   PHE  10           HA       PHE  10 -13.534  -0.348   3.013
   72   1HB   PHE  10          2HB       PHE  10 -11.894  -2.903   2.764
   73   2HB   PHE  10          3HB       PHE  10 -12.970  -2.609   4.104
   74    HD1  PHE  10           HD1      PHE  10 -14.887  -1.230   1.513
   75    HD2  PHE  10           HD2      PHE  10 -13.350  -5.026   2.896
   76    HE1  PHE  10           HE1      PHE  10 -16.788  -2.398   0.473
   77    HE2  PHE  10           HE2      PHE  10 -15.285  -6.177   1.857
   78    HZ   PHE  10           HZ       PHE  10 -17.000  -4.868   0.638
   79    H    ILE  11           H        ILE  11 -13.262   0.227   5.154
   80    HA   ILE  11           HA       ILE  11 -10.541   0.030   6.367
   81    HB   ILE  11           HB       ILE  11 -12.590   2.216   6.836
   82   1HG1  ILE  11          2HG1      ILE  11  -9.811   2.475   5.611
   83   2HG1  ILE  11          3HG1      ILE  11 -11.294   2.408   4.663
   84   1HG2  ILE  11          1HG2      ILE  11 -10.860   3.177   8.340
   85   2HG2  ILE  11          2HG2      ILE  11 -11.427   1.616   8.885
   86   3HG2  ILE  11          3HG2      ILE  11  -9.846   1.742   8.072
   87   1HD1  ILE  11          1HD1      ILE  11 -10.662   4.718   4.902
   88   2HD1  ILE  11          2HD1      ILE  11 -12.146   4.442   5.831
   89   3HD1  ILE  11          3HD1      ILE  11 -10.575   4.588   6.657
   90    H    LYS  12           H        LYS  12 -10.705  -1.696   7.521
   91    HA   LYS  12           HA       LYS  12 -13.092  -2.275   9.247
   92   1HB   LYS  12          2HB       LYS  12 -10.890  -4.189   8.371
   93   2HB   LYS  12          3HB       LYS  12 -12.311  -4.568   9.351
   94   1HG   LYS  12          2HG       LYS  12 -13.741  -3.845   7.357
   95   2HG   LYS  12          3HG       LYS  12 -12.241  -3.777   6.412
   96   1HD   LYS  12          2HD       LYS  12 -11.844  -6.213   7.164
   97   2HD   LYS  12          3HD       LYS  12 -13.508  -6.183   7.783
   98   1HE   LYS  12          2HE       LYS  12 -14.239  -5.493   5.424
   99   2HE   LYS  12          3HE       LYS  12 -12.570  -5.796   4.907
  100   1HZ   LYS  12          1HZ       LYS  12 -14.511  -7.752   5.980
  101   2HZ   LYS  12          2HZ       LYS  12 -13.764  -7.810   4.510
  102   3HZ   LYS  12          3HZ       LYS  12 -12.910  -8.106   5.856
  103    H    GLN  13           H        GLN  13 -12.828  -1.353  11.086
  104    HA   GLN  13           HA       GLN  13 -10.250  -1.422  12.614
  105   1HB   GLN  13          2HB       GLN  13 -12.624   0.482  12.606
  106   2HB   GLN  13          3HB       GLN  13 -11.353   0.522  13.837
  107   1HG   GLN  13          2HG       GLN  13  -9.656   1.004  12.160
  108   2HG   GLN  13          3HG       GLN  13 -10.820   0.808  10.853
  109   1HE2  GLN  13          2HE2      GLN  13 -12.984   2.317  11.341
  110   2HE2  GLN  13          1HE2      GLN  13 -12.485   3.986  11.663
  111    H    GLY  14           H        GLY  14 -13.748  -1.899  12.810
  112   1HA   GLY  14          2HA       GLY  14 -14.714  -3.800  14.012
  113   2HA   GLY  14          3HA       GLY  14 -13.433  -3.683  15.221
  114    H    ARG  15           H        ARG  15 -15.902  -1.626  13.740
  115    HA   ARG  15           HA       ARG  15 -16.706  -0.423  16.373
  116   1HB   ARG  15          2HB       ARG  15 -15.054   0.951  15.239
  117   2HB   ARG  15          3HB       ARG  15 -15.958   0.867  13.730
  118   1HG   ARG  15          2HG       ARG  15 -17.770   2.233  14.691
  119   2HG   ARG  15          3HG       ARG  15 -16.962   2.220  16.271
  120   1HD   ARG  15          2HD       ARG  15 -16.509   4.330  15.077
  121   2HD   ARG  15          3HD       ARG  15 -15.034   3.402  15.334
  122    HE   ARG  15           HE       ARG  15 -14.938   2.824  13.013
  123   1HH1  ARG  15          1HH2      ARG  15 -17.568   5.099  13.514
  124   2HH1  ARG  15          2HH2      ARG  15 -17.716   5.378  11.798
  125   1HH2  ARG  15          1HH1      ARG  15 -15.304   3.065  10.980
  126   2HH2  ARG  15          2HH1      ARG  15 -16.501   4.185  10.372
  127    H    LYS  16           H        LYS  16 -18.673  -1.274  16.616
  128    HA   LYS  16           HA       LYS  16 -20.572  -1.839  14.528
  129   1HB   LYS  16          2HB       LYS  16 -20.501  -2.898  16.843
  130   2HB   LYS  16          3HB       LYS  16 -21.169  -1.391  17.482
  131   1HG   LYS  16          2HG       LYS  16 -23.063  -1.677  15.805
  132   2HG   LYS  16          3HG       LYS  16 -22.445  -3.279  15.442
  133   1HD   LYS  16          2HD       LYS  16 -22.900  -4.023  17.701
  134   2HD   LYS  16          3HD       LYS  16 -23.248  -2.377  18.252
  135   1HE   LYS  16          2HE       LYS  16 -24.856  -3.837  16.108
  136   2HE   LYS  16          3HE       LYS  16 -25.286  -3.819  17.822
  137   1HZ   LYS  16          1HZ       LYS  16 -25.481  -1.395  17.692
  138   2HZ   LYS  16          2HZ       LYS  16 -25.103  -1.388  16.100
  139   3HZ   LYS  16          3HZ       LYS  16 -26.483  -2.095  16.616
  140    H    LEU  17           H        LEU  17 -21.937  -0.601  13.500
  141    HA   LEU  17           HA       LEU  17 -22.481   2.219  14.272
  142   1HB   LEU  17          2HB       LEU  17 -23.201   0.658  11.764
  143   2HB   LEU  17          3HB       LEU  17 -23.357   2.397  11.978
  144    HG   LEU  17           HG       LEU  17 -20.703   0.882  11.932
  145   1HD1  LEU  17          1HD1      LEU  17 -22.009   2.683   9.860
  146   2HD1  LEU  17          2HD1      LEU  17 -20.429   1.869   9.730
  147   3HD1  LEU  17          3HD1      LEU  17 -21.920   0.911   9.799
  148   1HD2  LEU  17          1HD2      LEU  17 -20.512   2.929  13.277
  149   2HD2  LEU  17          2HD2      LEU  17 -19.693   3.124  11.724
  150   3HD2  LEU  17          3HD2      LEU  17 -21.286   3.874  11.982
  151    H    ASP  18           H        ASP  18 -24.818   2.876  13.492
  152    HA   ASP  18           HA       ASP  18 -26.893   0.947  14.426
  153   1HB   ASP  18          2HB       ASP  18 -26.456   2.482  16.271
  154   2HB   ASP  18          3HB       ASP  18 -26.689   3.874  15.210
  155    H    ILE  19           H        ILE  19 -27.721   0.421  12.544
  156    HA   ILE  19           HA       ILE  19 -28.912   2.447  10.706
  157    HB   ILE  19           HB       ILE  19 -27.171   0.059   9.980
  158   1HG1  ILE  19          2HG1      ILE  19 -26.803   2.945   9.083
  159   2HG1  ILE  19          3HG1      ILE  19 -26.036   2.302  10.532
  160   1HG2  ILE  19          1HG2      ILE  19 -28.851   1.814   8.126
  161   2HG2  ILE  19          2HG2      ILE  19 -27.672   0.602   7.589
  162   3HG2  ILE  19          3HG2      ILE  19 -29.101   0.081   8.451
  163   1HD1  ILE  19          1HD1      ILE  19 -24.877   0.573   9.223
  164   2HD1  ILE  19          2HD1      ILE  19 -25.551   1.252   7.724
  165   3HD1  ILE  19          3HD1      ILE  19 -24.457   2.221   8.719
  166    H    ASP  20           H        ASP  20 -30.996   1.933  10.220
  167    HA   ASP  20           HA       ASP  20 -32.092  -0.700  11.073
  168   1HB   ASP  20          2HB       ASP  20 -33.295   1.308  11.780
  169   2HB   ASP  20          3HB       ASP  20 -33.520   1.788  10.094
  170    H    PHE  21           H        PHE  21 -31.084  -1.953   9.591
  171    HA   PHE  21           HA       PHE  21 -31.343  -1.894   6.707
  172   1HB   PHE  21          2HB       PHE  21 -30.900  -4.220   8.627
  173   2HB   PHE  21          3HB       PHE  21 -30.612  -4.241   6.903
  174    HD1  PHE  21           HD1      PHE  21 -29.267  -3.279  10.177
  175    HD2  PHE  21           HD2      PHE  21 -28.710  -2.995   5.924
  176    HE1  PHE  21           HE1      PHE  21 -26.928  -2.549  10.538
  177    HE2  PHE  21           HE2      PHE  21 -26.389  -2.191   6.284
  178    HZ   PHE  21           HZ       PHE  21 -25.477  -1.998   8.593
  179    H    GLY  22           H        GLY  22 -33.078  -3.363   9.349
  180   1HA   GLY  22          2HA       GLY  22 -35.651  -3.716   8.987
  181   2HA   GLY  22          3HA       GLY  22 -35.108  -4.732   7.632
  182    H    ALA  23           H        ALA  23 -36.540  -5.746   9.923
  183    HA   ALA  23           HA       ALA  23 -35.309  -6.477  12.187
  184   1HB   ALA  23          1HB       ALA  23 -36.847  -8.399  12.311
  185   2HB   ALA  23          2HB       ALA  23 -37.645  -6.950  11.675
  186   3HB   ALA  23          3HB       ALA  23 -37.171  -8.260  10.569
  187    H    GLU  24           H        GLU  24 -35.121  -8.709   9.403
  188    HA   GLU  24           HA       GLU  24 -33.296 -10.536  10.700
  189   1HB   GLU  24          2HB       GLU  24 -34.891 -10.995   8.728
  190   2HB   GLU  24          3HB       GLU  24 -33.674 -10.237   7.703
  191   1HG   GLU  24          2HG       GLU  24 -33.279 -12.560   7.552
  192   2HG   GLU  24          3HG       GLU  24 -32.009 -11.965   8.609
  193    H    GLY  25           H        GLY  25 -32.737  -7.798   8.517
  194   1HA   GLY  25          2HA       GLY  25 -29.900  -8.218   8.134
  195   2HA   GLY  25          3HA       GLY  25 -30.795  -6.733   7.799
  196    H    ASN  26           H        ASN  26 -31.778  -6.207  10.350
  197    HA   ASN  26           HA       ASN  26 -29.705  -4.902  11.800
  198   1HB   ASN  26          2HB       ASN  26 -32.462  -5.843  12.731
  199   2HB   ASN  26          3HB       ASN  26 -31.411  -4.748  13.626
  200   1HD2  ASN  26          2HD2      ASN  26 -33.970  -3.908  13.084
  201   2HD2  ASN  26          1HD2      ASN  26 -33.881  -2.643  11.854
  202    H    ARG  27           H        ARG  27 -31.354  -7.991  12.378
  203    HA   ARG  27           HA       ARG  27 -29.869  -8.927  14.671
  204   1HB   ARG  27          2HB       ARG  27 -31.473 -10.260  12.469
  205   2HB   ARG  27          3HB       ARG  27 -30.591 -11.232  13.644
  206   1HG   ARG  27          2HG       ARG  27 -31.898 -10.529  15.448
  207   2HG   ARG  27          3HG       ARG  27 -32.475  -9.078  14.625
  208   1HD   ARG  27          2HD       ARG  27 -34.185 -10.948  14.898
  209   2HD   ARG  27          3HD       ARG  27 -34.013 -10.248  13.299
  210    HE   ARG  27           HE       ARG  27 -33.182 -12.248  12.434
  211   1HH1  ARG  27          1HH2      ARG  27 -33.338 -12.739  15.908
  212   2HH1  ARG  27          2HH2      ARG  27 -33.085 -14.456  15.708
  213   1HH2  ARG  27          1HH1      ARG  27 -32.914 -14.212  12.258
  214   2HH2  ARG  27          2HH1      ARG  27 -32.836 -15.326  13.633
  215    H    TYR  28           H        TYR  28 -29.375  -9.562  11.189
  216    HA   TYR  28           HA       TYR  28 -27.037 -11.115  11.437
  217   1HB   TYR  28          2HB       TYR  28 -28.455 -10.885   9.409
  218   2HB   TYR  28          3HB       TYR  28 -27.801  -9.281   9.139
  219    HD1  TYR  28           HD1      TYR  28 -26.878 -12.901   9.419
  220    HD2  TYR  28           HD2      TYR  28 -25.664  -8.977   8.122
  221    HE1  TYR  28           HE1      TYR  28 -24.855 -13.887   8.328
  222    HE2  TYR  28           HE2      TYR  28 -23.638  -9.967   7.042
  223    HH   TYR  28           HH       TYR  28 -22.541 -11.858   6.513
  224    H    TYR  29           H        TYR  29 -27.196  -7.578  10.729
  225    HA   TYR  29           HA       TYR  29 -24.408  -7.088  10.818
  226   1HB   TYR  29          2HB       TYR  29 -26.068  -5.497   9.921
  227   2HB   TYR  29          3HB       TYR  29 -26.675  -5.198  11.544
  228    HD1  TYR  29           HD1      TYR  29 -23.652  -4.900   9.335
  229    HD2  TYR  29           HD2      TYR  29 -25.543  -3.657  13.015
  230    HE1  TYR  29           HE1      TYR  29 -21.817  -3.284   9.730
  231    HE2  TYR  29           HE2      TYR  29 -23.706  -2.022  13.393
  232    HH   TYR  29           HH       TYR  29 -20.911  -1.774  11.172
  233    H    ALA  30           H        ALA  30 -26.780  -6.712  13.534
  234    HA   ALA  30           HA       ALA  30 -24.983  -5.953  15.538
  235   1HB   ALA  30          1HB       ALA  30 -27.453  -7.719  15.780
  236   2HB   ALA  30          2HB       ALA  30 -26.666  -6.841  17.108
  237   3HB   ALA  30          3HB       ALA  30 -27.426  -5.940  15.782
  238    H    ALA  31           H        ALA  31 -25.650  -9.272  14.426
  239    HA   ALA  31           HA       ALA  31 -23.831 -10.509  16.345
  240   1HB   ALA  31          1HB       ALA  31 -24.431 -12.566  15.104
  241   2HB   ALA  31          2HB       ALA  31 -25.860 -11.634  15.590
  242   3HB   ALA  31          3HB       ALA  31 -25.303 -11.583  13.906
  243    H    ASN  32           H        ASN  32 -23.430  -9.296  13.042
  244    HA   ASN  32           HA       ASN  32 -20.737 -10.608  12.872
  245   1HB   ASN  32          2HB       ASN  32 -22.776 -10.187  10.664
  246   2HB   ASN  32          3HB       ASN  32 -21.184 -10.913  10.484
  247   1HD2  ASN  32          2HD2      ASN  32 -24.428 -11.452  11.549
  248   2HD2  ASN  32          1HD2      ASN  32 -24.228 -13.189  11.834
  249    H    TYR  33           H        TYR  33 -21.736  -7.537  13.280
  250    HA   TYR  33           HA       TYR  33 -20.845  -5.962  11.272
  251   1HB   TYR  33          2HB       TYR  33 -20.467  -4.176  12.817
  252   2HB   TYR  33          3HB       TYR  33 -21.914  -5.064  13.222
  253    HD1  TYR  33           HD1      TYR  33 -18.419  -4.310  14.243
  254    HD2  TYR  33           HD2      TYR  33 -22.129  -6.218  15.337
  255    HE1  TYR  33           HE1      TYR  33 -17.623  -4.521  16.600
  256    HE2  TYR  33           HE2      TYR  33 -21.355  -6.391  17.687
  257    HH   TYR  33           HH       TYR  33 -19.635  -6.012  19.160
  258    H    TRP  34           H        TRP  34 -18.648  -7.628  13.434
  259    HA   TRP  34           HA       TRP  34 -16.182  -6.394  12.923
  260   1HB   TRP  34          2HB       TRP  34 -15.189  -8.515  13.561
  261   2HB   TRP  34          3HB       TRP  34 -16.529  -8.103  14.614
  262    HD1  TRP  34           HD1      TRP  34 -18.709  -9.646  14.514
  263    HE1  TRP  34           HE1      TRP  34 -19.150 -12.015  13.600
  264    HE3  TRP  34           HE3      TRP  34 -14.419 -10.294  11.778
  265    HZ2  TRP  34           HZ2      TRP  34 -17.904 -13.858  11.795
  266    HZ3  TRP  34           HZ3      TRP  34 -14.041 -12.412  10.527
  267    HH2  TRP  34           HH2      TRP  34 -15.775 -14.192  10.517
  268    H    GLN  35           H        GLN  35 -17.946  -8.594  10.754
  269    HA   GLN  35           HA       GLN  35 -15.770  -9.017   8.879
  270   1HB   GLN  35          2HB       GLN  35 -18.776  -9.173   8.368
  271   2HB   GLN  35          3HB       GLN  35 -17.491  -9.819   7.351
  272   1HG   GLN  35          2HG       GLN  35 -16.789 -11.304   9.244
  273   2HG   GLN  35          3HG       GLN  35 -18.222 -10.778  10.142
  274   1HE2  GLN  35          2HE2      GLN  35 -20.313 -10.859   8.507
  275   2HE2  GLN  35          1HE2      GLN  35 -20.474 -12.437   7.744
  276    H    PHE  36           H        PHE  36 -18.179  -6.488   9.238
  277    HA   PHE  36           HA       PHE  36 -18.169  -5.615   6.479
  278   1HB   PHE  36          2HB       PHE  36 -19.362  -4.425   9.016
  279   2HB   PHE  36          3HB       PHE  36 -19.612  -3.766   7.424
  280    HD1  PHE  36           HD1      PHE  36 -20.145  -6.911   9.408
  281    HD2  PHE  36           HD2      PHE  36 -21.400  -4.496   6.077
  282    HE1  PHE  36           HE1      PHE  36 -22.190  -8.292   9.190
  283    HE2  PHE  36           HE2      PHE  36 -23.453  -5.874   5.875
  284    HZ   PHE  36           HZ       PHE  36 -23.866  -7.739   7.425
  285    HA   PRO  37           HA       PRO  37 -15.133  -2.248   6.880
  286   1HB   PRO  37          2HB       PRO  37 -15.885  -0.655   4.817
  287   2HB   PRO  37          3HB       PRO  37 -15.175  -2.270   4.566
  288   1HG   PRO  37          2HG       PRO  37 -18.113  -1.525   4.518
  289   2HG   PRO  37          3HG       PRO  37 -17.203  -2.468   3.315
  290   1HD   PRO  37          2HD       PRO  37 -18.650  -3.650   5.298
  291   2HD   PRO  37          3HD       PRO  37 -17.134  -4.366   4.678
  292    H    ASP  38           H        ASP  38 -15.567  -1.221   8.848
  293    HA   ASP  38           HA       ASP  38 -18.069   0.221   9.300
  294   1HB   ASP  38          2HB       ASP  38 -17.115   1.021  11.370
  295   2HB   ASP  38          3HB       ASP  38 -16.999  -0.724  11.195
  296    H    GLY  39           H        GLY  39 -14.963   1.110   7.948
  297   1HA   GLY  39          2HA       GLY  39 -16.134   3.762   7.169
  298   2HA   GLY  39          3HA       GLY  39 -14.426   3.581   7.595
  299    H    ILE  40           H        ILE  40 -15.188   4.570   5.128
  300    HA   ILE  40           HA       ILE  40 -13.954   2.556   3.319
  301    HB   ILE  40           HB       ILE  40 -16.435   4.172   2.607
  302   1HG1  ILE  40          2HG1      ILE  40 -15.954   1.151   2.600
  303   2HG1  ILE  40          3HG1      ILE  40 -16.845   2.027   3.843
  304   1HG2  ILE  40          1HG2      ILE  40 -16.163   3.150   0.321
  305   2HG2  ILE  40          2HG2      ILE  40 -14.881   4.270   0.718
  306   3HG2  ILE  40          3HG2      ILE  40 -14.584   2.520   0.831
  307   1HD1  ILE  40          1HD1      ILE  40 -18.469   2.804   2.076
  308   2HD1  ILE  40          2HD1      ILE  40 -17.691   1.644   0.970
  309   3HD1  ILE  40          3HD1      ILE  40 -18.469   1.072   2.453
  310    H    TYR  41           H        TYR  41 -12.235   3.391   2.400
  311    HA   TYR  41           HA       TYR  41 -11.562   6.256   2.509
  312   1HB   TYR  41          2HB       TYR  41  -9.807   4.535   2.769
  313   2HB   TYR  41          3HB       TYR  41 -10.222   3.848   1.208
  314    HD1  TYR  41           HD1      TYR  41  -8.754   6.815   2.912
  315    HD2  TYR  41           HD2      TYR  41  -9.500   4.862  -0.858
  316    HE1  TYR  41           HE1      TYR  41  -7.261   8.455   1.758
  317    HE2  TYR  41           HE2      TYR  41  -8.041   6.511  -2.013
  318    HH   TYR  41           HH       TYR  41  -6.920   8.553  -1.773
  319    H    TYR  42           H        TYR  42 -12.413   7.647   1.021
  320    HA   TYR  42           HA       TYR  42 -12.429   6.951  -1.813
  321   1HB   TYR  42          2HB       TYR  42 -14.606   6.049  -1.138
  322   2HB   TYR  42          3HB       TYR  42 -15.029   7.560  -0.353
  323    HD1  TYR  42           HD1      TYR  42 -14.052   6.127  -3.691
  324    HD2  TYR  42           HD2      TYR  42 -16.217   9.219  -1.595
  325    HE1  TYR  42           HE1      TYR  42 -14.884   7.043  -5.866
  326    HE2  TYR  42           HE2      TYR  42 -17.097  10.064  -3.755
  327    HH   TYR  42           HH       TYR  42 -16.967   9.931  -6.031
  328    H    GLU  43           H        GLU  43 -12.744   8.765  -3.197
  329    HA   GLU  43           HA       GLU  43 -12.242  11.444  -1.953
  330   1HB   GLU  43          2HB       GLU  43 -10.735  10.152  -4.255
  331   2HB   GLU  43          3HB       GLU  43 -10.645  11.866  -3.813
  332   1HG   GLU  43          2HG       GLU  43  -9.848  11.239  -1.544
  333   2HG   GLU  43          3HG       GLU  43  -9.908   9.537  -1.995
  334    H    GLY  44           H        GLY  44 -14.241  12.141  -2.238
  335   1HA   GLY  44          2HA       GLY  44 -15.731  11.860  -4.758
  336   2HA   GLY  44          3HA       GLY  44 -16.309  12.554  -3.246
  337    H    CYS  45           H        CYS  45 -14.861  14.682  -2.718
  338    HA   CYS  45           HA       CYS  45 -15.655  16.740  -4.429
  339   1HB   CYS  45          2HB       CYS  45 -13.412  16.622  -2.388
  340   2HB   CYS  45          3HB       CYS  45 -14.038  18.103  -3.084
  341    H    SER  46           H        SER  46 -14.995  17.180  -6.431
  342    HA   SER  46           HA       SER  46 -12.105  17.539  -7.005
  343   1HB   SER  46          2HB       SER  46 -12.405  16.675  -9.291
  344   2HB   SER  46          3HB       SER  46 -12.616  15.433  -8.047
  345    HG   SER  46           HG       SER  46 -14.240  15.304  -9.645
  346    H    GLU  47           H        GLU  47 -15.301  18.059  -8.528
  347    HA   GLU  47           HA       GLU  47 -14.858  20.999  -8.555
  348   1HB   GLU  47          2HB       GLU  47 -15.528  21.158 -10.904
  349   2HB   GLU  47          3HB       GLU  47 -14.034  20.245 -10.713
  350   1HG   GLU  47          2HG       GLU  47 -15.290  18.112 -10.995
  351   2HG   GLU  47          3HG       GLU  47 -16.795  19.019 -11.157
  352    H    ALA  48           H        ALA  48 -16.735  22.284  -8.752
  353    HA   ALA  48           HA       ALA  48 -18.861  21.578  -7.187
  354   1HB   ALA  48          1HB       ALA  48 -18.131  23.865  -7.675
  355   2HB   ALA  48          2HB       ALA  48 -18.738  23.720  -9.343
  356   3HB   ALA  48          3HB       ALA  48 -19.868  23.681  -7.974
  357    H    ASN  49           H        ASN  49 -18.636  20.883 -10.587
  358    HA   ASN  49           HA       ASN  49 -21.420  20.497 -11.207
  359   1HB   ASN  49          2HB       ASN  49 -18.889  19.294 -12.410
  360   2HB   ASN  49          3HB       ASN  49 -20.507  19.075 -13.073
  361   1HD2  ASN  49          2HD2      ASN  49 -17.801  20.824 -13.658
  362   2HD2  ASN  49          1HD2      ASN  49 -18.579  22.281 -14.284
  363    H    VAL  50           H        VAL  50 -19.128  18.447  -9.484
  364    HA   VAL  50           HA       VAL  50 -20.627  15.959  -9.626
  365    HB   VAL  50           HB       VAL  50 -18.597  16.904  -7.556
  366   1HG1  VAL  50          1HG1      VAL  50 -19.631  14.101  -8.187
  367   2HG1  VAL  50          2HG1      VAL  50 -18.301  14.498  -7.075
  368   3HG1  VAL  50          3HG1      VAL  50 -19.939  15.022  -6.697
  369   1HG2  VAL  50          1HG2      VAL  50 -17.005  15.487  -8.801
  370   2HG2  VAL  50          2HG2      VAL  50 -18.237  15.177 -10.046
  371   3HG2  VAL  50          3HG2      VAL  50 -17.589  16.815  -9.800
  372    H    THR  51           H        THR  51 -22.689  15.846  -8.899
  373    HA   THR  51           HA       THR  51 -23.657  17.416  -6.600
  374    HB   THR  51           HB       THR  51 -25.812  16.423  -7.078
  375    HG1  THR  51           1HG      THR  51 -25.958  14.948  -8.853
  376   1HG2  THR  51          1HG2      THR  51 -26.238  17.184  -9.326
  377   2HG2  THR  51          2HG2      THR  51 -25.075  18.288  -8.568
  378   3HG2  THR  51          3HG2      THR  51 -24.520  17.083  -9.753
  379    H    LYS  52           H        LYS  52 -25.093  16.137  -4.970
  380    HA   LYS  52           HA       LYS  52 -23.581  14.116  -3.583
  381   1HB   LYS  52          2HB       LYS  52 -25.262  15.602  -2.491
  382   2HB   LYS  52          3HB       LYS  52 -26.561  14.743  -3.334
  383   1HG   LYS  52          2HG       LYS  52 -25.988  12.653  -2.193
  384   2HG   LYS  52          3HG       LYS  52 -24.540  13.387  -1.487
  385   1HD   LYS  52          2HD       LYS  52 -25.977  14.969  -0.207
  386   2HD   LYS  52          3HD       LYS  52 -27.420  14.178  -0.882
  387   1HE   LYS  52          2HE       LYS  52 -26.688  12.015   0.109
  388   2HE   LYS  52          3HE       LYS  52 -25.247  12.799   0.769
  389   1HZ   LYS  52          1HZ       LYS  52 -28.048  13.466   1.512
  390   2HZ   LYS  52          2HZ       LYS  52 -26.985  12.644   2.441
  391   3HZ   LYS  52          3HZ       LYS  52 -26.723  14.219   2.106
  392    H    GLU  53           H        GLU  53 -26.400  13.811  -5.708
  393    HA   GLU  53           HA       GLU  53 -26.659  10.987  -5.699
  394   1HB   GLU  53          2HB       GLU  53 -27.143  12.954  -7.974
  395   2HB   GLU  53          3HB       GLU  53 -27.641  11.257  -7.975
  396   1HG   GLU  53          2HG       GLU  53 -29.012  11.665  -5.932
  397   2HG   GLU  53          3HG       GLU  53 -28.570  13.373  -5.983
  398    H    MET  54           H        MET  54 -24.594  12.995  -7.846
  399    HA   MET  54           HA       MET  54 -23.261  10.855  -9.189
  400   1HB   MET  54          2HB       MET  54 -22.369  13.680  -8.539
  401   2HB   MET  54          3HB       MET  54 -21.413  12.547  -9.498
  402   1HG   MET  54          2HG       MET  54 -23.172  12.359 -11.164
  403   2HG   MET  54          3HG       MET  54 -24.261  13.338 -10.188
  404   1HE   MET  54          1HE       MET  54 -20.562  14.977 -12.471
  405   2HE   MET  54          2HE       MET  54 -20.368  13.926 -11.055
  406   3HE   MET  54          3HE       MET  54 -21.124  13.293 -12.537
  407    H    LEU  55           H        LEU  55 -22.173  12.656  -6.230
  408    HA   LEU  55           HA       LEU  55 -19.749  11.255  -5.928
  409   1HB   LEU  55          2HB       LEU  55 -20.481  13.451  -4.957
  410   2HB   LEU  55          3HB       LEU  55 -21.392  12.588  -3.726
  411    HG   LEU  55           HG       LEU  55 -18.400  12.191  -4.184
  412   1HD1  LEU  55          1HD1      LEU  55 -18.014  13.818  -2.364
  413   2HD1  LEU  55          2HD1      LEU  55 -18.827  14.581  -3.739
  414   3HD1  LEU  55          3HD1      LEU  55 -19.748  14.142  -2.279
  415   1HD2  LEU  55          1HD2      LEU  55 -18.426  11.579  -1.743
  416   2HD2  LEU  55          2HD2      LEU  55 -20.198  11.679  -1.774
  417   3HD2  LEU  55          3HD2      LEU  55 -19.343  10.453  -2.733
  418    H    VAL  56           H        VAL  56 -22.819  10.677  -4.196
  419    HA   VAL  56           HA       VAL  56 -21.995   8.459  -2.605
  420    HB   VAL  56           HB       VAL  56 -24.761   9.183  -3.674
  421   1HG1  VAL  56          1HG1      VAL  56 -23.976   7.331  -1.377
  422   2HG1  VAL  56          2HG1      VAL  56 -25.621   7.890  -1.730
  423   3HG1  VAL  56          3HG1      VAL  56 -24.787   6.850  -2.883
  424   1HG2  VAL  56          1HG2      VAL  56 -23.727  10.970  -2.276
  425   2HG2  VAL  56          2HG2      VAL  56 -25.062  10.192  -1.428
  426   3HG2  VAL  56          3HG2      VAL  56 -23.372   9.791  -1.032
  427    H    THR  57           H        THR  57 -23.622   8.479  -5.825
  428    HA   THR  57           HA       THR  57 -23.675   5.634  -6.208
  429    HB   THR  57           HB       THR  57 -23.570   7.815  -8.334
  430    HG1  THR  57           1HG      THR  57 -25.332   8.225  -7.251
  431   1HG2  THR  57          1HG2      THR  57 -24.822   6.154  -9.708
  432   2HG2  THR  57          2HG2      THR  57 -23.180   5.616  -9.342
  433   3HG2  THR  57          3HG2      THR  57 -24.559   4.929  -8.446
  434    H    SER  58           H        SER  58 -21.276   8.080  -7.270
  435    HA   SER  58           HA       SER  58 -19.475   6.278  -8.559
  436   1HB   SER  58          2HB       SER  58 -18.890   8.923  -7.206
  437   2HB   SER  58          3HB       SER  58 -17.790   8.042  -8.286
  438    HG   SER  58           HG       SER  58 -20.299   9.219  -8.875
  439    H    CYS  59           H        CYS  59 -19.641   7.320  -5.139
  440    HA   CYS  59           HA       CYS  59 -17.391   5.886  -4.170
  441   1HB   CYS  59          2HB       CYS  59 -18.500   7.567  -2.867
  442   2HB   CYS  59          3HB       CYS  59 -20.025   6.727  -2.912
  443    H    VAL  60           H        VAL  60 -20.790   4.703  -4.403
  444    HA   VAL  60           HA       VAL  60 -20.265   2.015  -3.568
  445    HB   VAL  60           HB       VAL  60 -22.368   3.202  -5.392
  446   1HG1  VAL  60          1HG1      VAL  60 -22.204   0.316  -4.470
  447   2HG1  VAL  60          2HG1      VAL  60 -23.638   1.091  -5.172
  448   3HG1  VAL  60          3HG1      VAL  60 -22.185   0.901  -6.151
  449   1HG2  VAL  60          1HG2      VAL  60 -23.828   2.809  -3.480
  450   2HG2  VAL  60          2HG2      VAL  60 -22.518   1.976  -2.615
  451   3HG2  VAL  60          3HG2      VAL  60 -22.417   3.728  -2.937
  452    H    ASN  61           H        ASN  61 -20.156   3.395  -6.852
  453    HA   ASN  61           HA       ASN  61 -19.298   1.025  -8.222
  454   1HB   ASN  61          2HB       ASN  61 -19.138   3.996  -8.840
  455   2HB   ASN  61          3HB       ASN  61 -18.366   2.808  -9.882
  456   1HD2  ASN  61          2HD2      ASN  61 -21.557   3.797  -8.573
  457   2HD2  ASN  61          1HD2      ASN  61 -22.444   2.979  -9.864
  458    H    ALA  62           H        ALA  62 -17.304   3.636  -6.726
  459    HA   ALA  62           HA       ALA  62 -14.762   2.534  -7.420
  460   1HB   ALA  62          1HB       ALA  62 -13.949   4.068  -5.680
  461   2HB   ALA  62          2HB       ALA  62 -15.150   4.860  -6.708
  462   3HB   ALA  62          3HB       ALA  62 -15.602   4.303  -5.079
  463    H    THR  63           H        THR  63 -16.799   2.144  -4.526
  464    HA   THR  63           HA       THR  63 -15.168   0.396  -3.017
  465    HB   THR  63           HB       THR  63 -18.207   0.362  -3.075
  466    HG1  THR  63           1HG      THR  63 -17.497   2.423  -2.643
  467   1HG2  THR  63          1HG2      THR  63 -16.186  -0.347  -0.903
  468   2HG2  THR  63          2HG2      THR  63 -17.949  -0.332  -0.721
  469   3HG2  THR  63          3HG2      THR  63 -17.188  -1.508  -1.805
  470    H    GLN  64           H        GLN  64 -17.699  -0.525  -5.420
  471    HA   GLN  64           HA       GLN  64 -17.333  -3.290  -5.434
  472   1HB   GLN  64          2HB       GLN  64 -18.049  -1.357  -7.655
  473   2HB   GLN  64          3HB       GLN  64 -17.940  -3.097  -7.930
  474   1HG   GLN  64          2HG       GLN  64 -19.662  -3.556  -6.310
  475   2HG   GLN  64          3HG       GLN  64 -19.686  -1.865  -5.786
  476   1HE2  GLN  64          2HE2      GLN  64 -21.971  -1.669  -6.261
  477   2HE2  GLN  64          1HE2      GLN  64 -22.511  -1.604  -7.937
  478    H    ALA  65           H        ALA  65 -15.652  -0.983  -7.626
  479    HA   ALA  65           HA       ALA  65 -13.898  -2.771  -8.833
  480   1HB   ALA  65          1HB       ALA  65 -14.398  -0.507  -9.645
  481   2HB   ALA  65          2HB       ALA  65 -13.519   0.198  -8.269
  482   3HB   ALA  65          3HB       ALA  65 -12.648  -0.753  -9.490
  483    H    ALA  66           H        ALA  66 -13.359  -0.893  -5.851
  484    HA   ALA  66           HA       ALA  66 -10.621  -1.636  -5.479
  485   1HB   ALA  66          1HB       ALA  66 -11.622   0.403  -4.560
  486   2HB   ALA  66          2HB       ALA  66 -12.704  -0.561  -3.540
  487   3HB   ALA  66          3HB       ALA  66 -10.947  -0.594  -3.256
  488    H    ASN  67           H        ASN  67 -13.611  -3.193  -4.300
  489    HA   ASN  67           HA       ASN  67 -11.937  -5.184  -2.794
  490   1HB   ASN  67          2HB       ASN  67 -14.695  -4.273  -1.941
  491   2HB   ASN  67          3HB       ASN  67 -13.498  -5.149  -1.005
  492   1HD2  ASN  67          2HD2      ASN  67 -14.516  -2.051  -2.194
  493   2HD2  ASN  67          1HD2      ASN  67 -13.529  -1.074  -1.122
  494    H    GLN  68           H        GLN  68 -12.625  -5.645  -5.414
  495    HA   GLN  68           HA       GLN  68 -14.951  -7.050  -6.030
  496   1HB   GLN  68          2HB       GLN  68 -12.127  -7.485  -7.074
  497   2HB   GLN  68          3HB       GLN  68 -13.570  -8.224  -7.786
  498   1HG   GLN  68          2HG       GLN  68 -14.534  -5.982  -8.201
  499   2HG   GLN  68          3HG       GLN  68 -13.080  -5.237  -7.534
  500   1HE2  GLN  68          2HE2      GLN  68 -14.497  -5.798 -10.453
  501   2HE2  GLN  68          1HE2      GLN  68 -13.033  -6.003 -11.409
  502    H    ALA  69           H        ALA  69 -11.982  -8.508  -4.694
  503    HA   ALA  69           HA       ALA  69 -12.728 -11.220  -4.753
  504   1HB   ALA  69          1HB       ALA  69 -10.448 -10.409  -4.306
  505   2HB   ALA  69          2HB       ALA  69 -10.968  -9.760  -2.732
  506   3HB   ALA  69          3HB       ALA  69 -10.992 -11.511  -3.029
  507    H    GLU  70           H        GLU  70 -13.282  -8.876  -2.109
  508    HA   GLU  70           HA       GLU  70 -14.504 -10.638  -0.227
  509   1HB   GLU  70          2HB       GLU  70 -14.903  -7.652  -0.666
  510   2HB   GLU  70          3HB       GLU  70 -15.473  -8.540   0.740
  511   1HG   GLU  70          2HG       GLU  70 -12.528  -8.392  -0.060
  512   2HG   GLU  70          3HG       GLU  70 -13.302  -7.256   1.024
  513    H    PHE  71           H        PHE  71 -16.074  -8.501  -2.647
  514    HA   PHE  71           HA       PHE  71 -18.739  -9.418  -2.159
  515   1HB   PHE  71          2HB       PHE  71 -17.562  -8.257  -4.711
  516   2HB   PHE  71          3HB       PHE  71 -19.278  -8.401  -4.339
  517    HD1  PHE  71           HD1      PHE  71 -19.769  -7.426  -1.734
  518    HD2  PHE  71           HD2      PHE  71 -16.818  -6.019  -4.564
  519    HE1  PHE  71           HE1      PHE  71 -19.661  -5.258  -0.557
  520    HE2  PHE  71           HE2      PHE  71 -16.685  -3.882  -3.340
  521    HZ   PHE  71           HZ       PHE  71 -18.094  -3.497  -1.337
  522    H    SER  72           H        SER  72 -16.304 -10.583  -4.482
  523    HA   SER  72           HA       SER  72 -17.898 -12.549  -5.799
  524   1HB   SER  72          2HB       SER  72 -14.905 -12.617  -5.240
  525   2HB   SER  72          3HB       SER  72 -15.774 -13.645  -6.389
  526    HG   SER  72           HG       SER  72 -15.488 -10.813  -6.453
  527    H    ARG  73           H        ARG  73 -15.791 -12.909  -2.949
  528    HA   ARG  73           HA       ARG  73 -16.304 -15.666  -2.333
  529   1HB   ARG  73          2HB       ARG  73 -15.490 -13.286  -0.615
  530   2HB   ARG  73          3HB       ARG  73 -15.572 -14.935   0.005
  531   1HG   ARG  73          2HG       ARG  73 -13.798 -15.694  -1.384
  532   2HG   ARG  73          3HG       ARG  73 -13.857 -14.256  -2.413
  533   1HD   ARG  73          2HD       ARG  73 -13.184 -12.841  -0.491
  534   2HD   ARG  73          3HD       ARG  73 -13.069 -14.287   0.532
  535    HE   ARG  73           HE       ARG  73 -11.413 -14.912  -1.563
  536   1HH1  ARG  73          1HH2      ARG  73 -11.447 -12.077   0.548
  537   2HH1  ARG  73          2HH2      ARG  73  -9.727 -11.873   0.384
  538   1HH2  ARG  73          1HH1      ARG  73  -9.256 -14.551  -1.714
  539   2HH2  ARG  73          2HH1      ARG  73  -8.527 -13.220  -0.861
  540    H    GLU  74           H        GLU  74 -17.738 -12.785  -0.796
  541    HA   GLU  74           HA       GLU  74 -19.683 -14.398   0.696
  542   1HB   GLU  74          2HB       GLU  74 -19.190 -11.395   0.517
  543   2HB   GLU  74          3HB       GLU  74 -20.358 -12.144   1.601
  544   1HG   GLU  74          2HG       GLU  74 -17.353 -12.643   1.654
  545   2HG   GLU  74          3HG       GLU  74 -18.260 -11.615   2.759
  546    H    LYS  75           H        LYS  75 -20.131 -14.859  -1.861
  547    HA   LYS  75           HA       LYS  75 -22.963 -14.018  -2.229
  548   1HB   LYS  75          2HB       LYS  75 -21.571 -12.404  -3.500
  549   2HB   LYS  75          3HB       LYS  75 -20.927 -13.730  -4.480
  550   1HG   LYS  75          2HG       LYS  75 -23.183 -14.186  -5.360
  551   2HG   LYS  75          3HG       LYS  75 -23.882 -12.983  -4.255
  552   1HD   LYS  75          2HD       LYS  75 -22.576 -11.195  -5.376
  553   2HD   LYS  75          3HD       LYS  75 -21.876 -12.399  -6.481
  554   1HE   LYS  75          2HE       LYS  75 -24.157 -12.967  -7.295
  555   2HE   LYS  75          3HE       LYS  75 -24.851 -11.771  -6.194
  556   1HZ   LYS  75          1HZ       LYS  75 -23.620 -10.043  -7.400
  557   2HZ   LYS  75          2HZ       LYS  75 -22.979 -11.150  -8.420
  558   3HZ   LYS  75          3HZ       LYS  75 -24.584 -10.863  -8.429
  559    H    GLN  76           H        GLN  76 -20.365 -16.226  -3.128
  560    HA   GLN  76           HA       GLN  76 -21.578 -17.988  -4.871
  561   1HB   GLN  76          2HB       GLN  76 -19.737 -18.784  -2.578
  562   2HB   GLN  76          3HB       GLN  76 -20.056 -19.721  -4.034
  563   1HG   GLN  76          2HG       GLN  76 -18.575 -17.076  -3.833
  564   2HG   GLN  76          3HG       GLN  76 -17.911 -18.647  -4.247
  565   1HE2  GLN  76          2HE2      GLN  76 -18.701 -15.768  -5.634
  566   2HE2  GLN  76          1HE2      GLN  76 -19.110 -16.350  -7.256
  567    H    ASP  77           H        ASP  77 -21.800 -18.231  -1.326
  568    HA   ASP  77           HA       ASP  77 -24.507 -19.395  -1.594
  569   1HB   ASP  77          2HB       ASP  77 -22.972 -21.334  -1.360
  570   2HB   ASP  77          3HB       ASP  77 -22.358 -20.663   0.150
  571    H    SER  78           H        SER  78 -24.317 -16.896  -1.189
  572    HA   SER  78           HA       SER  78 -25.140 -16.397   1.603
  573   1HB   SER  78          2HB       SER  78 -22.654 -16.066   1.552
  574   2HB   SER  78          3HB       SER  78 -22.908 -14.747   0.391
  575    HG   SER  78           HG       SER  78 -22.841 -14.241   2.750
  576    H    LYS  79           H        LYS  79 -26.748 -15.042   1.652
  577    HA   LYS  79           HA       LYS  79 -27.404 -13.234  -0.663
  578   1HB   LYS  79          2HB       LYS  79 -28.747 -15.328  -0.654
  579   2HB   LYS  79          3HB       LYS  79 -29.381 -14.911   0.941
  580   1HG   LYS  79          2HG       LYS  79 -30.314 -12.786  -0.034
  581   2HG   LYS  79          3HG       LYS  79 -29.737 -13.284  -1.625
  582   1HD   LYS  79          2HD       LYS  79 -31.766 -14.757   0.118
  583   2HD   LYS  79          3HD       LYS  79 -32.162 -13.748  -1.267
  584   1HE   LYS  79          2HE       LYS  79 -30.538 -16.334  -1.382
  585   2HE   LYS  79          3HE       LYS  79 -32.258 -16.194  -1.738
  586   1HZ   LYS  79          1HZ       LYS  79 -31.703 -14.685  -3.569
  587   2HZ   LYS  79          2HZ       LYS  79 -30.102 -14.837  -3.268
  588   3HZ   LYS  79          3HZ       LYS  79 -30.966 -16.124  -3.771
  589    H    LEU  80           H        LEU  80 -28.424 -13.830   2.691
  590    HA   LEU  80           HA       LEU  80 -29.298 -11.268   3.371
  591   1HB   LEU  80          2HB       LEU  80 -29.663 -13.299   4.690
  592   2HB   LEU  80          3HB       LEU  80 -27.953 -13.367   5.112
  593    HG   LEU  80           HG       LEU  80 -28.155 -11.309   6.444
  594   1HD1  LEU  80          1HD1      LEU  80 -31.115 -11.368   5.697
  595   2HD1  LEU  80          2HD1      LEU  80 -30.384 -10.345   6.954
  596   3HD1  LEU  80          3HD1      LEU  80 -29.946 -10.098   5.260
  597   1HD2  LEU  80          1HD2      LEU  80 -28.606 -13.478   7.506
  598   2HD2  LEU  80          2HD2      LEU  80 -29.669 -12.242   8.199
  599   3HD2  LEU  80          3HD2      LEU  80 -30.313 -13.390   7.020
  600    H    HIS  81           H        HIS  81 -25.894 -12.483   3.563
  601    HA   HIS  81           HA       HIS  81 -24.817 -10.166   4.754
  602   1HB   HIS  81          2HB       HIS  81 -23.678 -12.426   4.353
  603   2HB   HIS  81          3HB       HIS  81 -23.321 -11.854   2.738
  604    HD1  HIS  81           HD1      HIS  81 -20.751 -12.378   4.254
  605    HD2  HIS  81           HD2      HIS  81 -22.972  -8.804   4.837
  606    HE1  HIS  81           HE1      HIS  81 -19.201 -10.700   5.421
  607    HE2  HIS  81           HE2      HIS  81 -20.550  -8.528   5.739
  608    H    GLN  82           H        GLN  82 -25.061 -10.876   1.219
  609    HA   GLN  82           HA       GLN  82 -24.014  -8.452   0.217
  610   1HB   GLN  82          2HB       GLN  82 -26.237 -10.207  -0.894
  611   2HB   GLN  82          3HB       GLN  82 -25.579  -8.821  -1.754
  612   1HG   GLN  82          2HG       GLN  82 -23.894 -11.183  -0.851
  613   2HG   GLN  82          3HG       GLN  82 -24.643 -11.048  -2.438
  614   1HE2  GLN  82          2HE2      GLN  82 -21.707 -10.856  -1.232
  615   2HE2  GLN  82          1HE2      GLN  82 -21.063  -9.540  -2.224
  616    H    ARG  83           H        ARG  83 -27.455  -9.115   0.952
  617    HA   ARG  83           HA       ARG  83 -28.547  -6.577   0.313
  618   1HB   ARG  83          2HB       ARG  83 -29.389  -8.523   2.510
  619   2HB   ARG  83          3HB       ARG  83 -30.367  -7.176   1.952
  620   1HG   ARG  83          2HG       ARG  83 -29.463  -9.501   0.189
  621   2HG   ARG  83          3HG       ARG  83 -31.012  -9.420   1.012
  622   1HD   ARG  83          2HD       ARG  83 -30.061  -7.418  -1.080
  623   2HD   ARG  83          3HD       ARG  83 -31.114  -8.805  -1.390
  624    HE   ARG  83           HE       ARG  83 -32.300  -7.287   0.700
  625   1HH1  ARG  83          1HH2      ARG  83 -31.744  -6.931  -2.736
  626   2HH1  ARG  83          2HH2      ARG  83 -33.136  -5.896  -2.939
  627   1HH2  ARG  83          1HH1      ARG  83 -34.035  -5.967   0.383
  628   2HH2  ARG  83          2HH1      ARG  83 -34.390  -5.372  -1.215
  629    H    VAL  84           H        VAL  84 -27.467  -7.609   3.523
  630    HA   VAL  84           HA       VAL  84 -27.781  -5.050   4.815
  631    HB   VAL  84           HB       VAL  84 -26.011  -7.392   5.599
  632   1HG1  VAL  84          1HG1      VAL  84 -25.531  -5.235   6.869
  633   2HG1  VAL  84          2HG1      VAL  84 -27.220  -5.267   7.412
  634   3HG1  VAL  84          3HG1      VAL  84 -26.134  -6.575   7.866
  635   1HG2  VAL  84          1HG2      VAL  84 -28.430  -8.034   5.398
  636   2HG2  VAL  84          2HG2      VAL  84 -27.886  -8.034   7.071
  637   3HG2  VAL  84          3HG2      VAL  84 -28.856  -6.678   6.442
  638    H    LEU  85           H        LEU  85 -24.870  -6.639   3.450
  639    HA   LEU  85           HA       LEU  85 -22.968  -4.657   4.051
  640   1HB   LEU  85          2HB       LEU  85 -22.498  -6.969   3.369
  641   2HB   LEU  85          3HB       LEU  85 -23.070  -6.620   1.737
  642    HG   LEU  85           HG       LEU  85 -21.175  -5.073   1.396
  643   1HD1  LEU  85          1HD1      LEU  85 -20.305  -5.962   4.188
  644   2HD1  LEU  85          2HD1      LEU  85 -19.299  -5.059   3.032
  645   3HD1  LEU  85          3HD1      LEU  85 -20.750  -4.306   3.695
  646   1HD2  LEU  85          1HD2      LEU  85 -20.955  -7.473   0.837
  647   2HD2  LEU  85          2HD2      LEU  85 -19.406  -6.812   1.389
  648   3HD2  LEU  85          3HD2      LEU  85 -20.380  -7.817   2.484
  649    H    TRP  86           H        TRP  86 -24.938  -4.932   1.047
  650    HA   TRP  86           HA       TRP  86 -23.837  -2.561  -0.127
  651   1HB   TRP  86          2HB       TRP  86 -26.358  -4.145  -0.649
  652   2HB   TRP  86          3HB       TRP  86 -26.012  -2.648  -1.519
  653    HD1  TRP  86           HD1      TRP  86 -25.419  -6.204  -1.913
  654    HE1  TRP  86           HE1      TRP  86 -23.298  -6.792  -3.199
  655    HE3  TRP  86           HE3      TRP  86 -23.379  -1.519  -2.179
  656    HZ2  TRP  86           HZ2      TRP  86 -20.866  -5.395  -4.044
  657    HZ3  TRP  86           HZ3      TRP  86 -21.129  -1.169  -3.146
  658    HH2  TRP  86           HH2      TRP  86 -19.817  -3.138  -3.969
  659    H    ARG  87           H        ARG  87 -26.738  -2.928   1.903
  660    HA   ARG  87           HA       ARG  87 -27.450  -0.131   1.917
  661   1HB   ARG  87          2HB       ARG  87 -28.988  -1.826   2.741
  662   2HB   ARG  87          3HB       ARG  87 -27.845  -2.318   3.982
  663   1HG   ARG  87          2HG       ARG  87 -29.596  -0.994   4.982
  664   2HG   ARG  87          3HG       ARG  87 -28.081  -0.110   5.103
  665   1HD   ARG  87          2HD       ARG  87 -28.764   1.262   3.110
  666   2HD   ARG  87          3HD       ARG  87 -30.307   0.400   3.067
  667    HE   ARG  87           HE       ARG  87 -29.520   2.559   4.881
  668   1HH1  ARG  87          1HH2      ARG  87 -31.778  -0.141   4.745
  669   2HH1  ARG  87          2HH2      ARG  87 -32.540   0.419   6.228
  670   1HH2  ARG  87          1HH1      ARG  87 -30.621   3.245   6.452
  671   2HH2  ARG  87          2HH1      ARG  87 -32.034   2.377   7.083
  672    H    LEU  88           H        LEU  88 -25.341  -1.955   4.124
  673    HA   LEU  88           HA       LEU  88 -24.423   0.134   5.781
  674   1HB   LEU  88          2HB       LEU  88 -24.120  -2.177   6.287
  675   2HB   LEU  88          3HB       LEU  88 -23.183  -2.474   4.853
  676    HG   LEU  88           HG       LEU  88 -21.981  -2.491   7.028
  677   1HD1  LEU  88          1HD1      LEU  88 -20.847  -2.189   4.800
  678   2HD1  LEU  88          2HD1      LEU  88 -20.773  -0.449   5.154
  679   3HD1  LEU  88          3HD1      LEU  88 -19.971  -1.603   6.219
  680   1HD2  LEU  88          1HD2      LEU  88 -21.241  -0.442   8.052
  681   2HD2  LEU  88          2HD2      LEU  88 -22.233   0.528   6.950
  682   3HD2  LEU  88          3HD2      LEU  88 -23.010  -0.573   8.114
  683    H    ILE  89           H        ILE  89 -22.809  -1.047   2.788
  684    HA   ILE  89           HA       ILE  89 -20.837   0.981   2.569
  685    HB   ILE  89           HB       ILE  89 -22.259  -0.681   0.466
  686   1HG1  ILE  89          2HG1      ILE  89 -19.368  -0.809   1.448
  687   2HG1  ILE  89          3HG1      ILE  89 -20.656  -1.728   2.208
  688   1HG2  ILE  89          1HG2      ILE  89 -21.502   1.372  -0.670
  689   2HG2  ILE  89          2HG2      ILE  89 -19.893   1.208   0.047
  690   3HG2  ILE  89          3HG2      ILE  89 -20.480   0.031  -1.140
  691   1HD1  ILE  89          1HD1      ILE  89 -19.493  -3.143   0.652
  692   2HD1  ILE  89          2HD1      ILE  89 -21.136  -2.860   0.039
  693   3HD1  ILE  89          3HD1      ILE  89 -19.751  -2.009  -0.683
  694    H    LYS  90           H        LYS  90 -24.131   0.974   1.133
  695    HA   LYS  90           HA       LYS  90 -23.956   3.553  -0.037
  696   1HB   LYS  90          2HB       LYS  90 -25.640   1.773  -0.552
  697   2HB   LYS  90          3HB       LYS  90 -26.472   2.160   0.965
  698   1HG   LYS  90          2HG       LYS  90 -26.857   4.474   0.160
  699   2HG   LYS  90          3HG       LYS  90 -25.997   4.111  -1.342
  700   1HD   LYS  90          2HD       LYS  90 -28.548   2.722  -0.393
  701   2HD   LYS  90          3HD       LYS  90 -28.489   4.070  -1.539
  702   1HE   LYS  90          2HE       LYS  90 -27.084   2.701  -3.077
  703   2HE   LYS  90          3HE       LYS  90 -27.199   1.337  -1.958
  704   1HZ   LYS  90          1HZ       LYS  90 -28.858   1.171  -3.721
  705   2HZ   LYS  90          2HZ       LYS  90 -29.617   1.355  -2.288
  706   3HZ   LYS  90          3HZ       LYS  90 -29.506   2.614  -3.329
  707    H    GLU  91           H        GLU  91 -25.151   2.727   3.234
  708    HA   GLU  91           HA       GLU  91 -25.822   5.383   4.064
  709   1HB   GLU  91          2HB       GLU  91 -24.798   2.973   5.601
  710   2HB   GLU  91          3HB       GLU  91 -25.230   4.473   6.399
  711   1HG   GLU  91          2HG       GLU  91 -27.157   2.903   4.632
  712   2HG   GLU  91          3HG       GLU  91 -26.995   2.655   6.362
  713    H    ILE  92           H        ILE  92 -22.670   3.679   4.322
  714    HA   ILE  92           HA       ILE  92 -21.181   5.878   5.395
  715    HB   ILE  92           HB       ILE  92 -20.267   3.507   3.726
  716   1HG1  ILE  92          2HG1      ILE  92 -20.033   4.099   6.709
  717   2HG1  ILE  92          3HG1      ILE  92 -21.299   3.097   6.016
  718   1HG2  ILE  92          1HG2      ILE  92 -17.964   4.080   4.578
  719   2HG2  ILE  92          2HG2      ILE  92 -18.589   5.283   3.465
  720   3HG2  ILE  92          3HG2      ILE  92 -18.608   5.601   5.217
  721   1HD1  ILE  92          1HD1      ILE  92 -19.660   1.611   6.847
  722   2HD1  ILE  92          2HD1      ILE  92 -19.526   1.570   5.076
  723   3HD1  ILE  92          3HD1      ILE  92 -18.335   2.466   6.047
  724    H    CYS  93           H        CYS  93 -21.594   4.885   1.965
  725    HA   CYS  93           HA       CYS  93 -20.201   7.082   0.802
  726   1HB   CYS  93          2HB       CYS  93 -22.461   5.355  -0.234
  727   2HB   CYS  93          3HB       CYS  93 -21.648   6.570  -1.209
  728    H    SER  94           H        SER  94 -23.673   6.839   1.635
  729    HA   SER  94           HA       SER  94 -24.595   9.335   0.710
  730   1HB   SER  94          2HB       SER  94 -25.528   7.790   3.144
  731   2HB   SER  94          3HB       SER  94 -26.381   9.142   2.383
  732    HG   SER  94           HG       SER  94 -25.732   6.629   1.228
  733    H    ALA  95           H        ALA  95 -22.953   8.626   3.777
  734    HA   ALA  95           HA       ALA  95 -23.323  11.194   4.979
  735   1HB   ALA  95          1HB       ALA  95 -21.666  10.398   6.585
  736   2HB   ALA  95          2HB       ALA  95 -22.802   9.093   6.193
  737   3HB   ALA  95          3HB       ALA  95 -21.171   9.098   5.484
  738    H    LYS  96           H        LYS  96 -21.192  10.331   2.391
  739    HA   LYS  96           HA       LYS  96 -18.987  12.122   3.050
  740   1HB   LYS  96          2HB       LYS  96 -19.589  10.739   0.404
  741   2HB   LYS  96          3HB       LYS  96 -18.051  11.442   0.927
  742   1HG   LYS  96          2HG       LYS  96 -18.125   9.772   2.878
  743   2HG   LYS  96          3HG       LYS  96 -19.463   8.993   2.000
  744   1HD   LYS  96          2HD       LYS  96 -18.082   8.508   0.108
  745   2HD   LYS  96          3HD       LYS  96 -16.718   9.419   0.775
  746   1HE   LYS  96          2HE       LYS  96 -17.955   7.020   2.205
  747   2HE   LYS  96          3HE       LYS  96 -16.663   6.845   1.022
  748   1HZ   LYS  96          1HZ       LYS  96 -15.602   7.001   3.119
  749   2HZ   LYS  96          2HZ       LYS  96 -15.354   8.450   2.436
  750   3HZ   LYS  96          3HZ       LYS  96 -16.490   8.297   3.603
  751    H    HIS  97           H        HIS  97 -20.802  13.863   3.333
  752    HA   HIS  97           HA       HIS  97 -21.604  15.338   0.987
  753   1HB   HIS  97          2HB       HIS  97 -22.198  17.150   2.658
  754   2HB   HIS  97          3HB       HIS  97 -22.951  15.584   2.883
  755    HD1  HIS  97           HD1      HIS  97 -19.439  16.427   4.274
  756    HD2  HIS  97           HD2      HIS  97 -23.445  15.762   5.421
  757    HE1  HIS  97           HE1      HIS  97 -19.444  16.274   6.868
  758    HE2  HIS  97           HE2      HIS  97 -21.894  15.864   7.556
  759    H    CYS  98           H        CYS  98 -20.573  16.783  -0.263
  760    HA   CYS  98           HA       CYS  98 -17.755  17.338   0.318
  761   1HB   CYS  98          2HB       CYS  98 -18.624  16.679  -1.959
  762   2HB   CYS  98          3HB       CYS  98 -19.369  18.279  -2.050
  763    H    ASP  99           H        ASP  99 -16.756  19.252   0.598
  764    HA   ASP  99           HA       ASP  99 -18.001  21.311   2.096
  765   1HB   ASP  99          2HB       ASP  99 -15.629  20.662   2.250
  766   2HB   ASP  99          3HB       ASP  99 -15.339  21.273   0.621
  767    H    PHE 100           H        PHE 100 -16.951  21.352  -1.352
  768    HA   PHE 100           HA       PHE 100 -17.594  24.131  -1.689
  769   1HB   PHE 100          2HB       PHE 100 -17.083  23.775  -4.064
  770   2HB   PHE 100          3HB       PHE 100 -15.845  23.246  -2.956
  771    HD1  PHE 100           HD1      PHE 100 -18.892  21.559  -4.544
  772    HD2  PHE 100           HD2      PHE 100 -14.634  21.494  -3.831
  773    HE1  PHE 100           HE1      PHE 100 -18.728  19.383  -5.701
  774    HE2  PHE 100           HE2      PHE 100 -14.467  19.372  -5.057
  775    HZ   PHE 100           HZ       PHE 100 -16.543  18.253  -5.939
  776    H    TRP 101           H        TRP 101 -19.812  21.560  -1.609
  777    HA   TRP 101           HA       TRP 101 -21.557  22.185  -3.740
  778   1HB   TRP 101          2HB       TRP 101 -22.110  20.998  -1.007
  779   2HB   TRP 101          3HB       TRP 101 -23.349  21.172  -2.240
  780    HD1  TRP 101           HD1      TRP 101 -20.972  20.279  -4.564
  781    HE1  TRP 101           HE1      TRP 101 -20.851  17.791  -5.008
  782    HE3  TRP 101           HE3      TRP 101 -23.272  18.573  -0.304
  783    HZ2  TRP 101           HZ2      TRP 101 -21.380  15.350  -3.598
  784    HZ3  TRP 101           HZ3      TRP 101 -23.507  16.126   0.073
  785    HH2  TRP 101           HH2      TRP 101 -22.482  14.501  -1.534
  786    H    LEU 102           H        LEU 102 -22.974  23.582  -4.235
  787    HA   LEU 102           HA       LEU 102 -23.136  26.127  -2.916
  788   1HB   LEU 102          2HB       LEU 102 -24.605  24.914  -5.309
  789   2HB   LEU 102          3HB       LEU 102 -24.824  26.563  -4.752
  790    HG   LEU 102           HG       LEU 102 -22.332  26.951  -5.098
  791   1HD1  LEU 102          1HD1      LEU 102 -22.563  24.335  -6.660
  792   2HD1  LEU 102          2HD1      LEU 102 -21.264  25.527  -6.873
  793   3HD1  LEU 102          3HD1      LEU 102 -21.424  24.699  -5.337
  794   1HD2  LEU 102          1HD2      LEU 102 -22.637  27.326  -7.514
  795   2HD2  LEU 102          2HD2      LEU 102 -24.052  26.247  -7.514
  796   3HD2  LEU 102          3HD2      LEU 102 -24.090  27.782  -6.617
  797    H    GLU 103           H        GLU 103 -25.043  27.232  -2.225
  798    HA   GLU 103           HA       GLU 103 -26.859  25.683  -0.550
  799   1HB   GLU 103          2HB       GLU 103 -25.985  27.916   0.062
  800   2HB   GLU 103          3HB       GLU 103 -26.883  28.642  -1.275
  801   1HG   GLU 103          2HG       GLU 103 -29.019  27.859  -0.249
  802   2HG   GLU 103          3HG       GLU 103 -28.110  27.091   1.053
  803    H    ARG 104           H        ARG 104 -28.291  24.426  -1.575
  804    HA   ARG 104           HA       ARG 104 -30.183  25.610  -3.576
  805   1HB   ARG 104          2HB       ARG 104 -29.266  22.715  -3.545
  806   2HB   ARG 104          3HB       ARG 104 -30.312  23.484  -4.723
  807   1HG   ARG 104          2HG       ARG 104 -27.319  23.839  -4.376
  808   2HG   ARG 104          3HG       ARG 104 -28.177  23.090  -5.708
  809   1HD   ARG 104          2HD       ARG 104 -27.918  26.032  -5.074
  810   2HD   ARG 104          3HD       ARG 104 -27.379  25.169  -6.490
  811    HE   ARG 104           HE       ARG 104 -29.726  24.892  -7.191
  812   1HH1  ARG 104          1HH2      ARG 104 -29.260  27.395  -4.742
  813   2HH1  ARG 104          2HH2      ARG 104 -30.628  28.301  -5.337
  814   1HH2  ARG 104          1HH1      ARG 104 -31.474  26.066  -7.799
  815   2HH2  ARG 104          2HH1      ARG 104 -31.862  27.549  -6.973
  816    H    GLY 105           H        GLY 105 -32.286  24.828  -3.581
  817   1HA   GLY 105          2HA       GLY 105 -33.367  24.130  -0.928
  818   2HA   GLY 105          3HA       GLY 105 -34.281  24.569  -2.370
  819    H    ALA 106           H        ALA 106 -35.135  22.547  -0.761
  820    HA   ALA 106           HA       ALA 106 -34.393  19.896  -1.614
  821   1HB   ALA 106          1HB       ALA 106 -36.443  19.240  -0.404
  822   2HB   ALA 106          2HB       ALA 106 -35.483  20.387   0.547
  823   3HB   ALA 106          3HB       ALA 106 -36.945  20.941  -0.305
  824    H    ALA 107           H        ALA 107 -35.560  18.427  -2.885
  825    HA   ALA 107           HA       ALA 107 -37.641  19.345  -4.771
  826   1HB   ALA 107          1HB       ALA 107 -36.372  18.492  -6.712
  827   2HB   ALA 107          2HB       ALA 107 -35.508  19.827  -5.926
  828   3HB   ALA 107          3HB       ALA 107 -34.978  18.148  -5.667
  Start of MODEL    3
    1   1H    ARG   1          H1        ARG   1  13.793   1.311   2.890
    2   2H    ARG   1          H2        ARG   1  12.508   0.312   2.776
    3   3H    ARG   1          H3        ARG   1  13.981  -0.289   3.179
    4    HA   ARG   1           HA       ARG   1  14.880   0.307   1.038
    5   1HB   ARG   1          2HB       ARG   1  13.908  -1.434  -0.278
    6   2HB   ARG   1          3HB       ARG   1  13.980  -1.975   1.389
    7   1HG   ARG   1          2HG       ARG   1  11.530  -1.507   1.636
    8   2HG   ARG   1          3HG       ARG   1  11.477  -0.973  -0.059
    9   1HD   ARG   1          2HD       ARG   1  12.277  -3.216  -0.773
   10   2HD   ARG   1          3HD       ARG   1  12.267  -3.745   0.922
   11    HE   ARG   1           HE       ARG   1   9.689  -2.698   0.251
   12   1HH1  ARG   1          1HH2      ARG   1  11.598  -5.548  -0.416
   13   2HH1  ARG   1          2HH2      ARG   1  10.182  -6.529  -0.702
   14   1HH2  ARG   1          1HH1      ARG   1   7.948  -3.982  -0.124
   15   2HH2  ARG   1          2HH1      ARG   1   8.177  -5.655  -0.549
   16    H    VAL   2           H        VAL   2  14.134   0.568  -1.342
   17    HA   VAL   2           HA       VAL   2  12.690   3.157  -1.453
   18    HB   VAL   2           HB       VAL   2  14.349   1.831  -3.619
   19   1HG1  VAL   2          1HG1      VAL   2  14.404   4.108  -4.587
   20   2HG1  VAL   2          2HG1      VAL   2  12.749   3.505  -4.509
   21   3HG1  VAL   2          3HG1      VAL   2  13.314   4.686  -3.308
   22   1HG2  VAL   2          1HG2      VAL   2  16.073   3.506  -3.003
   23   2HG2  VAL   2          2HG2      VAL   2  15.092   3.990  -1.603
   24   3HG2  VAL   2          3HG2      VAL   2  15.784   2.354  -1.700
   25    H    ALA   3           H        ALA   3  12.734   0.617  -3.990
   26    HA   ALA   3           HA       ALA   3   9.795   0.415  -4.034
   27   1HB   ALA   3          1HB       ALA   3  11.390   1.713  -6.303
   28   2HB   ALA   3          2HB       ALA   3   9.631   1.437  -6.274
   29   3HB   ALA   3          3HB       ALA   3  10.355   2.588  -5.155
   30    H    GLU   4           H        GLU   4   9.616  -0.479  -6.692
   31    HA   GLU   4           HA       GLU   4  10.305  -3.249  -6.606
   32   1HB   GLU   4          2HB       GLU   4   9.548  -1.462  -8.953
   33   2HB   GLU   4          3HB       GLU   4   9.630  -3.226  -9.012
   34   1HG   GLU   4          2HG       GLU   4   7.870  -3.380  -7.272
   35   2HG   GLU   4          3HG       GLU   4   7.755  -1.619  -7.224
   36    H    ASN   5           H        ASN   5  11.956  -0.540  -7.911
   37    HA   ASN   5           HA       ASN   5  14.375  -2.206  -8.580
   38   1HB   ASN   5          2HB       ASN   5  13.214   0.115 -10.165
   39   2HB   ASN   5          3HB       ASN   5  14.886  -0.404 -10.314
   40   1HD2  ASN   5          2HD2      ASN   5  12.976  -3.235  -9.825
   41   2HD2  ASN   5          1HD2      ASN   5  12.863  -3.608 -11.543
   42    H    ARG   6           H        ARG   6  14.450  -1.743  -6.234
   43    HA   ARG   6           HA       ARG   6  15.661   0.789  -5.386
   44   1HB   ARG   6          2HB       ARG   6  16.018  -0.293  -3.268
   45   2HB   ARG   6          3HB       ARG   6  14.419  -0.741  -3.855
   46   1HG   ARG   6          2HG       ARG   6  15.730  -2.862  -4.832
   47   2HG   ARG   6          3HG       ARG   6  16.929  -2.398  -3.626
   48   1HD   ARG   6          2HD       ARG   6  15.538  -4.050  -2.643
   49   2HD   ARG   6          3HD       ARG   6  15.061  -2.527  -1.895
   50    HE   ARG   6           HE       ARG   6  13.158  -2.523  -3.654
   51   1HH1  ARG   6          1HH1      ARG   6  14.427  -5.676  -2.624
   52   2HH1  ARG   6          2HH1      ARG   6  12.933  -6.437  -3.092
   53   1HH2  ARG   6          1HH2      ARG   6  11.436  -3.552  -4.194
   54   2HH2  ARG   6          2HH2      ARG   6  11.254  -5.278  -3.933
   55    HA   PRO   7           HA       PRO   7  19.796   0.097  -6.965
   56   1HB   PRO   7          2HB       PRO   7  20.733   1.020  -4.239
   57   2HB   PRO   7          3HB       PRO   7  21.318   1.504  -5.860
   58   1HG   PRO   7          2HG       PRO   7  19.630   3.113  -4.487
   59   2HG   PRO   7          3HG       PRO   7  19.371   2.838  -6.241
   60   1HD   PRO   7          2HD       PRO   7  17.946   1.540  -3.906
   61   2HD   PRO   7          3HD       PRO   7  17.272   2.196  -5.431
   62    H    GLY   8           H        GLY   8  20.448  -1.952  -7.234
   63   1HA   GLY   8          2HA       GLY   8  21.838  -3.807  -6.458
   64   2HA   GLY   8          3HA       GLY   8  20.993  -3.753  -4.918
   65    H    ALA   9           H        ALA   9  18.448  -3.277  -6.949
   66    HA   ALA   9           HA       ALA   9  17.374  -5.820  -6.407
   67   1HB   ALA   9          1HB       ALA   9  15.538  -5.147  -7.926
   68   2HB   ALA   9          2HB       ALA   9  16.001  -3.845  -6.822
   69   3HB   ALA   9          3HB       ALA   9  16.524  -3.794  -8.517
   70    H    PHE  10           H        PHE  10  17.424  -7.784  -7.320
   71    HA   PHE  10           HA       PHE  10  18.954  -8.540  -9.621
   72   1HB   PHE  10          2HB       PHE  10  16.574  -9.815  -8.214
   73   2HB   PHE  10          3HB       PHE  10  17.413 -10.574  -9.532
   74    HD1  PHE  10           HD1      PHE  10  17.026 -12.135  -7.290
   75    HD2  PHE  10           HD2      PHE  10  20.195  -9.267  -7.947
   76    HE1  PHE  10           HE1      PHE  10  18.529 -13.450  -5.825
   77    HE2  PHE  10           HE2      PHE  10  21.678 -10.600  -6.505
   78    HZ   PHE  10           HZ       PHE  10  20.859 -12.695  -5.440
   79    H    ILE  11           H        ILE  11  18.454  -8.933 -11.726
   80    HA   ILE  11           HA       ILE  11  15.677  -8.440 -12.719
   81    HB   ILE  11           HB       ILE  11  18.253  -7.920 -14.237
   82   1HG1  ILE  11          2HG1      ILE  11  16.214  -5.889 -13.208
   83   2HG1  ILE  11          3HG1      ILE  11  17.754  -6.216 -12.422
   84   1HG2  ILE  11          1HG2      ILE  11  16.723  -7.054 -15.986
   85   2HG2  ILE  11          2HG2      ILE  11  16.349  -8.733 -15.631
   86   3HG2  ILE  11          3HG2      ILE  11  15.321  -7.450 -14.967
   87   1HD1  ILE  11          1HD1      ILE  11  18.979  -5.500 -14.457
   88   2HD1  ILE  11          2HD1      ILE  11  17.427  -5.056 -15.212
   89   3HD1  ILE  11          3HD1      ILE  11  17.974  -4.213 -13.760
   90    H    LYS  12           H        LYS  12  14.993 -10.431 -12.582
   91    HA   LYS  12           HA       LYS  12  16.626 -12.793 -13.394
   92   1HB   LYS  12          2HB       LYS  12  13.959 -12.579 -11.946
   93   2HB   LYS  12          3HB       LYS  12  14.757 -14.098 -12.383
   94   1HG   LYS  12          2HG       LYS  12  16.754 -13.430 -11.064
   95   2HG   LYS  12          3HG       LYS  12  15.915 -11.968 -10.535
   96   1HD   LYS  12          2HD       LYS  12  14.907 -14.801 -10.029
   97   2HD   LYS  12          3HD       LYS  12  15.932 -13.902  -8.904
   98   1HE   LYS  12          2HE       LYS  12  14.216 -12.118  -8.743
   99   2HE   LYS  12          3HE       LYS  12  13.174 -13.020  -9.855
  100   1HZ   LYS  12          1HZ       LYS  12  14.082 -13.997  -7.185
  101   2HZ   LYS  12          2HZ       LYS  12  12.582 -13.455  -7.539
  102   3HZ   LYS  12          3HZ       LYS  12  13.129 -14.835  -8.219
  103    H    GLN  13           H        GLN  13  16.649 -12.249 -15.610
  104    HA   GLN  13           HA       GLN  13  14.243 -12.667 -17.250
  105   1HB   GLN  13          2HB       GLN  13  17.170 -12.712 -18.106
  106   2HB   GLN  13          3HB       GLN  13  15.756 -12.703 -19.154
  107   1HG   GLN  13          2HG       GLN  13  15.120 -10.488 -17.860
  108   2HG   GLN  13          3HG       GLN  13  16.833 -10.456 -17.435
  109   1HE2  GLN  13          2HE2      GLN  13  18.443 -10.307 -19.316
  110   2HE2  GLN  13          1HE2      GLN  13  17.819  -9.639 -20.824
  111    H    GLY  14           H        GLY  14  16.809 -14.649 -15.899
  112   1HA   GLY  14          2HA       GLY  14  16.953 -16.942 -15.598
  113   2HA   GLY  14          3HA       GLY  14  15.343 -17.094 -16.308
  114    H    ARG  15           H        ARG  15  18.582 -16.102 -17.365
  115    HA   ARG  15           HA       ARG  15  18.391 -17.685 -19.906
  116   1HB   ARG  15          2HB       ARG  15  18.066 -15.238 -20.188
  117   2HB   ARG  15          3HB       ARG  15  19.596 -14.938 -19.365
  118   1HG   ARG  15          2HG       ARG  15  20.846 -16.048 -21.175
  119   2HG   ARG  15          3HG       ARG  15  19.329 -16.525 -21.955
  120   1HD   ARG  15          2HD       ARG  15  20.266 -14.624 -23.105
  121   2HD   ARG  15          3HD       ARG  15  18.757 -14.146 -22.308
  122    HE   ARG  15           HE       ARG  15  20.561 -13.390 -20.417
  123   1HH1  ARG  15          1HH2      ARG  15  20.657 -12.658 -23.856
  124   2HH1  ARG  15          2HH2      ARG  15  21.502 -11.161 -23.551
  125   1HH2  ARG  15          1HH1      ARG  15  21.455 -11.598 -20.130
  126   2HH2  ARG  15          2HH1      ARG  15  21.975 -10.538 -21.445
  127    H    LYS  16           H        LYS  16  20.059 -18.959 -20.380
  128    HA   LYS  16           HA       LYS  16  22.039 -19.606 -18.374
  129   1HB   LYS  16          2HB       LYS  16  20.799 -21.182 -19.937
  130   2HB   LYS  16          3HB       LYS  16  21.866 -20.646 -21.232
  131   1HG   LYS  16          2HG       LYS  16  23.830 -21.427 -19.856
  132   2HG   LYS  16          3HG       LYS  16  22.696 -21.983 -18.611
  133   1HD   LYS  16          2HD       LYS  16  21.618 -23.478 -20.328
  134   2HD   LYS  16          3HD       LYS  16  22.842 -22.958 -21.502
  135   1HE   LYS  16          2HE       LYS  16  24.626 -23.815 -19.978
  136   2HE   LYS  16          3HE       LYS  16  23.382 -24.371 -18.853
  137   1HZ   LYS  16          1HZ       LYS  16  23.689 -25.327 -21.652
  138   2HZ   LYS  16          2HZ       LYS  16  24.131 -26.165 -20.326
  139   3HZ   LYS  16          3HZ       LYS  16  22.552 -25.854 -20.603
  140    H    LEU  17           H        LEU  17  23.541 -18.122 -18.016
  141    HA   LEU  17           HA       LEU  17  25.082 -16.700 -20.055
  142   1HB   LEU  17          2HB       LEU  17  25.473 -16.992 -17.048
  143   2HB   LEU  17          3HB       LEU  17  26.310 -15.831 -18.066
  144    HG   LEU  17           HG       LEU  17  23.284 -15.844 -17.645
  145   1HD1  LEU  17          1HD1      LEU  17  23.656 -13.952 -16.164
  146   2HD1  LEU  17          2HD1      LEU  17  24.497 -15.393 -15.566
  147   3HD1  LEU  17          3HD1      LEU  17  25.419 -14.101 -16.371
  148   1HD2  LEU  17          1HD2      LEU  17  23.898 -14.743 -19.742
  149   2HD2  LEU  17          2HD2      LEU  17  23.418 -13.544 -18.540
  150   3HD2  LEU  17          3HD2      LEU  17  25.142 -13.782 -18.901
  151    H    ASP  18           H        ASP  18  27.480 -16.750 -20.150
  152    HA   ASP  18           HA       ASP  18  28.660 -19.452 -19.863
  153   1HB   ASP  18          2HB       ASP  18  29.160 -17.022 -21.616
  154   2HB   ASP  18          3HB       ASP  18  30.352 -18.282 -21.402
  155    H    ILE  19           H        ILE  19  29.169 -19.400 -17.693
  156    HA   ILE  19           HA       ILE  19  31.466 -17.694 -16.848
  157    HB   ILE  19           HB       ILE  19  28.966 -18.262 -15.208
  158   1HG1  ILE  19          2HG1      ILE  19  30.103 -15.538 -15.974
  159   2HG1  ILE  19          3HG1      ILE  19  28.828 -16.339 -16.889
  160   1HG2  ILE  19          1HG2      ILE  19  30.103 -16.945 -13.394
  161   2HG2  ILE  19          2HG2      ILE  19  30.964 -18.426 -13.764
  162   3HG2  ILE  19          3HG2      ILE  19  31.566 -16.869 -14.387
  163   1HD1  ILE  19          1HD1      ILE  19  28.573 -15.473 -13.996
  164   2HD1  ILE  19          2HD1      ILE  19  27.816 -14.745 -15.418
  165   3HD1  ILE  19          3HD1      ILE  19  27.360 -16.387 -14.926
  166    H    ASP  20           H        ASP  20  33.074 -18.913 -16.037
  167    HA   ASP  20           HA       ASP  20  32.611 -21.788 -15.379
  168   1HB   ASP  20          2HB       ASP  20  34.417 -21.298 -16.943
  169   2HB   ASP  20          3HB       ASP  20  35.177 -20.217 -15.772
  170    H    PHE  21           H        PHE  21  31.488 -21.485 -13.521
  171    HA   PHE  21           HA       PHE  21  32.290 -20.063 -11.145
  172   1HB   PHE  21          2HB       PHE  21  30.500 -22.506 -11.488
  173   2HB   PHE  21          3HB       PHE  21  30.548 -21.453 -10.090
  174    HD1  PHE  21           HD1      PHE  21  29.692 -19.118 -10.246
  175    HD2  PHE  21           HD2      PHE  21  29.186 -21.934 -13.454
  176    HE1  PHE  21           HE1      PHE  21  27.913 -17.682 -11.223
  177    HE2  PHE  21           HE2      PHE  21  27.393 -20.523 -14.413
  178    HZ   PHE  21           HZ       PHE  21  26.724 -18.410 -13.284
  179    H    GLY  22           H        GLY  22  32.850 -23.248 -12.387
  180   1HA   GLY  22          2HA       GLY  22  34.939 -24.512 -11.536
  181   2HA   GLY  22          3HA       GLY  22  34.249 -24.252  -9.922
  182    H    ALA  23           H        ALA  23  34.712 -26.849 -11.022
  183    HA   ALA  23           HA       ALA  23  32.937 -28.091 -12.608
  184   1HB   ALA  23          1HB       ALA  23  34.916 -29.152 -11.656
  185   2HB   ALA  23          2HB       ALA  23  34.123 -29.270 -10.067
  186   3HB   ALA  23          3HB       ALA  23  33.492 -30.190 -11.450
  187    H    GLU  24           H        GLU  24  32.287 -28.004  -9.086
  188    HA   GLU  24           HA       GLU  24  29.678 -29.248  -9.266
  189   1HB   GLU  24          2HB       GLU  24  30.871 -27.475  -7.092
  190   2HB   GLU  24          3HB       GLU  24  29.377 -28.397  -6.936
  191   1HG   GLU  24          2HG       GLU  24  32.154 -29.580  -7.382
  192   2HG   GLU  24          3HG       GLU  24  31.291 -29.514  -5.854
  193    H    GLY  25           H        GLY  25  30.654 -25.832  -9.049
  194   1HA   GLY  25          2HA       GLY  25  28.008 -24.720  -8.943
  195   2HA   GLY  25          3HA       GLY  25  29.484 -23.847  -9.366
  196    H    ASN  26           H        ASN  26  30.176 -25.387 -11.670
  197    HA   ASN  26           HA       ASN  26  28.654 -24.238 -13.800
  198   1HB   ASN  26          2HB       ASN  26  30.548 -26.637 -13.740
  199   2HB   ASN  26          3HB       ASN  26  29.896 -25.917 -15.212
  200   1HD2  ASN  26          2HD2      ASN  26  32.657 -26.135 -14.858
  201   2HD2  ASN  26          1HD2      ASN  26  33.281 -24.491 -14.685
  202    H    ARG  27           H        ARG  27  28.667 -27.528 -12.448
  203    HA   ARG  27           HA       ARG  27  26.528 -28.640 -14.052
  204   1HB   ARG  27          2HB       ARG  27  27.659 -29.389 -11.324
  205   2HB   ARG  27          3HB       ARG  27  26.382 -30.306 -12.129
  206   1HG   ARG  27          2HG       ARG  27  27.816 -30.850 -13.998
  207   2HG   ARG  27          3HG       ARG  27  29.078 -29.753 -13.437
  208   1HD   ARG  27          2HD       ARG  27  29.717 -32.034 -12.897
  209   2HD   ARG  27          3HD       ARG  27  29.438 -31.113 -11.426
  210    HE   ARG  27           HE       ARG  27  27.657 -32.494 -10.871
  211   1HH1  ARG  27          1HH1      ARG  27  28.445 -33.230 -14.206
  212   2HH1  ARG  27          2HH1      ARG  27  27.387 -34.617 -14.231
  213   1HH2  ARG  27          1HH2      ARG  27  26.336 -34.245 -10.977
  214   2HH2  ARG  27          2HH2      ARG  27  26.233 -35.168 -12.451
  215    H    TYR  28           H        TYR  28  26.493 -27.092 -10.835
  216    HA   TYR  28           HA       TYR  28  23.709 -27.343 -10.333
  217   1HB   TYR  28          2HB       TYR  28  25.451 -26.782  -8.668
  218   2HB   TYR  28          3HB       TYR  28  25.656 -25.203  -9.398
  219    HD1  TYR  28           HD1      TYR  28  24.117 -23.409  -8.960
  220    HD2  TYR  28           HD2      TYR  28  23.238 -27.401  -7.587
  221    HE1  TYR  28           HE1      TYR  28  22.233 -22.525  -7.590
  222    HE2  TYR  28           HE2      TYR  28  21.336 -26.509  -6.232
  223    HH   TYR  28           HH       TYR  28  20.593 -23.013  -6.139
  224    H    TYR  29           H        TYR  29  25.502 -24.529 -11.683
  225    HA   TYR  29           HA       TYR  29  23.279 -22.888 -12.249
  226   1HB   TYR  29          2HB       TYR  29  25.648 -22.148 -12.242
  227   2HB   TYR  29          3HB       TYR  29  25.934 -23.044 -13.726
  228    HD1  TYR  29           HD1      TYR  29  25.344 -22.097 -15.853
  229    HD2  TYR  29           HD2      TYR  29  23.897 -20.283 -12.210
  230    HE1  TYR  29           HE1      TYR  29  24.434 -20.180 -17.157
  231    HE2  TYR  29           HE2      TYR  29  22.946 -18.406 -13.520
  232    HH   TYR  29           HH       TYR  29  22.546 -17.565 -15.605
  233    H    ALA  30           H        ALA  30  24.959 -25.142 -14.523
  234    HA   ALA  30           HA       ALA  30  23.357 -24.780 -16.766
  235   1HB   ALA  30          1HB       ALA  30  25.426 -26.098 -16.731
  236   2HB   ALA  30          2HB       ALA  30  24.633 -27.354 -15.753
  237   3HB   ALA  30          3HB       ALA  30  24.096 -27.050 -17.418
  238    H    ALA  31           H        ALA  31  22.561 -26.749 -13.927
  239    HA   ALA  31           HA       ALA  31  20.036 -27.730 -15.064
  240   1HB   ALA  31          1HB       ALA  31  19.875 -28.886 -12.884
  241   2HB   ALA  31          2HB       ALA  31  21.440 -29.169 -13.669
  242   3HB   ALA  31          3HB       ALA  31  21.323 -28.023 -12.319
  243    H    ASN  32           H        ASN  32  20.947 -24.914 -13.202
  244    HA   ASN  32           HA       ASN  32  18.094 -24.446 -12.401
  245   1HB   ASN  32          2HB       ASN  32  20.598 -24.049 -10.740
  246   2HB   ASN  32          3HB       ASN  32  18.981 -23.550 -10.268
  247   1HD2  ASN  32          2HD2      ASN  32  21.134 -26.236 -10.545
  248   2HD2  ASN  32          1HD2      ASN  32  20.049 -27.407  -9.775
  249    H    TYR  33           H        TYR  33  20.300 -23.037 -14.390
  250    HA   TYR  33           HA       TYR  33  20.622 -20.431 -13.746
  251   1HB   TYR  33          2HB       TYR  33  20.831 -19.892 -16.076
  252   2HB   TYR  33          3HB       TYR  33  21.609 -21.411 -15.693
  253    HD1  TYR  33           HD1      TYR  33  18.653 -19.854 -17.362
  254    HD2  TYR  33           HD2      TYR  33  20.958 -23.452 -16.772
  255    HE1  TYR  33           HE1      TYR  33  17.435 -20.946 -19.241
  256    HE2  TYR  33           HE2      TYR  33  19.773 -24.528 -18.667
  257    HH   TYR  33           HH       TYR  33  18.135 -24.309 -20.264
  258    H    TRP  34           H        TRP  34  17.543 -21.700 -14.801
  259    HA   TRP  34           HA       TRP  34  16.068 -19.384 -15.406
  260   1HB   TRP  34          2HB       TRP  34  14.110 -20.696 -14.814
  261   2HB   TRP  34          3HB       TRP  34  15.243 -21.622 -15.780
  262    HD1  TRP  34           HD1      TRP  34  16.497 -23.675 -14.598
  263    HE1  TRP  34           HE1      TRP  34  15.993 -25.053 -12.480
  264    HE3  TRP  34           HE3      TRP  34  12.949 -20.648 -12.463
  265    HZ2  TRP  34           HZ2      TRP  34  14.390 -24.805 -10.120
  266    HZ3  TRP  34           HZ3      TRP  34  11.888 -21.295 -10.305
  267    HH2  TRP  34           HH2      TRP  34  12.606 -23.357  -9.121
  268    H    GLN  35           H        GLN  35  16.976 -20.590 -12.186
  269    HA   GLN  35           HA       GLN  35  15.279 -18.804 -10.652
  270   1HB   GLN  35          2HB       GLN  35  17.894 -20.153  -9.835
  271   2HB   GLN  35          3HB       GLN  35  16.704 -19.420  -8.759
  272   1HG   GLN  35          2HG       GLN  35  15.018 -21.098  -9.569
  273   2HG   GLN  35          3HG       GLN  35  16.326 -21.922 -10.437
  274   1HE2  GLN  35          2HE2      GLN  35  18.428 -22.067  -8.769
  275   2HE2  GLN  35          1HE2      GLN  35  17.971 -22.823  -7.244
  276    H    PHE  36           H        PHE  36  18.562 -18.550 -11.899
  277    HA   PHE  36           HA       PHE  36  19.519 -16.570 -10.093
  278   1HB   PHE  36          2HB       PHE  36  20.510 -17.625 -12.761
  279   2HB   PHE  36          3HB       PHE  36  21.385 -16.438 -11.838
  280    HD1  PHE  36           HD1      PHE  36  20.076 -19.929 -11.683
  281    HD2  PHE  36           HD2      PHE  36  22.788 -17.048  -9.992
  282    HE1  PHE  36           HE1      PHE  36  21.275 -21.755 -10.510
  283    HE2  PHE  36           HE2      PHE  36  23.993 -18.873  -8.841
  284    HZ   PHE  36           HZ       PHE  36  23.270 -21.222  -9.117
  285    HA   PRO  37           HA       PRO  37  18.563 -12.690 -12.202
  286   1HB   PRO  37          2HB       PRO  37  20.472 -11.055 -11.211
  287   2HB   PRO  37          3HB       PRO  37  19.189 -11.740 -10.187
  288   1HG   PRO  37          2HG       PRO  37  22.011 -12.801 -10.501
  289   2HG   PRO  37          3HG       PRO  37  21.133 -12.434  -8.987
  290   1HD   PRO  37          2HD       PRO  37  21.211 -14.944 -10.048
  291   2HD   PRO  37          3HD       PRO  37  19.765 -14.330  -9.194
  292    H    ASP  38           H        ASP  38  18.979 -12.135 -14.225
  293    HA   ASP  38           HA       ASP  38  21.459 -12.973 -15.647
  294   1HB   ASP  38          2HB       ASP  38  19.409 -13.502 -16.771
  295   2HB   ASP  38          3HB       ASP  38  18.761 -11.890 -16.498
  296    H    GLY  39           H        GLY  39  19.747 -10.103 -14.538
  297   1HA   GLY  39          2HA       GLY  39  22.209  -8.457 -14.925
  298   2HA   GLY  39          3HA       GLY  39  20.627  -7.809 -15.379
  299    H    ILE  40           H        ILE  40  22.024  -6.425 -13.587
  300    HA   ILE  40           HA       ILE  40  20.350  -6.637 -11.145
  301    HB   ILE  40           HB       ILE  40  23.360  -6.181 -11.069
  302   1HG1  ILE  40          2HG1      ILE  40  21.670  -8.369  -9.754
  303   2HG1  ILE  40          3HG1      ILE  40  22.612  -8.594 -11.222
  304   1HG2  ILE  40          1HG2      ILE  40  23.018  -5.922  -8.602
  305   2HG2  ILE  40          2HG2      ILE  40  22.205  -4.658  -9.497
  306   3HG2  ILE  40          3HG2      ILE  40  21.265  -6.020  -8.855
  307   1HD1  ILE  40          1HD1      ILE  40  23.906  -9.482  -9.491
  308   2HD1  ILE  40          2HD1      ILE  40  24.692  -7.963  -9.954
  309   3HD1  ILE  40          3HD1      ILE  40  23.715  -8.052  -8.466
  310    H    TYR  41           H        TYR  41  19.345  -4.812 -10.832
  311    HA   TYR  41           HA       TYR  41  19.976  -2.352 -12.293
  312   1HB   TYR  41          2HB       TYR  41  17.640  -2.954 -11.857
  313   2HB   TYR  41          3HB       TYR  41  17.944  -2.985 -10.123
  314    HD1  TYR  41           HD1      TYR  41  17.845  -1.000  -8.839
  315    HD2  TYR  41           HD2      TYR  41  18.097  -0.759 -13.128
  316    HE1  TYR  41           HE1      TYR  41  17.723   1.473  -8.683
  317    HE2  TYR  41           HE2      TYR  41  17.996   1.747 -12.984
  318    HH   TYR  41           HH       TYR  41  18.375   3.516 -11.480
  319    H    TYR  42           H        TYR  42  21.872  -1.501 -11.679
  320    HA   TYR  42           HA       TYR  42  22.002  -0.125  -9.135
  321   1HB   TYR  42          2HB       TYR  42  23.008  -2.282  -8.451
  322   2HB   TYR  42          3HB       TYR  42  24.150  -2.192  -9.784
  323    HD1  TYR  42           HD1      TYR  42  23.050  -0.451  -6.654
  324    HD2  TYR  42           HD2      TYR  42  26.208  -0.979  -9.544
  325    HE1  TYR  42           HE1      TYR  42  24.584   0.931  -5.245
  326    HE2  TYR  42           HE2      TYR  42  27.738   0.363  -8.119
  327    HH   TYR  42           HH       TYR  42  27.916   1.706  -6.270
  328    H    GLU  43           H        GLU  43  23.099   1.742  -9.337
  329    HA   GLU  43           HA       GLU  43  24.630   2.323 -11.847
  330   1HB   GLU  43          2HB       GLU  43  22.368   3.981 -10.671
  331   2HB   GLU  43          3HB       GLU  43  23.453   4.492 -11.976
  332   1HG   GLU  43          2HG       GLU  43  22.696   2.539 -13.337
  333   2HG   GLU  43          3HG       GLU  43  21.571   2.103 -12.057
  334    H    GLY  44           H        GLY  44  26.413   1.996 -10.520
  335   1HA   GLY  44          2HA       GLY  44  27.078   3.659  -8.233
  336   2HA   GLY  44          3HA       GLY  44  28.187   2.614  -9.119
  337    H    CYS  45           H        CYS  45  27.905   3.835 -11.679
  338    HA   CYS  45           HA       CYS  45  29.979   5.678 -11.667
  339   1HB   CYS  45          2HB       CYS  45  27.809   5.286 -13.757
  340   2HB   CYS  45          3HB       CYS  45  29.375   6.039 -14.036
  341    H    SER  46           H        SER  46  30.043   7.594 -10.784
  342    HA   SER  46           HA       SER  46  27.823   9.585 -11.112
  343   1HB   SER  46          2HB       SER  46  29.485   9.098  -8.608
  344   2HB   SER  46          3HB       SER  46  28.264  10.360  -8.834
  345    HG   SER  46           HG       SER  46  27.866   7.535  -8.848
  346    H    GLU  47           H        GLU  47  31.271   9.337 -10.084
  347    HA   GLU  47           HA       GLU  47  32.069  11.488 -11.908
  348   1HB   GLU  47          2HB       GLU  47  33.134  12.805 -10.121
  349   2HB   GLU  47          3HB       GLU  47  31.382  12.766  -9.950
  350   1HG   GLU  47          2HG       GLU  47  31.564  11.072  -8.152
  351   2HG   GLU  47          3HG       GLU  47  33.316  11.023  -8.357
  352    H    ALA  48           H        ALA  48  34.408  11.715 -12.032
  353    HA   ALA  48           HA       ALA  48  35.717   9.367 -12.538
  354   1HB   ALA  48          1HB       ALA  48  36.283  11.553 -13.489
  355   2HB   ALA  48          2HB       ALA  48  36.933  12.086 -11.918
  356   3HB   ALA  48          3HB       ALA  48  37.722  10.769 -12.812
  357    H    ASN  49           H        ASN  49  35.635  10.913  -9.410
  358    HA   ASN  49           HA       ASN  49  37.893   9.596  -8.187
  359   1HB   ASN  49          2HB       ASN  49  35.364  10.834  -7.019
  360   2HB   ASN  49          3HB       ASN  49  36.685  10.192  -6.047
  361   1HD2  ASN  49          2HD2      ASN  49  35.527  13.086  -7.187
  362   2HD2  ASN  49          1HD2      ASN  49  37.079  13.926  -7.268
  363    H    VAL  50           H        VAL  50  34.625   8.457  -8.853
  364    HA   VAL  50           HA       VAL  50  34.701   6.113  -7.095
  365    HB   VAL  50           HB       VAL  50  33.005   6.657  -9.576
  366   1HG1  VAL  50          1HG1      VAL  50  32.672   4.603  -7.344
  367   2HG1  VAL  50          2HG1      VAL  50  31.495   4.937  -8.635
  368   3HG1  VAL  50          3HG1      VAL  50  33.067   4.254  -9.043
  369   1HG2  VAL  50          1HG2      VAL  50  32.362   7.055  -6.622
  370   2HG2  VAL  50          2HG2      VAL  50  32.552   8.339  -7.836
  371   3HG2  VAL  50          3HG2      VAL  50  31.206   7.203  -7.965
  372    H    THR  51           H        THR  51  36.076   4.426  -7.421
  373    HA   THR  51           HA       THR  51  37.208   3.901 -10.123
  374    HB   THR  51           HB       THR  51  38.851   2.548  -8.978
  375    HG1  THR  51           1HG      THR  51  38.759   2.521  -6.650
  376   1HG2  THR  51          1HG2      THR  51  38.513   5.105  -7.366
  377   2HG2  THR  51          2HG2      THR  51  40.003   4.182  -7.634
  378   3HG2  THR  51          3HG2      THR  51  39.229   5.019  -8.992
  379    H    LYS  52           H        LYS  52  37.700   1.458 -10.484
  380    HA   LYS  52           HA       LYS  52  35.260  -0.058 -10.619
  381   1HB   LYS  52          2HB       LYS  52  37.197  -0.321 -12.185
  382   2HB   LYS  52          3HB       LYS  52  38.135  -1.055 -10.876
  383   1HG   LYS  52          2HG       LYS  52  36.476  -2.905 -10.720
  384   2HG   LYS  52          3HG       LYS  52  35.473  -2.115 -11.941
  385   1HD   LYS  52          2HD       LYS  52  36.661  -3.899 -13.002
  386   2HD   LYS  52          3HD       LYS  52  37.336  -2.375 -13.599
  387   1HE   LYS  52          2HE       LYS  52  39.240  -2.602 -12.012
  388   2HE   LYS  52          3HE       LYS  52  38.535  -4.091 -11.369
  389   1HZ   LYS  52          1HZ       LYS  52  40.249  -4.562 -13.021
  390   2HZ   LYS  52          2HZ       LYS  52  38.811  -5.094 -13.575
  391   3HZ   LYS  52          3HZ       LYS  52  39.459  -3.715 -14.170
  392    H    GLU  53           H        GLU  53  38.088  -0.565  -8.484
  393    HA   GLU  53           HA       GLU  53  36.899  -2.651  -6.962
  394   1HB   GLU  53          2HB       GLU  53  38.538  -2.185  -5.226
  395   2HB   GLU  53          3HB       GLU  53  39.254  -2.255  -6.833
  396   1HG   GLU  53          2HG       GLU  53  39.362   0.223  -6.904
  397   2HG   GLU  53          3HG       GLU  53  38.648   0.302  -5.288
  398    H    MET  54           H        MET  54  36.562   0.875  -6.501
  399    HA   MET  54           HA       MET  54  34.856   0.761  -4.187
  400   1HB   MET  54          2HB       MET  54  35.097   2.779  -6.439
  401   2HB   MET  54          3HB       MET  54  33.971   2.962  -5.093
  402   1HG   MET  54          2HG       MET  54  35.779   2.970  -3.479
  403   2HG   MET  54          3HG       MET  54  36.960   2.588  -4.729
  404   1HE   MET  54          1HE       MET  54  34.612   5.321  -3.174
  405   2HE   MET  54          2HE       MET  54  34.840   6.701  -4.270
  406   3HE   MET  54          3HE       MET  54  33.945   5.273  -4.823
  407    H    LEU  55           H        LEU  55  33.955   0.973  -7.696
  408    HA   LEU  55           HA       LEU  55  31.172   0.903  -7.233
  409   1HB   LEU  55          2HB       LEU  55  32.298   1.719  -9.262
  410   2HB   LEU  55          3HB       LEU  55  32.680   0.070  -9.753
  411    HG   LEU  55           HG       LEU  55  29.802   0.838  -9.152
  412   1HD1  LEU  55          1HD1      LEU  55  29.469   1.560 -11.460
  413   2HD1  LEU  55          2HD1      LEU  55  30.647   2.602 -10.647
  414   3HD1  LEU  55          3HD1      LEU  55  31.199   1.356 -11.793
  415   1HD2  LEU  55          1HD2      LEU  55  29.294  -0.748 -10.986
  416   2HD2  LEU  55          2HD2      LEU  55  31.025  -1.062 -11.210
  417   3HD2  LEU  55          3HD2      LEU  55  30.202  -1.550  -9.717
  418    H    VAL  56           H        VAL  56  33.285  -1.835  -8.202
  419    HA   VAL  56           HA       VAL  56  31.191  -3.759  -8.388
  420    HB   VAL  56           HB       VAL  56  34.121  -4.309  -7.762
  421   1HG1  VAL  56          1HG1      VAL  56  32.005  -6.081  -9.099
  422   2HG1  VAL  56          2HG1      VAL  56  33.695  -6.498  -8.808
  423   3HG1  VAL  56          3HG1      VAL  56  32.602  -6.302  -7.434
  424   1HG2  VAL  56          1HG2      VAL  56  32.623  -4.082 -10.408
  425   2HG2  VAL  56          2HG2      VAL  56  33.903  -3.013  -9.867
  426   3HG2  VAL  56          3HG2      VAL  56  34.287  -4.691 -10.237
  427    H    THR  57           H        THR  57  33.340  -3.036  -5.623
  428    HA   THR  57           HA       THR  57  32.177  -4.846  -3.737
  429    HB   THR  57           HB       THR  57  33.464  -2.140  -3.171
  430    HG1  THR  57           1HG      THR  57  35.029  -3.172  -4.089
  431   1HG2  THR  57          1HG2      THR  57  32.358  -3.035  -1.171
  432   2HG2  THR  57          2HG2      THR  57  33.119  -4.625  -1.432
  433   3HG2  THR  57          3HG2      THR  57  34.109  -3.209  -1.018
  434    H    SER  58           H        SER  58  31.414  -1.383  -4.359
  435    HA   SER  58           HA       SER  58  29.306  -1.156  -2.448
  436   1HB   SER  58          2HB       SER  58  29.649   0.370  -5.044
  437   2HB   SER  58          3HB       SER  58  28.594   0.817  -3.689
  438    HG   SER  58           HG       SER  58  31.427   0.694  -3.762
  439    H    CYS  59           H        CYS  59  29.194  -2.109  -5.881
  440    HA   CYS  59           HA       CYS  59  26.388  -2.452  -6.150
  441   1HB   CYS  59          2HB       CYS  59  27.916  -2.340  -8.029
  442   2HB   CYS  59          3HB       CYS  59  28.790  -3.756  -7.493
  443    H    VAL  60           H        VAL  60  28.854  -4.920  -5.230
  444    HA   VAL  60           HA       VAL  60  27.036  -7.040  -4.625
  445    HB   VAL  60           HB       VAL  60  29.772  -6.333  -3.539
  446   1HG1  VAL  60          1HG1      VAL  60  29.911  -8.629  -2.627
  447   2HG1  VAL  60          2HG1      VAL  60  28.747  -7.634  -1.755
  448   3HG1  VAL  60          3HG1      VAL  60  28.174  -8.843  -2.925
  449   1HG2  VAL  60          1HG2      VAL  60  28.820  -8.603  -5.325
  450   2HG2  VAL  60          2HG2      VAL  60  29.537  -7.092  -5.938
  451   3HG2  VAL  60          3HG2      VAL  60  30.502  -8.181  -4.932
  452    H    ASN  61           H        ASN  61  28.259  -4.476  -2.452
  453    HA   ASN  61           HA       ASN  61  26.723  -5.179  -0.147
  454   1HB   ASN  61          2HB       ASN  61  28.072  -2.631  -1.094
  455   2HB   ASN  61          3HB       ASN  61  27.046  -2.621   0.335
  456   1HD2  ASN  61          2HD2      ASN  61  30.004  -4.100  -1.026
  457   2HD2  ASN  61          1HD2      ASN  61  30.637  -4.547   0.563
  458    H    ALA  62           H        ALA  62  25.820  -2.941  -2.835
  459    HA   ALA  62           HA       ALA  62  23.257  -2.216  -1.795
  460   1HB   ALA  62          1HB       ALA  62  24.443  -1.005  -3.590
  461   2HB   ALA  62          2HB       ALA  62  24.255  -2.399  -4.675
  462   3HB   ALA  62          3HB       ALA  62  22.828  -1.510  -4.110
  463    H    THR  63           H        THR  63  24.252  -4.792  -4.040
  464    HA   THR  63           HA       THR  63  21.767  -6.008  -4.537
  465    HB   THR  63           HB       THR  63  24.425  -7.472  -4.344
  466    HG1  THR  63           1HG      THR  63  24.625  -5.776  -5.757
  467   1HG2  THR  63          1HG2      THR  63  22.442  -8.956  -4.586
  468   2HG2  THR  63          2HG2      THR  63  21.927  -8.015  -6.004
  469   3HG2  THR  63          3HG2      THR  63  23.442  -8.934  -6.047
  470    H    GLN  64           H        GLN  64  24.093  -6.870  -1.917
  471    HA   GLN  64           HA       GLN  64  22.676  -8.822  -0.552
  472   1HB   GLN  64          2HB       GLN  64  24.449  -6.589   0.476
  473   2HB   GLN  64          3HB       GLN  64  23.733  -7.780   1.556
  474   1HG   GLN  64          2HG       GLN  64  24.885  -9.595   0.482
  475   2HG   GLN  64          3HG       GLN  64  25.468  -8.538  -0.808
  476   1HE2  GLN  64          2HE2      GLN  64  25.725  -9.149   2.749
  477   2HE2  GLN  64          1HE2      GLN  64  27.319  -8.410   2.868
  478    H    ALA  65           H        ALA  65  22.490  -5.319   0.218
  479    HA   ALA  65           HA       ALA  65  20.398  -5.418   2.055
  480   1HB   ALA  65          1HB       ALA  65  21.946  -3.531   1.771
  481   2HB   ALA  65          2HB       ALA  65  21.231  -3.160   0.186
  482   3HB   ALA  65          3HB       ALA  65  20.261  -2.985   1.664
  483    H    ALA  66           H        ALA  66  20.212  -4.938  -1.472
  484    HA   ALA  66           HA       ALA  66  17.438  -4.379  -1.622
  485   1HB   ALA  66          1HB       ALA  66  19.399  -5.446  -3.687
  486   2HB   ALA  66          2HB       ALA  66  17.784  -4.804  -4.059
  487   3HB   ALA  66          3HB       ALA  66  19.021  -3.748  -3.349
  488    H    ASN  67           H        ASN  67  19.118  -7.515  -1.793
  489    HA   ASN  67           HA       ASN  67  16.486  -8.892  -2.243
  490   1HB   ASN  67          2HB       ASN  67  19.172  -9.906  -3.214
  491   2HB   ASN  67          3HB       ASN  67  17.573 -10.444  -3.687
  492   1HD2  ASN  67          2HD2      ASN  67  20.023  -8.007  -4.089
  493   2HD2  ASN  67          1HD2      ASN  67  19.388  -7.311  -5.568
  494    H    GLN  68           H        GLN  68  17.314  -8.378   0.326
  495    HA   GLN  68           HA       GLN  68  18.760 -10.342   1.723
  496   1HB   GLN  68          2HB       GLN  68  16.370  -8.665   2.572
  497   2HB   GLN  68          3HB       GLN  68  17.257  -9.709   3.692
  498   1HG   GLN  68          2HG       GLN  68  19.330  -8.490   3.305
  499   2HG   GLN  68          3HG       GLN  68  18.566  -7.508   2.057
  500   1HE2  GLN  68          2HE2      GLN  68  17.658  -5.559   2.690
  501   2HE2  GLN  68          1HE2      GLN  68  17.328  -5.150   4.380
  502    H    ALA  69           H        ALA  69  15.286 -10.450   0.932
  503    HA   ALA  69           HA       ALA  69  14.588 -12.850   2.252
  504   1HB   ALA  69          1HB       ALA  69  13.469 -11.657  -0.324
  505   2HB   ALA  69          2HB       ALA  69  12.667 -12.864   0.705
  506   3HB   ALA  69          3HB       ALA  69  12.971 -11.234   1.333
  507    H    GLU  70           H        GLU  70  16.072 -12.418  -0.949
  508    HA   GLU  70           HA       GLU  70  15.950 -15.213  -1.768
  509   1HB   GLU  70          2HB       GLU  70  17.837 -13.028  -2.709
  510   2HB   GLU  70          3HB       GLU  70  17.566 -14.577  -3.487
  511   1HG   GLU  70          2HG       GLU  70  15.380 -12.469  -3.139
  512   2HG   GLU  70          3HG       GLU  70  16.443 -12.561  -4.526
  513    H    PHE  71           H        PHE  71  18.670 -13.196  -0.544
  514    HA   PHE  71           HA       PHE  71  20.466 -15.375  -0.268
  515   1HB   PHE  71          2HB       PHE  71  20.468 -12.729   1.223
  516   2HB   PHE  71          3HB       PHE  71  21.836 -13.834   1.090
  517    HD1  PHE  71           HD1      PHE  71  22.075 -14.641  -1.645
  518    HD2  PHE  71           HD2      PHE  71  20.857 -10.794  -0.083
  519    HE1  PHE  71           HE1      PHE  71  22.706 -13.570  -3.772
  520    HE2  PHE  71           HE2      PHE  71  21.432  -9.763  -2.244
  521    HZ   PHE  71           HZ       PHE  71  22.342 -11.133  -4.092
  522    H    SER  72           H        SER  72  18.058 -14.281   2.048
  523    HA   SER  72           HA       SER  72  18.991 -15.809   4.315
  524   1HB   SER  72          2HB       SER  72  16.153 -14.989   3.567
  525   2HB   SER  72          3HB       SER  72  16.666 -15.639   5.134
  526    HG   SER  72           HG       SER  72  17.502 -13.215   3.894
  527    H    ARG  73           H        ARG  73  16.486 -16.580   1.903
  528    HA   ARG  73           HA       ARG  73  16.019 -19.316   2.750
  529   1HB   ARG  73          2HB       ARG  73  15.281 -17.615   0.352
  530   2HB   ARG  73          3HB       ARG  73  14.899 -19.340   0.371
  531   1HG   ARG  73          2HG       ARG  73  13.407 -19.182   2.143
  532   2HG   ARG  73          3HG       ARG  73  14.106 -17.694   2.775
  533   1HD   ARG  73          2HD       ARG  73  11.823 -17.462   1.756
  534   2HD   ARG  73          3HD       ARG  73  13.038 -16.332   1.198
  535    HE   ARG  73           HE       ARG  73  11.912 -18.639  -0.351
  536   1HH1  ARG  73          1HH2      ARG  73  13.911 -15.747  -0.442
  537   2HH1  ARG  73          2HH2      ARG  73  13.776 -15.641  -2.197
  538   1HH2  ARG  73          1HH1      ARG  73  11.891 -18.440  -2.588
  539   2HH2  ARG  73          2HH1      ARG  73  12.739 -17.092  -3.314
  540    H    GLU  74           H        GLU  74  17.805 -18.006  -0.032
  541    HA   GLU  74           HA       GLU  74  18.639 -20.656  -0.932
  542   1HB   GLU  74          2HB       GLU  74  19.357 -17.877  -1.953
  543   2HB   GLU  74          3HB       GLU  74  19.761 -19.389  -2.750
  544   1HG   GLU  74          2HG       GLU  74  16.960 -18.297  -2.275
  545   2HG   GLU  74          3HG       GLU  74  17.818 -18.400  -3.809
  546    H    LYS  75           H        LYS  75  19.510 -20.441   1.489
  547    HA   LYS  75           HA       LYS  75  22.453 -20.695   1.446
  548   1HB   LYS  75          2HB       LYS  75  22.069 -18.296   1.862
  549   2HB   LYS  75          3HB       LYS  75  21.023 -18.661   3.228
  550   1HG   LYS  75          2HG       LYS  75  22.969 -19.766   4.380
  551   2HG   LYS  75          3HG       LYS  75  24.010 -19.269   3.043
  552   1HD   LYS  75          2HD       LYS  75  22.407 -17.389   4.842
  553   2HD   LYS  75          3HD       LYS  75  24.122 -17.775   5.043
  554   1HE   LYS  75          2HE       LYS  75  24.610 -16.834   2.801
  555   2HE   LYS  75          3HE       LYS  75  22.900 -16.429   2.594
  556   1HZ   LYS  75          1HZ       LYS  75  23.085 -14.944   4.515
  557   2HZ   LYS  75          2HZ       LYS  75  24.662 -15.328   4.719
  558   3HZ   LYS  75          3HZ       LYS  75  24.186 -14.524   3.383
  559    H    GLN  76           H        GLN  76  19.790 -20.336   3.784
  560    HA   GLN  76           HA       GLN  76  20.650 -22.236   5.701
  561   1HB   GLN  76          2HB       GLN  76  17.877 -21.194   4.990
  562   2HB   GLN  76          3HB       GLN  76  18.193 -22.228   6.381
  563   1HG   GLN  76          2HG       GLN  76  19.488 -19.498   5.934
  564   2HG   GLN  76          3HG       GLN  76  18.080 -19.802   6.945
  565   1HE2  GLN  76          2HE2      GLN  76  21.496 -19.571   7.018
  566   2HE2  GLN  76          1HE2      GLN  76  21.704 -20.372   8.572
  567    H    ASP  77           H        ASP  77  18.202 -22.702   3.119
  568    HA   ASP  77           HA       ASP  77  18.367 -25.650   3.380
  569   1HB   ASP  77          2HB       ASP  77  16.202 -24.490   2.962
  570   2HB   ASP  77          3HB       ASP  77  16.808 -23.945   1.399
  571    H    SER  78           H        SER  78  18.883 -23.284   0.733
  572    HA   SER  78           HA       SER  78  20.212 -25.196  -0.967
  573   1HB   SER  78          2HB       SER  78  20.018 -22.192  -1.300
  574   2HB   SER  78          3HB       SER  78  20.348 -23.387  -2.547
  575    HG   SER  78           HG       SER  78  18.164 -22.642  -2.497
  576    H    LYS  79           H        LYS  79  22.030 -25.841   0.263
  577    HA   LYS  79           HA       LYS  79  24.116 -24.293   1.294
  578   1HB   LYS  79          2HB       LYS  79  23.763 -26.700   1.691
  579   2HB   LYS  79          3HB       LYS  79  24.299 -27.071   0.050
  580   1HG   LYS  79          2HG       LYS  79  26.549 -26.145   0.577
  581   2HG   LYS  79          3HG       LYS  79  25.988 -25.729   2.210
  582   1HD   LYS  79          2HD       LYS  79  25.584 -28.140   2.683
  583   2HD   LYS  79          3HD       LYS  79  26.055 -28.544   1.028
  584   1HE   LYS  79          2HE       LYS  79  27.923 -29.040   2.421
  585   2HE   LYS  79          3HE       LYS  79  28.337 -27.619   1.460
  586   1HZ   LYS  79          1HZ       LYS  79  27.429 -27.559   4.295
  587   2HZ   LYS  79          2HZ       LYS  79  28.969 -27.363   3.800
  588   3HZ   LYS  79          3HZ       LYS  79  27.850 -26.242   3.419
  589    H    LEU  80           H        LEU  80  24.347 -25.897  -1.882
  590    HA   LEU  80           HA       LEU  80  26.800 -24.630  -2.604
  591   1HB   LEU  80          2HB       LEU  80  26.062 -26.809  -3.452
  592   2HB   LEU  80          3HB       LEU  80  24.731 -26.049  -4.323
  593    HG   LEU  80           HG       LEU  80  26.299 -24.921  -5.838
  594   1HD1  LEU  80          1HD1      LEU  80  28.719 -25.488  -5.817
  595   2HD1  LEU  80          2HD1      LEU  80  28.262 -24.572  -4.380
  596   3HD1  LEU  80          3HD1      LEU  80  28.507 -26.330  -4.264
  597   1HD2  LEU  80          1HD2      LEU  80  25.551 -27.240  -6.326
  598   2HD2  LEU  80          2HD2      LEU  80  27.155 -26.890  -6.996
  599   3HD2  LEU  80          3HD2      LEU  80  27.000 -27.869  -5.520
  600    H    HIS  81           H        HIS  81  23.485 -23.551  -3.134
  601    HA   HIS  81           HA       HIS  81  23.736 -22.064  -5.445
  602   1HB   HIS  81          2HB       HIS  81  21.679 -22.631  -4.079
  603   2HB   HIS  81          3HB       HIS  81  21.999 -21.203  -3.116
  604    HD1  HIS  81           HD1      HIS  81  19.299 -21.079  -4.495
  605    HD2  HIS  81           HD2      HIS  81  22.883 -20.166  -6.573
  606    HE1  HIS  81           HE1      HIS  81  18.633 -19.805  -6.616
  607    HE2  HIS  81           HE2      HIS  81  20.821 -19.247  -7.869
  608    H    GLN  82           H        GLN  82  24.465 -20.866  -2.165
  609    HA   GLN  82           HA       GLN  82  24.987 -18.170  -2.613
  610   1HB   GLN  82          2HB       GLN  82  26.441 -20.131  -0.801
  611   2HB   GLN  82          3HB       GLN  82  26.740 -18.391  -0.779
  612   1HG   GLN  82          2HG       GLN  82  24.010 -19.635  -0.264
  613   2HG   GLN  82          3HG       GLN  82  25.169 -19.185   0.983
  614   1HE2  GLN  82          2HE2      GLN  82  22.506 -18.011  -0.747
  615   2HE2  GLN  82          1HE2      GLN  82  22.801 -16.294  -0.426
  616    H    ARG  83           H        ARG  83  27.553 -20.676  -2.878
  617    HA   ARG  83           HA       ARG  83  29.696 -19.108  -3.807
  618   1HB   ARG  83          2HB       ARG  83  30.089 -21.366  -3.182
  619   2HB   ARG  83          3HB       ARG  83  28.863 -21.985  -4.276
  620   1HG   ARG  83          2HG       ARG  83  31.068 -22.574  -5.052
  621   2HG   ARG  83          3HG       ARG  83  30.252 -21.551  -6.225
  622   1HD   ARG  83          2HD       ARG  83  31.590 -19.601  -5.455
  623   2HD   ARG  83          3HD       ARG  83  32.373 -20.614  -4.245
  624    HE   ARG  83           HE       ARG  83  32.646 -20.865  -7.234
  625   1HH1  ARG  83          1HH2      ARG  83  34.040 -21.646  -4.110
  626   2HH1  ARG  83          2HH2      ARG  83  35.455 -22.352  -4.846
  627   1HH2  ARG  83          1HH1      ARG  83  34.398 -21.822  -8.080
  628   2HH2  ARG  83          2HH1      ARG  83  35.663 -22.419  -7.029
  629    H    VAL  84           H        VAL  84  27.368 -20.799  -5.826
  630    HA   VAL  84           HA       VAL  84  28.314 -19.848  -8.357
  631    HB   VAL  84           HB       VAL  84  25.475 -20.767  -7.778
  632   1HG1  VAL  84          1HG1      VAL  84  27.254 -21.153 -10.216
  633   2HG1  VAL  84          2HG1      VAL  84  25.554 -21.606 -10.052
  634   3HG1  VAL  84          3HG1      VAL  84  26.016 -19.888 -10.084
  635   1HG2  VAL  84          1HG2      VAL  84  26.361 -23.075  -8.356
  636   2HG2  VAL  84          2HG2      VAL  84  28.000 -22.423  -8.139
  637   3HG2  VAL  84          3HG2      VAL  84  26.860 -22.479  -6.778
  638    H    LEU  85           H        LEU  85  25.493 -18.814  -6.431
  639    HA   LEU  85           HA       LEU  85  24.598 -16.712  -8.066
  640   1HB   LEU  85          2HB       LEU  85  23.369 -17.866  -6.241
  641   2HB   LEU  85          3HB       LEU  85  24.373 -17.048  -5.048
  642    HG   LEU  85           HG       LEU  85  23.415 -14.874  -5.721
  643   1HD1  LEU  85          1HD1      LEU  85  21.705 -16.528  -7.641
  644   2HD1  LEU  85          2HD1      LEU  85  21.419 -14.826  -7.216
  645   3HD1  LEU  85          3HD1      LEU  85  22.887 -15.267  -8.090
  646   1HD2  LEU  85          1HD2      LEU  85  21.127 -15.299  -4.874
  647   2HD2  LEU  85          2HD2      LEU  85  21.312 -17.034  -5.206
  648   3HD2  LEU  85          3HD2      LEU  85  22.317 -16.250  -3.969
  649    H    TRP  86           H        TRP  86  26.803 -16.442  -5.219
  650    HA   TRP  86           HA       TRP  86  27.244 -13.635  -5.492
  651   1HB   TRP  86          2HB       TRP  86  28.854 -15.826  -4.162
  652   2HB   TRP  86          3HB       TRP  86  29.384 -14.143  -4.180
  653    HD1  TRP  86           HD1      TRP  86  27.523 -16.335  -2.008
  654    HE1  TRP  86           HE1      TRP  86  25.807 -15.148  -0.540
  655    HE3  TRP  86           HE3      TRP  86  27.714 -11.719  -4.208
  656    HZ2  TRP  86           HZ2      TRP  86  24.476 -12.539  -0.510
  657    HZ3  TRP  86           HZ3      TRP  86  26.196  -9.904  -3.475
  658    HH2  TRP  86           HH2      TRP  86  24.487 -10.355  -1.712
  659    H    ARG  87           H        ARG  87  29.064 -16.351  -6.943
  660    HA   ARG  87           HA       ARG  87  31.037 -14.691  -8.238
  661   1HB   ARG  87          2HB       ARG  87  31.370 -17.078  -8.083
  662   2HB   ARG  87          3HB       ARG  87  29.870 -17.396  -8.943
  663   1HG   ARG  87          2HG       ARG  87  31.772 -17.775 -10.404
  664   2HG   ARG  87          3HG       ARG  87  30.812 -16.437 -11.018
  665   1HD   ARG  87          2HD       ARG  87  32.450 -14.829  -9.983
  666   2HD   ARG  87          3HD       ARG  87  33.431 -16.199  -9.455
  667    HE   ARG  87           HE       ARG  87  33.260 -15.052 -12.147
  668   1HH1  ARG  87          1HH2      ARG  87  34.109 -18.058 -10.543
  669   2HH1  ARG  87          2HH2      ARG  87  34.671 -18.736 -12.060
  670   1HH2  ARG  87          1HH1      ARG  87  34.185 -15.802 -13.798
  671   2HH2  ARG  87          2HH1      ARG  87  34.939 -17.407 -13.835
  672    H    LEU  88           H        LEU  88  27.864 -15.834  -9.407
  673    HA   LEU  88           HA       LEU  88  27.849 -14.493 -11.901
  674   1HB   LEU  88          2HB       LEU  88  26.204 -16.232 -10.769
  675   2HB   LEU  88          3HB       LEU  88  25.322 -14.800 -10.268
  676    HG   LEU  88           HG       LEU  88  26.019 -15.623 -13.128
  677   1HD1  LEU  88          1HD1      LEU  88  23.385 -15.487 -11.641
  678   2HD1  LEU  88          2HD1      LEU  88  23.604 -15.997 -13.327
  679   3HD1  LEU  88          3HD1      LEU  88  24.286 -16.983 -12.021
  680   1HD2  LEU  88          1HD2      LEU  88  24.328 -13.800 -13.721
  681   2HD2  LEU  88          2HD2      LEU  88  24.511 -13.205 -12.067
  682   3HD2  LEU  88          3HD2      LEU  88  25.903 -13.233 -13.187
  683    H    ILE  89           H        ILE  89  26.510 -13.305  -8.789
  684    HA   ILE  89           HA       ILE  89  25.818 -10.676  -9.545
  685    HB   ILE  89           HB       ILE  89  26.819 -11.780  -6.905
  686   1HG1  ILE  89          2HG1      ILE  89  24.020 -10.845  -7.677
  687   2HG1  ILE  89          3HG1      ILE  89  24.549 -12.496  -7.938
  688   1HG2  ILE  89          1HG2      ILE  89  25.702  -8.990  -7.449
  689   2HG2  ILE  89          2HG2      ILE  89  25.968  -9.684  -5.842
  690   3HG2  ILE  89          3HG2      ILE  89  27.337  -9.376  -6.892
  691   1HD1  ILE  89          1HD1      ILE  89  23.328 -12.396  -5.878
  692   2HD1  ILE  89          2HD1      ILE  89  25.025 -12.723  -5.494
  693   3HD1  ILE  89          3HD1      ILE  89  24.349 -11.094  -5.248
  694    H    LYS  90           H        LYS  90  29.009 -11.763  -8.299
  695    HA   LYS  90           HA       LYS  90  30.322  -9.242  -8.624
  696   1HB   LYS  90          2HB       LYS  90  31.371 -12.096  -8.497
  697   2HB   LYS  90          3HB       LYS  90  32.440 -10.692  -8.631
  698   1HG   LYS  90          2HG       LYS  90  31.598  -9.742  -6.563
  699   2HG   LYS  90          3HG       LYS  90  30.379 -11.016  -6.403
  700   1HD   LYS  90          2HD       LYS  90  32.172 -12.720  -6.208
  701   2HD   LYS  90          3HD       LYS  90  33.399 -11.441  -6.363
  702   1HE   LYS  90          2HE       LYS  90  32.473 -10.332  -4.329
  703   2HE   LYS  90          3HE       LYS  90  31.282 -11.630  -4.169
  704   1HZ   LYS  90          1HZ       LYS  90  33.136 -13.196  -3.879
  705   2HZ   LYS  90          2HZ       LYS  90  34.231 -11.991  -4.024
  706   3HZ   LYS  90          3HZ       LYS  90  33.215 -12.021  -2.749
  707    H    GLU  91           H        GLU  91  30.135 -11.946 -10.993
  708    HA   GLU  91           HA       GLU  91  31.613 -10.672 -13.074
  709   1HB   GLU  91          2HB       GLU  91  29.223 -12.541 -13.231
  710   2HB   GLU  91          3HB       GLU  91  30.124 -12.013 -14.634
  711   1HG   GLU  91          2HG       GLU  91  31.360 -13.522 -12.291
  712   2HG   GLU  91          3HG       GLU  91  30.716 -14.288 -13.732
  713    H    ILE  92           H        ILE  92  28.077 -10.414 -12.419
  714    HA   ILE  92           HA       ILE  92  27.521  -8.445 -14.423
  715    HB   ILE  92           HB       ILE  92  26.095  -9.027 -11.801
  716   1HG1  ILE  92          2HG1      ILE  92  25.375  -9.703 -14.687
  717   2HG1  ILE  92          3HG1      ILE  92  26.162 -10.829 -13.590
  718   1HG2  ILE  92          1HG2      ILE  92  24.191  -7.720 -12.809
  719   2HG2  ILE  92          2HG2      ILE  92  25.569  -6.711 -12.448
  720   3HG2  ILE  92          3HG2      ILE  92  25.263  -7.219 -14.127
  721   1HD1  ILE  92          1HD1      ILE  92  23.368  -9.684 -13.228
  722   2HD1  ILE  92          2HD1      ILE  92  23.799 -11.329 -13.666
  723   3HD1  ILE  92          3HD1      ILE  92  24.209 -10.713 -12.048
  724    H    CYS  93           H        CYS  93  28.252  -7.934 -10.943
  725    HA   CYS  93           HA       CYS  93  28.202  -5.103 -10.978
  726   1HB   CYS  93          2HB       CYS  93  29.628  -7.114  -9.223
  727   2HB   CYS  93          3HB       CYS  93  29.722  -5.387  -8.926
  728    H    SER  94           H        SER  94  30.933  -7.283 -11.702
  729    HA   SER  94           HA       SER  94  32.923  -5.257 -12.224
  730   1HB   SER  94          2HB       SER  94  32.681  -8.052 -13.394
  731   2HB   SER  94          3HB       SER  94  34.109  -7.006 -13.443
  732    HG   SER  94           HG       SER  94  32.846  -8.161 -11.177
  733    H    ALA  95           H        ALA  95  30.609  -6.908 -14.341
  734    HA   ALA  95           HA       ALA  95  31.523  -5.922 -16.819
  735   1HB   ALA  95          1HB       ALA  95  29.370  -6.675 -17.709
  736   2HB   ALA  95          2HB       ALA  95  30.031  -7.857 -16.567
  737   3HB   ALA  95          3HB       ALA  95  28.700  -6.785 -16.072
  738    H    LYS  96           H        LYS  96  29.118  -4.426 -14.668
  739    HA   LYS  96           HA       LYS  96  28.428  -2.250 -16.494
  740   1HB   LYS  96          2HB       LYS  96  27.146  -1.347 -14.599
  741   2HB   LYS  96          3HB       LYS  96  26.788  -3.038 -14.944
  742   1HG   LYS  96          2HG       LYS  96  28.071  -3.788 -13.030
  743   2HG   LYS  96          3HG       LYS  96  28.704  -2.178 -12.746
  744   1HD   LYS  96          2HD       LYS  96  27.063  -2.652 -11.113
  745   2HD   LYS  96          3HD       LYS  96  26.424  -1.382 -12.146
  746   1HE   LYS  96          2HE       LYS  96  25.720  -4.263 -12.787
  747   2HE   LYS  96          3HE       LYS  96  25.017  -3.550 -11.338
  748   1HZ   LYS  96          1HZ       LYS  96  24.670  -2.513 -14.093
  749   2HZ   LYS  96          2HZ       LYS  96  23.521  -3.161 -13.118
  750   3HZ   LYS  96          3HZ       LYS  96  24.188  -1.702 -12.752
  751    H    HIS  97           H        HIS  97  31.014  -2.165 -16.582
  752    HA   HIS  97           HA       HIS  97  32.419  -0.379 -14.832
  753   1HB   HIS  97          2HB       HIS  97  34.082  -0.317 -16.742
  754   2HB   HIS  97          3HB       HIS  97  33.655  -1.913 -16.143
  755    HD1  HIS  97           HD1      HIS  97  31.482  -0.095 -18.774
  756    HD2  HIS  97           HD2      HIS  97  34.277  -3.229 -18.312
  757    HE1  HIS  97           HE1      HIS  97  31.492  -1.408 -21.010
  758    HE2  HIS  97           HE2      HIS  97  33.196  -3.319 -20.715
  759    H    CYS  98           H        CYS  98  32.925   1.790 -14.916
  760    HA   CYS  98           HA       CYS  98  31.041   3.524 -16.336
  761   1HB   CYS  98          2HB       CYS  98  33.439   4.340 -14.675
  762   2HB   CYS  98          3HB       CYS  98  32.060   5.330 -15.125
  763    H    ASP  99           H        ASP  99  31.382   4.779 -18.073
  764    HA   ASP  99           HA       ASP  99  33.491   4.325 -19.930
  765   1HB   ASP  99          2HB       ASP  99  31.218   5.121 -20.494
  766   2HB   ASP  99          3HB       ASP  99  31.551   6.659 -19.696
  767    H    PHE 100           H        PHE 100  33.083   6.869 -17.487
  768    HA   PHE 100           HA       PHE 100  35.191   8.566 -18.397
  769   1HB   PHE 100          2HB       PHE 100  34.860   9.751 -16.261
  770   2HB   PHE 100          3HB       PHE 100  33.399   9.487 -17.180
  771    HD1  PHE 100           HD1      PHE 100  31.485   8.888 -15.991
  772    HD2  PHE 100           HD2      PHE 100  35.342   7.838 -14.364
  773    HE1  PHE 100           HE1      PHE 100  30.397   8.054 -13.936
  774    HE2  PHE 100           HE2      PHE 100  34.239   6.956 -12.332
  775    HZ   PHE 100           HZ       PHE 100  31.780   7.038 -12.108
  776    H    TRP 101           H        TRP 101  35.582   5.602 -16.711
  777    HA   TRP 101           HA       TRP 101  37.719   6.203 -14.944
  778   1HB   TRP 101          2HB       TRP 101  37.023   3.657 -16.436
  779   2HB   TRP 101          3HB       TRP 101  38.326   3.764 -15.263
  780    HD1  TRP 101           HD1      TRP 101  36.365   5.746 -13.316
  781    HE1  TRP 101           HE1      TRP 101  34.848   4.531 -11.710
  782    HE3  TRP 101           HE3      TRP 101  36.368   1.119 -15.541
  783    HZ2  TRP 101           HZ2      TRP 101  33.606   1.938 -11.477
  784    HZ3  TRP 101           HZ3      TRP 101  35.072  -0.743 -14.512
  785    HH2  TRP 101           HH2      TRP 101  33.638  -0.332 -12.524
  786    H    LEU 102           H        LEU 102  39.597   7.014 -15.244
  787    HA   LEU 102           HA       LEU 102  40.818   7.346 -17.848
  788   1HB   LEU 102          2HB       LEU 102  41.856   8.034 -15.051
  789   2HB   LEU 102          3HB       LEU 102  42.587   8.503 -16.573
  790    HG   LEU 102           HG       LEU 102  40.219   9.620 -17.060
  791   1HD1  LEU 102          1HD1      LEU 102  39.289  10.654 -15.004
  792   2HD1  LEU 102          2HD1      LEU 102  39.095   8.907 -14.956
  793   3HD1  LEU 102          3HD1      LEU 102  40.382   9.675 -14.003
  794   1HD2  LEU 102          1HD2      LEU 102  42.308  10.792 -15.175
  795   2HD2  LEU 102          2HD2      LEU 102  42.369  10.803 -16.951
  796   3HD2  LEU 102          3HD2      LEU 102  41.113  11.721 -16.112
  797    H    GLU 103           H        GLU 103  42.867   6.689 -18.516
  798    HA   GLU 103           HA       GLU 103  43.870   4.073 -17.806
  799   1HB   GLU 103          2HB       GLU 103  44.145   5.176 -20.020
  800   2HB   GLU 103          3HB       GLU 103  45.233   6.364 -19.289
  801   1HG   GLU 103          2HG       GLU 103  46.823   4.561 -18.700
  802   2HG   GLU 103          3HG       GLU 103  45.704   3.348 -19.329
  803    H    ARG 104           H        ARG 104  44.776   7.353 -16.908
  804    HA   ARG 104           HA       ARG 104  46.363   6.418 -14.555
  805   1HB   ARG 104          2HB       ARG 104  47.957   6.892 -16.298
  806   2HB   ARG 104          3HB       ARG 104  47.229   8.442 -16.668
  807   1HG   ARG 104          2HG       ARG 104  48.339   7.888 -13.894
  808   2HG   ARG 104          3HG       ARG 104  49.432   8.249 -15.221
  809   1HD   ARG 104          2HD       ARG 104  47.217  10.127 -14.285
  810   2HD   ARG 104          3HD       ARG 104  48.902  10.220 -13.834
  811    HE   ARG 104           HE       ARG 104  49.523  10.852 -16.036
  812   1HH1  ARG 104          1HH2      ARG 104  45.998  10.624 -15.893
  813   2HH1  ARG 104          2HH2      ARG 104  45.833  11.734 -17.227
  814   1HH2  ARG 104          1HH1      ARG 104  49.191  12.169 -17.743
  815   2HH2  ARG 104          2HH1      ARG 104  47.569  12.539 -18.259
  816    H    GLY 105           H        GLY 105  45.507   7.228 -12.789
  817   1HA   GLY 105          2HA       GLY 105  43.815   9.674 -12.787
  818   2HA   GLY 105          3HA       GLY 105  44.024   8.527 -11.463
  819    H    ALA 106           H        ALA 106  44.113  11.219 -10.977
  820    HA   ALA 106           HA       ALA 106  46.872  11.629  -9.985
  821   1HB   ALA 106          1HB       ALA 106  46.901  13.951 -10.836
  822   2HB   ALA 106          2HB       ALA 106  46.799  12.784 -12.168
  823   3HB   ALA 106          3HB       ALA 106  45.349  13.679 -11.657
  824    H    ALA 107           H        ALA 107  47.019  12.872  -8.159
  825    HA   ALA 107           HA       ALA 107  44.756  13.012  -6.367
  826   1HB   ALA 107          1HB       ALA 107  47.581  14.141  -6.124
  827   2HB   ALA 107          2HB       ALA 107  46.409  13.967  -4.803
  828   3HB   ALA 107          3HB       ALA 107  47.052  12.522  -5.605
  Start of MODEL    4
    1   1H    ARG   1          H1        ARG   1  10.229  -7.938  -7.742
    2   2H    ARG   1          H2        ARG   1  10.253  -8.485  -6.199
    3   3H    ARG   1          H3        ARG   1  10.025  -9.533  -7.434
    4    HA   ARG   1           HA       ARG   1   7.942  -9.138  -6.327
    5   1HB   ARG   1          2HB       ARG   1   8.499  -6.916  -5.433
    6   2HB   ARG   1          3HB       ARG   1   8.490  -6.224  -7.049
    7   1HG   ARG   1          2HG       ARG   1   6.481  -5.663  -5.773
    8   2HG   ARG   1          3HG       ARG   1   6.071  -6.548  -7.239
    9   1HD   ARG   1          2HD       ARG   1   5.570  -8.557  -5.993
   10   2HD   ARG   1          3HD       ARG   1   6.375  -7.934  -4.550
   11    HE   ARG   1           HE       ARG   1   4.479  -6.811  -3.941
   12   1HH1  ARG   1          1HH2      ARG   1   3.876  -7.572  -7.401
   13   2HH1  ARG   1          2HH2      ARG   1   2.173  -7.225  -7.090
   14   1HH2  ARG   1          1HH1      ARG   1   2.305  -6.366  -3.902
   15   2HH2  ARG   1          2HH1      ARG   1   1.406  -6.595  -5.406
   16    H    VAL   2           H        VAL   2   6.471 -10.020  -7.625
   17    HA   VAL   2           HA       VAL   2   6.577 -10.001 -10.472
   18    HB   VAL   2           HB       VAL   2   5.543 -11.780  -9.163
   19   1HG1  VAL   2          1HG1      VAL   2   3.165  -9.932  -8.686
   20   2HG1  VAL   2          2HG1      VAL   2   3.306 -11.640  -8.242
   21   3HG1  VAL   2          3HG1      VAL   2   4.326 -10.442  -7.439
   22   1HG2  VAL   2          1HG2      VAL   2   3.533 -10.534 -11.081
   23   2HG2  VAL   2          2HG2      VAL   2   4.970 -11.476 -11.560
   24   3HG2  VAL   2          3HG2      VAL   2   3.675 -12.242 -10.626
   25    H    ALA   3           H        ALA   3   5.678  -8.780 -12.023
   26    HA   ALA   3           HA       ALA   3   4.392  -6.223 -11.365
   27   1HB   ALA   3          1HB       ALA   3   4.520  -5.871 -13.806
   28   2HB   ALA   3          2HB       ALA   3   6.091  -6.343 -13.129
   29   3HB   ALA   3          3HB       ALA   3   5.116  -7.530 -14.025
   30    H    GLU   4           H        GLU   4   2.411  -6.753 -10.463
   31    HA   GLU   4           HA       GLU   4   0.413  -8.348 -11.896
   32   1HB   GLU   4          2HB       GLU   4  -1.109  -7.761 -10.135
   33   2HB   GLU   4          3HB       GLU   4   0.434  -8.265  -9.453
   34   1HG   GLU   4          2HG       GLU   4   1.021  -5.801  -9.179
   35   2HG   GLU   4          3HG       GLU   4  -0.632  -5.417  -9.668
   36    H    ASN   5           H        ASN   5   1.151  -5.014 -11.512
   37    HA   ASN   5           HA       ASN   5  -1.009  -4.022 -13.280
   38   1HB   ASN   5          2HB       ASN   5  -0.295  -2.727 -11.283
   39   2HB   ASN   5          3HB       ASN   5   1.327  -2.570 -11.959
   40   1HD2  ASN   5          1HD2      ASN   5  -2.100  -2.012 -13.112
   41   2HD2  ASN   5          2HD2      ASN   5  -1.676  -0.459 -13.821
   42    H    ARG   6           H        ARG   6  -0.056  -5.728 -14.752
   43    HA   ARG   6           HA       ARG   6   1.986  -4.661 -16.645
   44   1HB   ARG   6          2HB       ARG   6   1.996  -6.841 -17.670
   45   2HB   ARG   6          3HB       ARG   6   2.181  -6.994 -15.927
   46   1HG   ARG   6          2HG       ARG   6  -0.309  -7.529 -15.793
   47   2HG   ARG   6          3HG       ARG   6  -0.349  -7.488 -17.560
   48   1HD   ARG   6          2HD       ARG   6  -0.172  -9.780 -16.862
   49   2HD   ARG   6          3HD       ARG   6   1.362  -9.314 -17.614
   50    HE   ARG   6           HE       ARG   6   1.721  -8.835 -14.874
   51   1HH1  ARG   6          1HH2      ARG   6   0.978 -11.738 -16.699
   52   2HH1  ARG   6          2HH2      ARG   6   1.733 -12.756 -15.499
   53   1HH2  ARG   6          1HH1      ARG   6   2.623 -10.106 -13.480
   54   2HH2  ARG   6          2HH1      ARG   6   2.659 -11.853 -13.685
   55    HA   PRO   7           HA       PRO   7  -0.810  -3.043 -19.680
   56   1HB   PRO   7          2HB       PRO   7   0.545  -4.895 -21.655
   57   2HB   PRO   7          3HB       PRO   7   0.105  -3.167 -21.844
   58   1HG   PRO   7          2HG       PRO   7   2.648  -3.841 -21.244
   59   2HG   PRO   7          3HG       PRO   7   1.863  -2.483 -20.373
   60   1HD   PRO   7          2HD       PRO   7   2.261  -5.334 -19.444
   61   2HD   PRO   7          3HD       PRO   7   2.504  -3.803 -18.547
   62    H    GLY   8           H        GLY   8  -2.862  -3.538 -19.694
   63   1HA   GLY   8          2HA       GLY   8  -4.727  -4.902 -20.640
   64   2HA   GLY   8          3HA       GLY   8  -3.871  -6.323 -20.050
   65    H    ALA   9           H        ALA   9  -3.133  -4.590 -17.498
   66    HA   ALA   9           HA       ALA   9  -4.979  -5.932 -15.871
   67   1HB   ALA   9          1HB       ALA   9  -2.764  -5.236 -15.128
   68   2HB   ALA   9          2HB       ALA   9  -3.233  -3.523 -15.229
   69   3HB   ALA   9          3HB       ALA   9  -4.002  -4.591 -14.035
   70    H    PHE  10           H        PHE  10  -6.947  -5.525 -14.995
   71    HA   PHE  10           HA       PHE  10  -8.645  -3.396 -15.864
   72   1HB   PHE  10          2HB       PHE  10  -8.764  -5.140 -13.372
   73   2HB   PHE  10          3HB       PHE  10 -10.043  -4.079 -13.885
   74    HD1  PHE  10           HD1      PHE  10 -10.304  -6.989 -13.256
   75    HD2  PHE  10           HD2      PHE  10  -9.701  -4.927 -17.008
   76    HE1  PHE  10           HE1      PHE  10 -11.563  -8.760 -14.443
   77    HE2  PHE  10           HE2      PHE  10 -10.959  -6.696 -18.170
   78    HZ   PHE  10           HZ       PHE  10 -11.910  -8.611 -16.892
   79    H    ILE  11           H        ILE  11  -9.384  -1.546 -14.939
   80    HA   ILE  11           HA       ILE  11  -8.145  -0.548 -12.402
   81    HB   ILE  11           HB       ILE  11  -9.134   1.137 -14.726
   82   1HG1  ILE  11          2HG1      ILE  11  -6.266   0.747 -13.750
   83   2HG1  ILE  11          3HG1      ILE  11  -6.939  -0.063 -15.160
   84   1HG2  ILE  11          1HG2      ILE  11  -7.767   1.900 -12.101
   85   2HG2  ILE  11          2HG2      ILE  11  -8.269   3.026 -13.382
   86   3HG2  ILE  11          3HG2      ILE  11  -9.485   2.146 -12.471
   87   1HD1  ILE  11          1HD1      ILE  11  -6.577   2.940 -14.867
   88   2HD1  ILE  11          2HD1      ILE  11  -5.664   1.842 -15.905
   89   3HD1  ILE  11          3HD1      ILE  11  -7.382   2.134 -16.237
   90    H    LYS  12           H        LYS  12  -9.586  -1.300 -11.052
   91    HA   LYS  12           HA       LYS  12 -12.523  -1.193 -11.587
   92   1HB   LYS  12          2HB       LYS  12 -10.911  -2.663  -9.469
   93   2HB   LYS  12          3HB       LYS  12 -12.678  -2.675  -9.587
   94   1HG   LYS  12          2HG       LYS  12 -12.516  -3.591 -11.892
   95   2HG   LYS  12          3HG       LYS  12 -10.759  -3.685 -11.731
   96   1HD   LYS  12          2HD       LYS  12 -12.752  -5.139  -9.936
   97   2HD   LYS  12          3HD       LYS  12 -11.998  -5.843 -11.372
   98   1HE   LYS  12          2HE       LYS  12  -9.748  -5.495 -10.382
   99   2HE   LYS  12          3HE       LYS  12 -10.493  -4.815  -8.928
  100   1HZ   LYS  12          1HZ       LYS  12  -9.983  -7.163  -8.627
  101   2HZ   LYS  12          2HZ       LYS  12 -11.603  -6.971  -8.588
  102   3HZ   LYS  12          3HZ       LYS  12 -10.882  -7.606  -9.914
  103    H    GLN  13           H        GLN  13 -12.623   1.073 -11.425
  104    HA   GLN  13           HA       GLN  13 -12.471   2.395  -8.801
  105   1HB   GLN  13          2HB       GLN  13 -13.870   3.291 -11.363
  106   2HB   GLN  13          3HB       GLN  13 -13.664   4.246  -9.903
  107   1HG   GLN  13          2HG       GLN  13 -11.088   3.731 -10.240
  108   2HG   GLN  13          3HG       GLN  13 -11.563   3.400 -11.907
  109   1HE2  GLN  13          2HE2      GLN  13 -12.497   5.268 -13.193
  110   2HE2  GLN  13          1HE2      GLN  13 -12.161   6.898 -12.602
  111    H    GLY  14           H        GLY  14 -14.832   0.550 -10.615
  112   1HA   GLY  14          2HA       GLY  14 -16.821  -0.431  -9.954
  113   2HA   GLY  14          3HA       GLY  14 -16.566   0.222  -8.336
  114    H    ARG  15           H        ARG  15 -16.538   2.393 -11.010
  115    HA   ARG  15           HA       ARG  15 -18.846   3.959 -10.164
  116   1HB   ARG  15          2HB       ARG  15 -16.769   4.913 -11.172
  117   2HB   ARG  15          3HB       ARG  15 -17.121   4.065 -12.679
  118   1HG   ARG  15          2HG       ARG  15 -19.114   5.397 -13.065
  119   2HG   ARG  15          3HG       ARG  15 -19.026   6.095 -11.441
  120   1HD   ARG  15          2HD       ARG  15 -18.276   7.683 -13.136
  121   2HD   ARG  15          3HD       ARG  15 -16.974   7.288 -12.004
  122    HE   ARG  15           HE       ARG  15 -16.365   5.536 -13.953
  123   1HH1  ARG  15          1HH2      ARG  15 -17.176   8.926 -14.431
  124   2HH1  ARG  15          2HH2      ARG  15 -16.212   8.988 -15.886
  125   1HH2  ARG  15          1HH1      ARG  15 -15.250   5.683 -15.621
  126   2HH2  ARG  15          2HH1      ARG  15 -15.102   7.159 -16.588
  127    H    LYS  16           H        LYS  16 -20.871   3.942 -10.948
  128    HA   LYS  16           HA       LYS  16 -21.809   1.792 -12.712
  129   1HB   LYS  16          2HB       LYS  16 -22.983   2.705 -10.634
  130   2HB   LYS  16          3HB       LYS  16 -23.423   4.120 -11.588
  131   1HG   LYS  16          2HG       LYS  16 -24.607   2.615 -13.207
  132   2HG   LYS  16          3HG       LYS  16 -24.118   1.216 -12.243
  133   1HD   LYS  16          2HD       LYS  16 -25.336   2.252 -10.268
  134   2HD   LYS  16          3HD       LYS  16 -25.938   3.505 -11.371
  135   1HE   LYS  16          2HE       LYS  16 -26.986   1.734 -12.780
  136   2HE   LYS  16          3HE       LYS  16 -26.372   0.499 -11.666
  137   1HZ   LYS  16          1HZ       LYS  16 -27.729   1.501  -9.909
  138   2HZ   LYS  16          2HZ       LYS  16 -28.305   2.636 -10.936
  139   3HZ   LYS  16          3HZ       LYS  16 -28.677   1.062 -11.159
  140    H    LEU  17           H        LEU  17 -21.111   2.038 -14.737
  141    HA   LEU  17           HA       LEU  17 -21.071   4.532 -16.242
  142   1HB   LEU  17          2HB       LEU  17 -20.790   1.631 -17.135
  143   2HB   LEU  17          3HB       LEU  17 -20.403   3.028 -18.124
  144    HG   LEU  17           HG       LEU  17 -18.949   2.305 -15.541
  145   1HD1  LEU  17          1HD1      LEU  17 -17.121   1.640 -17.017
  146   2HD1  LEU  17          2HD1      LEU  17 -18.576   0.691 -17.364
  147   3HD1  LEU  17          3HD1      LEU  17 -18.105   2.016 -18.451
  148   1HD2  LEU  17          1HD2      LEU  17 -18.385   4.428 -17.659
  149   2HD2  LEU  17          2HD2      LEU  17 -18.818   4.713 -15.953
  150   3HD2  LEU  17          3HD2      LEU  17 -17.277   3.954 -16.356
  151    H    ASP  18           H        ASP  18 -22.019   4.408 -18.555
  152    HA   ASP  18           HA       ASP  18 -24.857   3.467 -18.582
  153   1HB   ASP  18          2HB       ASP  18 -24.865   5.849 -18.107
  154   2HB   ASP  18          3HB       ASP  18 -23.796   6.167 -19.475
  155    H    ILE  19           H        ILE  19 -24.495   1.717 -19.786
  156    HA   ILE  19           HA       ILE  19 -23.608   1.972 -22.623
  157    HB   ILE  19           HB       ILE  19 -22.751  -0.125 -20.592
  158   1HG1  ILE  19          2HG1      ILE  19 -20.949   1.572 -22.365
  159   2HG1  ILE  19          3HG1      ILE  19 -21.432   2.086 -20.753
  160   1HG2  ILE  19          1HG2      ILE  19 -23.308  -1.288 -22.690
  161   2HG2  ILE  19          2HG2      ILE  19 -22.327  -0.130 -23.621
  162   3HG2  ILE  19          3HG2      ILE  19 -21.572  -1.264 -22.486
  163   1HD1  ILE  19          1HD1      ILE  19 -19.252   1.067 -20.634
  164   2HD1  ILE  19          2HD1      ILE  19 -20.432   0.090 -19.741
  165   3HD1  ILE  19          3HD1      ILE  19 -19.854  -0.440 -21.338
  166    H    ASP  20           H        ASP  20 -25.089   1.087 -23.972
  167    HA   ASP  20           HA       ASP  20 -27.323  -0.545 -22.878
  168   1HB   ASP  20          2HB       ASP  20 -27.880   1.299 -24.384
  169   2HB   ASP  20          3HB       ASP  20 -26.875   0.595 -25.655
  170    H    PHE  21           H        PHE  21 -26.160  -2.322 -22.302
  171    HA   PHE  21           HA       PHE  21 -24.641  -4.089 -24.014
  172   1HB   PHE  21          2HB       PHE  21 -26.265  -4.668 -21.505
  173   2HB   PHE  21          3HB       PHE  21 -25.059  -5.720 -22.214
  174    HD1  PHE  21           HD1      PHE  21 -22.640  -5.141 -22.093
  175    HD2  PHE  21           HD2      PHE  21 -25.636  -2.799 -20.078
  176    HE1  PHE  21           HE1      PHE  21 -20.873  -4.049 -20.736
  177    HE2  PHE  21           HE2      PHE  21 -23.878  -1.754 -18.681
  178    HZ   PHE  21           HZ       PHE  21 -21.492  -2.378 -18.998
  179    H    GLY  22           H        GLY  22 -28.001  -3.799 -23.098
  180   1HA   GLY  22          2HA       GLY  22 -29.758  -4.583 -24.832
  181   2HA   GLY  22          3HA       GLY  22 -28.901  -6.136 -24.755
  182    H    ALA  23           H        ALA  23 -31.609  -5.971 -24.034
  183    HA   ALA  23           HA       ALA  23 -32.454  -5.164 -21.614
  184   1HB   ALA  23          1HB       ALA  23 -33.249  -7.780 -22.946
  185   2HB   ALA  23          2HB       ALA  23 -34.196  -6.895 -21.731
  186   3HB   ALA  23          3HB       ALA  23 -33.890  -6.161 -23.317
  187    H    GLU  24           H        GLU  24 -31.074  -8.452 -21.942
  188    HA   GLU  24           HA       GLU  24 -31.236  -9.185 -19.160
  189   1HB   GLU  24          2HB       GLU  24 -29.324 -10.167 -21.324
  190   2HB   GLU  24          3HB       GLU  24 -29.589 -10.933 -19.754
  191   1HG   GLU  24          2HG       GLU  24 -31.974 -11.317 -20.350
  192   2HG   GLU  24          3HG       GLU  24 -31.681 -10.615 -21.946
  193    H    GLY  25           H        GLY  25 -28.531  -7.929 -21.093
  194   1HA   GLY  25          2HA       GLY  25 -26.596  -7.948 -18.974
  195   2HA   GLY  25          3HA       GLY  25 -26.423  -7.130 -20.527
  196    H    ASN  26           H        ASN  26 -28.687  -5.385 -20.235
  197    HA   ASN  26           HA       ASN  26 -27.668  -3.145 -18.787
  198   1HB   ASN  26          2HB       ASN  26 -30.483  -3.811 -19.779
  199   2HB   ASN  26          3HB       ASN  26 -30.013  -2.251 -19.100
  200   1HD2  ASN  26          2HD2      ASN  26 -31.108  -2.242 -21.611
  201   2HD2  ASN  26          1HD2      ASN  26 -29.822  -1.879 -22.769
  202    H    ARG  27           H        ARG  27 -30.264  -5.452 -17.999
  203    HA   ARG  27           HA       ARG  27 -30.841  -4.479 -15.330
  204   1HB   ARG  27          2HB       ARG  27 -31.308  -7.166 -16.690
  205   2HB   ARG  27          3HB       ARG  27 -31.840  -6.807 -15.042
  206   1HG   ARG  27          2HG       ARG  27 -33.232  -4.959 -15.817
  207   2HG   ARG  27          3HG       ARG  27 -32.668  -5.170 -17.481
  208   1HD   ARG  27          2HD       ARG  27 -33.635  -7.430 -17.556
  209   2HD   ARG  27          3HD       ARG  27 -34.179  -7.288 -15.885
  210    HE   ARG  27           HE       ARG  27 -35.371  -6.057 -18.280
  211   1HH1  ARG  27          1HH2      ARG  27 -35.377  -5.906 -14.775
  212   2HH1  ARG  27          2HH2      ARG  27 -36.924  -5.099 -14.737
  213   1HH2  ARG  27          1HH1      ARG  27 -37.316  -5.039 -18.151
  214   2HH2  ARG  27          2HH1      ARG  27 -37.980  -4.624 -16.594
  215    H    TYR  28           H        TYR  28 -28.672  -7.080 -16.461
  216    HA   TYR  28           HA       TYR  28 -27.762  -7.919 -13.909
  217   1HB   TYR  28          2HB       TYR  28 -27.466  -9.167 -16.028
  218   2HB   TYR  28          3HB       TYR  28 -26.296  -7.980 -16.572
  219    HD1  TYR  28           HD1      TYR  28 -26.988 -10.495 -13.877
  220    HD2  TYR  28           HD2      TYR  28 -24.021  -8.071 -15.854
  221    HE1  TYR  28           HE1      TYR  28 -25.184 -11.616 -12.556
  222    HE2  TYR  28           HE2      TYR  28 -22.228  -9.206 -14.544
  223    HH   TYR  28           HH       TYR  28 -21.740 -10.834 -13.076
  224    H    TYR  29           H        TYR  29 -26.162  -5.634 -16.192
  225    HA   TYR  29           HA       TYR  29 -24.023  -4.884 -14.507
  226   1HB   TYR  29          2HB       TYR  29 -24.129  -4.425 -16.935
  227   2HB   TYR  29          3HB       TYR  29 -25.399  -3.237 -16.664
  228    HD1  TYR  29           HD1      TYR  29 -24.859  -1.008 -15.907
  229    HD2  TYR  29           HD2      TYR  29 -21.840  -4.094 -15.894
  230    HE1  TYR  29           HE1      TYR  29 -23.127   0.676 -15.288
  231    HE2  TYR  29           HE2      TYR  29 -20.125  -2.417 -15.249
  232    HH   TYR  29           HH       TYR  29 -19.731  -0.250 -14.638
  233    H    ALA  30           H        ALA  30 -27.189  -3.192 -14.933
  234    HA   ALA  30           HA       ALA  30 -26.824  -1.106 -13.134
  235   1HB   ALA  30          1HB       ALA  30 -28.738  -1.312 -14.646
  236   2HB   ALA  30          2HB       ALA  30 -29.365  -2.684 -13.702
  237   3HB   ALA  30          3HB       ALA  30 -29.292  -1.063 -12.980
  238    H    ALA  31           H        ALA  31 -27.497  -4.463 -12.309
  239    HA   ALA  31           HA       ALA  31 -27.791  -3.898  -9.424
  240   1HB   ALA  31          1HB       ALA  31 -28.321  -6.319  -9.339
  241   2HB   ALA  31          2HB       ALA  31 -29.327  -5.451 -10.514
  242   3HB   ALA  31          3HB       ALA  31 -27.975  -6.449 -11.079
  243    H    ASN  32           H        ASN  32 -25.242  -5.007 -11.584
  244    HA   ASN  32           HA       ASN  32 -23.575  -5.893  -9.250
  245   1HB   ASN  32          2HB       ASN  32 -23.773  -7.100 -12.028
  246   2HB   ASN  32          3HB       ASN  32 -22.662  -7.615 -10.767
  247   1HD2  ASN  32          2HD2      ASN  32 -25.957  -7.713 -11.848
  248   2HD2  ASN  32          1HD2      ASN  32 -26.495  -8.891 -10.638
  249    H    TYR  33           H        TYR  33 -23.566  -3.383 -11.308
  250    HA   TYR  33           HA       TYR  33 -21.253  -3.091 -12.637
  251   1HB   TYR  33          2HB       TYR  33 -21.389  -0.699 -12.277
  252   2HB   TYR  33          3HB       TYR  33 -22.956  -1.401 -12.608
  253    HD1  TYR  33           HD1      TYR  33 -24.701  -1.499 -10.855
  254    HD2  TYR  33           HD2      TYR  33 -20.855   0.297 -10.107
  255    HE1  TYR  33           HE1      TYR  33 -25.613  -0.408  -8.823
  256    HE2  TYR  33           HE2      TYR  33 -21.764   1.385  -8.060
  257    HH   TYR  33           HH       TYR  33 -25.163   0.930  -7.012
  258    H    TRP  34           H        TRP  34 -21.379  -2.893  -9.127
  259    HA   TRP  34           HA       TRP  34 -18.886  -1.829  -8.458
  260   1HB   TRP  34          2HB       TRP  34 -19.145  -3.015  -6.345
  261   2HB   TRP  34          3HB       TRP  34 -20.641  -2.252  -6.852
  262    HD1  TRP  34           HD1      TRP  34 -22.673  -3.849  -7.562
  263    HE1  TRP  34           HE1      TRP  34 -23.201  -6.327  -7.094
  264    HE3  TRP  34           HE3      TRP  34 -18.087  -5.363  -5.835
  265    HZ2  TRP  34           HZ2      TRP  34 -21.804  -8.663  -6.204
  266    HZ3  TRP  34           HZ3      TRP  34 -17.738  -7.720  -5.115
  267    HH2  TRP  34           HH2      TRP  34 -19.578  -9.378  -5.304
  268    H    GLN  35           H        GLN  35 -19.519  -5.142  -9.579
  269    HA   GLN  35           HA       GLN  35 -16.917  -6.238  -8.929
  270   1HB   GLN  35          2HB       GLN  35 -18.875  -7.120 -11.100
  271   2HB   GLN  35          3HB       GLN  35 -17.526  -8.052 -10.454
  272   1HG   GLN  35          2HG       GLN  35 -18.616  -8.012  -8.204
  273   2HG   GLN  35          3HG       GLN  35 -20.029  -7.233  -8.934
  274   1HE2  GLN  35          2HE2      GLN  35 -20.704  -8.514 -11.130
  275   2HE2  GLN  35          1HE2      GLN  35 -20.872 -10.246 -10.855
  276    H    PHE  36           H        PHE  36 -18.192  -4.596 -11.759
  277    HA   PHE  36           HA       PHE  36 -16.318  -5.538 -13.686
  278   1HB   PHE  36          2HB       PHE  36 -18.289  -3.223 -13.645
  279   2HB   PHE  36          3HB       PHE  36 -17.365  -3.663 -15.047
  280    HD1  PHE  36           HD1      PHE  36 -19.960  -4.933 -12.688
  281    HD2  PHE  36           HD2      PHE  36 -18.037  -5.438 -16.506
  282    HE1  PHE  36           HE1      PHE  36 -21.806  -6.422 -13.414
  283    HE2  PHE  36           HE2      PHE  36 -19.893  -6.906 -17.231
  284    HZ   PHE  36           HZ       PHE  36 -21.786  -7.370 -15.722
  285    HA   PRO  37           HA       PRO  37 -13.110  -2.345 -13.589
  286   1HB   PRO  37          2HB       PRO  37 -12.114  -2.493 -16.091
  287   2HB   PRO  37          3HB       PRO  37 -11.965  -3.852 -14.950
  288   1HG   PRO  37          2HG       PRO  37 -14.072  -3.528 -17.107
  289   2HG   PRO  37          3HG       PRO  37 -13.002  -4.935 -16.813
  290   1HD   PRO  37          2HD       PRO  37 -15.527  -4.804 -15.797
  291   2HD   PRO  37          3HD       PRO  37 -14.194  -5.571 -14.887
  292    H    ASP  38           H        ASP  38 -12.990  -0.204 -14.009
  293    HA   ASP  38           HA       ASP  38 -15.142   1.137 -15.599
  294   1HB   ASP  38          2HB       ASP  38 -15.034   1.922 -13.344
  295   2HB   ASP  38          3HB       ASP  38 -13.280   2.023 -13.374
  296    H    GLY  39           H        GLY  39 -11.643   0.794 -15.283
  297   1HA   GLY  39          2HA       GLY  39 -11.291   1.695 -18.103
  298   2HA   GLY  39          3HA       GLY  39 -10.221   2.331 -16.845
  299    H    ILE  40           H        ILE  40  -8.953   1.139 -18.761
  300    HA   ILE  40           HA       ILE  40  -7.937  -1.402 -17.584
  301    HB   ILE  40           HB       ILE  40  -8.566  -0.972 -20.533
  302   1HG1  ILE  40          2HG1      ILE  40  -9.448  -3.217 -18.652
  303   2HG1  ILE  40          3HG1      ILE  40 -10.433  -1.802 -18.986
  304   1HG2  ILE  40          1HG2      ILE  40  -6.348  -2.012 -20.354
  305   2HG2  ILE  40          2HG2      ILE  40  -6.963  -3.171 -19.158
  306   3HG2  ILE  40          3HG2      ILE  40  -7.502  -3.235 -20.848
  307   1HD1  ILE  40          1HD1      ILE  40  -9.642  -3.923 -20.984
  308   2HD1  ILE  40          2HD1      ILE  40 -11.251  -3.513 -20.381
  309   3HD1  ILE  40          3HD1      ILE  40 -10.391  -2.378 -21.437
  310    H    TYR  41           H        TYR  41  -5.876  -1.242 -17.204
  311    HA   TYR  41           HA       TYR  41  -4.202   0.983 -18.119
  312   1HB   TYR  41          2HB       TYR  41  -3.959   0.097 -15.843
  313   2HB   TYR  41          3HB       TYR  41  -3.642  -1.509 -16.468
  314    HD1  TYR  41           HD1      TYR  41  -2.328   2.013 -16.835
  315    HD2  TYR  41           HD2      TYR  41  -1.426  -2.202 -16.686
  316    HE1  TYR  41           HE1      TYR  41   0.098   2.519 -17.112
  317    HE2  TYR  41           HE2      TYR  41   1.002  -1.694 -16.928
  318    HH   TYR  41           HH       TYR  41   2.202   1.657 -17.334
  319    H    TYR  42           H        TYR  42  -4.234   0.725 -20.355
  320    HA   TYR  42           HA       TYR  42  -2.219  -1.150 -21.390
  321   1HB   TYR  42          2HB       TYR  42  -4.272  -2.442 -21.732
  322   2HB   TYR  42          3HB       TYR  42  -5.050  -1.069 -22.513
  323    HD1  TYR  42           HD1      TYR  42  -2.118  -3.389 -22.798
  324    HD2  TYR  42           HD2      TYR  42  -4.809  -0.734 -24.871
  325    HE1  TYR  42           HE1      TYR  42  -1.088  -4.041 -24.970
  326    HE2  TYR  42           HE2      TYR  42  -3.797  -1.429 -27.051
  327    HH   TYR  42           HH       TYR  42  -1.043  -3.691 -27.221
  328    H    GLU  43           H        GLU  43  -0.962  -0.181 -22.809
  329    HA   GLU  43           HA       GLU  43  -1.716   2.465 -23.999
  330   1HB   GLU  43          2HB       GLU  43   0.891   1.741 -22.607
  331   2HB   GLU  43          3HB       GLU  43   0.546   3.256 -23.459
  332   1HG   GLU  43          2HG       GLU  43  -1.315   3.707 -21.852
  333   2HG   GLU  43          3HG       GLU  43  -0.897   2.233 -20.982
  334    H    GLY  44           H        GLY  44  -2.231   0.881 -25.683
  335   1HA   GLY  44          2HA       GLY  44  -0.370  -0.640 -27.166
  336   2HA   GLY  44          3HA       GLY  44  -1.873  -0.002 -27.806
  337    H    CYS  45           H        CYS  45  -1.076   2.800 -27.410
  338    HA   CYS  45           HA       CYS  45  -0.108   3.459 -29.938
  339   1HB   CYS  45          2HB       CYS  45  -0.041   5.078 -27.368
  340   2HB   CYS  45          3HB       CYS  45   0.127   5.743 -28.988
  341    H    SER  46           H        SER  46   1.775   2.878 -30.738
  342    HA   SER  46           HA       SER  46   4.336   3.337 -29.240
  343   1HB   SER  46          2HB       SER  46   3.710   1.118 -31.221
  344   2HB   SER  46          3HB       SER  46   5.254   1.399 -30.403
  345    HG   SER  46           HG       SER  46   2.753   0.753 -29.188
  346    H    GLU  47           H        GLU  47   3.077   2.941 -32.598
  347    HA   GLU  47           HA       GLU  47   4.562   5.293 -33.524
  348   1HB   GLU  47          2HB       GLU  47   5.670   4.064 -35.346
  349   2HB   GLU  47          3HB       GLU  47   6.247   3.547 -33.765
  350   1HG   GLU  47          2HG       GLU  47   4.804   1.516 -33.897
  351   2HG   GLU  47          3HG       GLU  47   4.215   2.043 -35.475
  352    H    ALA  48           H        ALA  48   3.896   5.984 -35.660
  353    HA   ALA  48           HA       ALA  48   1.187   6.104 -36.047
  354   1HB   ALA  48          1HB       ALA  48   1.745   7.123 -38.227
  355   2HB   ALA  48          2HB       ALA  48   2.804   7.705 -36.929
  356   3HB   ALA  48          3HB       ALA  48   3.402   6.495 -38.088
  357    H    ASN  49           H        ASN  49   3.226   3.565 -37.283
  358    HA   ASN  49           HA       ASN  49   1.436   2.508 -39.293
  359   1HB   ASN  49          2HB       ASN  49   3.670   1.162 -37.719
  360   2HB   ASN  49          3HB       ASN  49   2.877   0.501 -39.149
  361   1HD2  ASN  49          2HD2      ASN  49   5.720   1.812 -38.349
  362   2HD2  ASN  49          1HD2      ASN  49   6.033   2.694 -39.848
  363    H    VAL  50           H        VAL  50   1.445   2.183 -35.791
  364    HA   VAL  50           HA       VAL  50  -0.300  -0.155 -35.597
  365    HB   VAL  50           HB       VAL  50   0.172   2.126 -33.621
  366   1HG1  VAL  50          1HG1      VAL  50  -1.077  -0.623 -33.199
  367   2HG1  VAL  50          2HG1      VAL  50  -0.674   0.550 -31.922
  368   3HG1  VAL  50          3HG1      VAL  50  -1.917   0.944 -33.107
  369   1HG2  VAL  50          1HG2      VAL  50   1.431  -0.648 -33.754
  370   2HG2  VAL  50          2HG2      VAL  50   2.261   0.893 -34.062
  371   3HG2  VAL  50          3HG2      VAL  50   1.646   0.538 -32.445
  372    H    THR  51           H        THR  51  -2.379  -0.155 -36.369
  373    HA   THR  51           HA       THR  51  -3.822   2.398 -36.772
  374    HB   THR  51           HB       THR  51  -5.463   1.060 -37.956
  375    HG1  THR  51           1HG      THR  51  -4.949  -1.211 -38.202
  376   1HG2  THR  51          1HG2      THR  51  -4.153   0.201 -39.795
  377   2HG2  THR  51          2HG2      THR  51  -3.387   1.685 -39.199
  378   3HG2  THR  51          3HG2      THR  51  -2.696   0.098 -38.789
  379    H    LYS  52           H        LYS  52  -6.255   2.328 -36.254
  380    HA   LYS  52           HA       LYS  52  -6.702   1.832 -33.449
  381   1HB   LYS  52          2HB       LYS  52  -7.918   3.562 -34.764
  382   2HB   LYS  52          3HB       LYS  52  -8.805   2.283 -35.617
  383   1HG   LYS  52          2HG       LYS  52  -9.809   1.511 -33.534
  384   2HG   LYS  52          3HG       LYS  52  -8.753   2.561 -32.577
  385   1HD   LYS  52          2HD       LYS  52  -9.847   4.562 -33.595
  386   2HD   LYS  52          3HD       LYS  52 -10.965   3.476 -34.461
  387   1HE   LYS  52          2HE       LYS  52 -11.699   2.514 -32.288
  388   2HE   LYS  52          3HE       LYS  52 -10.564   3.559 -31.430
  389   1HZ   LYS  52          1HZ       LYS  52 -11.821   5.483 -32.267
  390   2HZ   LYS  52          2HZ       LYS  52 -12.895   4.498 -33.015
  391   3HZ   LYS  52          3HZ       LYS  52 -12.768   4.489 -31.382
  392    H    GLU  53           H        GLU  53  -7.840   0.006 -36.311
  393    HA   GLU  53           HA       GLU  53  -9.089  -2.081 -34.838
  394   1HB   GLU  53          2HB       GLU  53  -8.938  -3.465 -36.815
  395   2HB   GLU  53          3HB       GLU  53  -9.526  -1.844 -37.170
  396   1HG   GLU  53          2HG       GLU  53  -7.312  -1.216 -38.072
  397   2HG   GLU  53          3HG       GLU  53  -6.695  -2.835 -37.704
  398    H    MET  54           H        MET  54  -5.633  -1.791 -35.741
  399    HA   MET  54           HA       MET  54  -4.742  -4.237 -34.543
  400   1HB   MET  54          2HB       MET  54  -3.373  -1.571 -34.977
  401   2HB   MET  54          3HB       MET  54  -2.579  -2.931 -34.184
  402   1HG   MET  54          2HG       MET  54  -2.824  -4.330 -36.137
  403   2HG   MET  54          3HG       MET  54  -3.823  -3.125 -36.942
  404   1HE   MET  54          1HE       MET  54  -0.380  -2.627 -34.892
  405   2HE   MET  54          2HE       MET  54  -0.219  -4.151 -35.796
  406   3HE   MET  54          3HE       MET  54   0.759  -2.738 -36.247
  407    H    LEU  55           H        LEU  55  -4.866  -0.918 -33.084
  408    HA   LEU  55           HA       LEU  55  -3.905  -1.718 -30.558
  409   1HB   LEU  55          2HB       LEU  55  -3.927   0.558 -31.527
  410   2HB   LEU  55          3HB       LEU  55  -5.658   0.690 -31.233
  411    HG   LEU  55           HG       LEU  55  -3.761  -0.001 -28.960
  412   1HD1  LEU  55          1HD1      LEU  55  -4.365   2.798 -29.967
  413   2HD1  LEU  55          2HD1      LEU  55  -3.476   2.389 -28.483
  414   3HD1  LEU  55          3HD1      LEU  55  -2.793   1.971 -30.061
  415   1HD2  LEU  55          1HD2      LEU  55  -5.374   1.312 -27.604
  416   2HD2  LEU  55          2HD2      LEU  55  -6.360   1.592 -29.058
  417   3HD2  LEU  55          3HD2      LEU  55  -6.173  -0.039 -28.387
  418    H    VAL  56           H        VAL  56  -7.304  -1.167 -31.515
  419    HA   VAL  56           HA       VAL  56  -8.530  -1.687 -28.996
  420    HB   VAL  56           HB       VAL  56  -9.616  -2.069 -31.822
  421   1HG1  VAL  56          1HG1      VAL  56 -11.105  -1.908 -29.163
  422   2HG1  VAL  56          2HG1      VAL  56 -11.861  -1.808 -30.767
  423   3HG1  VAL  56          3HG1      VAL  56 -11.062  -3.298 -30.267
  424   1HG2  VAL  56          1HG2      VAL  56  -9.836   0.233 -29.834
  425   2HG2  VAL  56          2HG2      VAL  56  -8.901   0.263 -31.312
  426   3HG2  VAL  56          3HG2      VAL  56 -10.658   0.147 -31.414
  427    H    THR  57           H        THR  57  -7.876  -3.955 -31.712
  428    HA   THR  57           HA       THR  57  -8.853  -6.338 -30.417
  429    HB   THR  57           HB       THR  57  -6.697  -6.112 -32.565
  430    HG1  THR  57           1HG      THR  57  -8.373  -5.249 -33.497
  431   1HG2  THR  57          1HG2      THR  57  -6.791  -8.378 -31.625
  432   2HG2  THR  57          2HG2      THR  57  -8.565  -8.401 -31.795
  433   3HG2  THR  57          3HG2      THR  57  -7.522  -8.364 -33.233
  434    H    SER  58           H        SER  58  -5.552  -4.948 -30.636
  435    HA   SER  58           HA       SER  58  -4.208  -6.941 -29.104
  436   1HB   SER  58          2HB       SER  58  -3.516  -4.000 -29.368
  437   2HB   SER  58          3HB       SER  58  -2.454  -5.284 -28.759
  438    HG   SER  58           HG       SER  58  -3.523  -4.976 -31.368
  439    H    CYS  59           H        CYS  59  -5.904  -3.995 -28.033
  440    HA   CYS  59           HA       CYS  59  -5.341  -4.149 -25.262
  441   1HB   CYS  59          2HB       CYS  59  -6.307  -2.196 -26.294
  442   2HB   CYS  59          3HB       CYS  59  -7.708  -3.078 -26.844
  443    H    VAL  60           H        VAL  60  -8.132  -5.647 -26.997
  444    HA   VAL  60           HA       VAL  60  -9.204  -7.058 -24.748
  445    HB   VAL  60           HB       VAL  60  -9.236  -7.702 -27.711
  446   1HG1  VAL  60          1HG1      VAL  60  -9.562  -9.845 -26.590
  447   2HG1  VAL  60          2HG1      VAL  60 -10.771  -9.119 -25.507
  448   3HG1  VAL  60          3HG1      VAL  60 -11.092  -9.266 -27.245
  449   1HG2  VAL  60          1HG2      VAL  60 -11.555  -6.929 -27.561
  450   2HG2  VAL  60          2HG2      VAL  60 -11.383  -6.693 -25.805
  451   3HG2  VAL  60          3HG2      VAL  60 -10.475  -5.670 -26.951
  452    H    ASN  61           H        ASN  61  -6.739  -8.123 -27.090
  453    HA   ASN  61           HA       ASN  61  -6.171 -10.670 -25.910
  454   1HB   ASN  61          2HB       ASN  61  -4.603  -8.804 -27.729
  455   2HB   ASN  61          3HB       ASN  61  -3.902 -10.295 -27.115
  456   1HD2  ASN  61          2HD2      ASN  61  -6.599  -9.029 -29.127
  457   2HD2  ASN  61          1HD2      ASN  61  -6.834 -10.579 -29.935
  458    H    ALA  62           H        ALA  62  -4.616  -7.477 -25.253
  459    HA   ALA  62           HA       ALA  62  -2.748  -8.417 -23.306
  460   1HB   ALA  62          1HB       ALA  62  -4.076  -5.688 -23.646
  461   2HB   ALA  62          2HB       ALA  62  -2.616  -6.035 -22.701
  462   3HB   ALA  62          3HB       ALA  62  -2.596  -6.241 -24.459
  463    H    THR  63           H        THR  63  -6.029  -7.071 -22.974
  464    HA   THR  63           HA       THR  63  -6.317  -7.175 -20.175
  465    HB   THR  63           HB       THR  63  -8.550  -7.653 -22.185
  466    HG1  THR  63           1HG      THR  63  -7.507  -5.766 -22.692
  467   1HG2  THR  63          1HG2      THR  63  -9.202  -8.019 -19.807
  468   2HG2  THR  63          2HG2      THR  63  -8.556  -6.414 -19.396
  469   3HG2  THR  63          3HG2      THR  63  -9.948  -6.561 -20.483
  470    H    GLN  64           H        GLN  64  -7.209  -9.734 -22.545
  471    HA   GLN  64           HA       GLN  64  -7.984 -11.764 -20.803
  472   1HB   GLN  64          2HB       GLN  64  -6.561 -11.831 -23.476
  473   2HB   GLN  64          3HB       GLN  64  -7.013 -13.314 -22.626
  474   1HG   GLN  64          2HG       GLN  64  -9.341 -12.753 -22.663
  475   2HG   GLN  64          3HG       GLN  64  -9.003 -11.124 -23.259
  476   1HE2  GLN  64          2HE2      GLN  64 -10.813 -12.147 -24.772
  477   2HE2  GLN  64          1HE2      GLN  64 -10.155 -12.866 -26.240
  478    H    ALA  65           H        ALA  65  -4.654 -11.281 -22.087
  479    HA   ALA  65           HA       ALA  65  -3.354 -13.236 -20.594
  480   1HB   ALA  65          1HB       ALA  65  -2.452 -12.138 -22.599
  481   2HB   ALA  65          2HB       ALA  65  -2.261 -10.617 -21.699
  482   3HB   ALA  65          3HB       ALA  65  -1.304 -12.044 -21.251
  483    H    ALA  66           H        ALA  66  -3.914  -9.834 -19.690
  484    HA   ALA  66           HA       ALA  66  -2.324  -9.896 -17.291
  485   1HB   ALA  66          1HB       ALA  66  -4.490  -7.983 -18.226
  486   2HB   ALA  66          2HB       ALA  66  -3.342  -7.683 -16.898
  487   3HB   ALA  66          3HB       ALA  66  -2.748  -7.855 -18.561
  488    H    ASN  67           H        ASN  67  -5.839 -10.349 -17.818
  489    HA   ASN  67           HA       ASN  67  -6.211 -10.664 -14.858
  490   1HB   ASN  67          2HB       ASN  67  -8.352  -9.852 -16.844
  491   2HB   ASN  67          3HB       ASN  67  -8.396  -9.734 -15.095
  492   1HD2  ASN  67          2HD2      ASN  67  -7.257  -8.320 -18.033
  493   2HD2  ASN  67          1HD2      ASN  67  -6.796  -6.760 -17.376
  494    H    GLN  68           H        GLN  68  -5.355 -12.811 -16.372
  495    HA   GLN  68           HA       GLN  68  -7.208 -14.640 -17.380
  496   1HB   GLN  68          2HB       GLN  68  -4.661 -15.133 -15.799
  497   2HB   GLN  68          3HB       GLN  68  -5.582 -16.427 -16.586
  498   1HG   GLN  68          2HG       GLN  68  -5.313 -15.302 -18.775
  499   2HG   GLN  68          3HG       GLN  68  -4.362 -14.033 -18.001
  500   1HE2  GLN  68          2HE2      GLN  68  -3.899 -16.626 -19.947
  501   2HE2  GLN  68          1HE2      GLN  68  -2.342 -17.154 -19.319
  502    H    ALA  69           H        ALA  69  -6.175 -14.468 -13.962
  503    HA   ALA  69           HA       ALA  69  -7.779 -16.515 -12.911
  504   1HB   ALA  69          1HB       ALA  69  -6.866 -13.936 -11.566
  505   2HB   ALA  69          2HB       ALA  69  -7.374 -15.435 -10.750
  506   3HB   ALA  69          3HB       ALA  69  -5.904 -15.424 -11.737
  507    H    GLU  70           H        GLU  70  -8.656 -13.070 -13.310
  508    HA   GLU  70           HA       GLU  70 -11.216 -13.116 -12.033
  509   1HB   GLU  70          2HB       GLU  70 -10.288 -11.404 -14.369
  510   2HB   GLU  70          3HB       GLU  70 -11.716 -11.107 -13.400
  511   1HG   GLU  70          2HG       GLU  70  -8.917 -11.143 -12.191
  512   2HG   GLU  70          3HG       GLU  70  -9.624  -9.716 -12.926
  513    H    PHE  71           H        PHE  71 -10.391 -13.523 -15.494
  514    HA   PHE  71           HA       PHE  71 -13.042 -14.189 -16.347
  515   1HB   PHE  71          2HB       PHE  71 -10.383 -14.934 -17.618
  516   2HB   PHE  71          3HB       PHE  71 -11.961 -15.033 -18.393
  517    HD1  PHE  71           HD1      PHE  71  -9.112 -13.124 -18.470
  518    HD2  PHE  71           HD2      PHE  71 -13.376 -12.622 -17.955
  519    HE1  PHE  71           HE1      PHE  71  -8.920 -10.739 -19.062
  520    HE2  PHE  71           HE2      PHE  71 -13.166 -10.249 -18.602
  521    HZ   PHE  71           HZ       PHE  71 -10.930  -9.295 -19.121
  522    H    SER  72           H        SER  72 -10.285 -16.416 -15.677
  523    HA   SER  72           HA       SER  72 -11.608 -18.831 -16.145
  524   1HB   SER  72          2HB       SER  72  -9.371 -18.193 -14.194
  525   2HB   SER  72          3HB       SER  72  -9.918 -19.838 -14.578
  526    HG   SER  72           HG       SER  72  -8.157 -19.173 -15.904
  527    H    ARG  73           H        ARG  73 -11.418 -17.140 -12.971
  528    HA   ARG  73           HA       ARG  73 -12.908 -19.060 -11.449
  529   1HB   ARG  73          2HB       ARG  73 -12.420 -16.075 -11.128
  530   2HB   ARG  73          3HB       ARG  73 -13.475 -16.967 -10.025
  531   1HG   ARG  73          2HG       ARG  73 -11.667 -18.561  -9.519
  532   2HG   ARG  73          3HG       ARG  73 -10.546 -17.660 -10.544
  533   1HD   ARG  73          2HD       ARG  73 -12.025 -16.265  -8.280
  534   2HD   ARG  73          3HD       ARG  73 -10.647 -17.296  -7.928
  535    HE   ARG  73           HE       ARG  73  -9.167 -15.832  -8.979
  536   1HH1  ARG  73          1HH2      ARG  73 -12.405 -14.395  -9.287
  537   2HH1  ARG  73          2HH2      ARG  73 -11.645 -12.842  -9.670
  538   1HH2  ARG  73          1HH1      ARG  73  -8.456 -13.745  -9.387
  539   2HH2  ARG  73          2HH1      ARG  73  -9.698 -12.542  -9.747
  540    H    GLU  74           H        GLU  74 -14.104 -16.165 -13.115
  541    HA   GLU  74           HA       GLU  74 -16.891 -16.670 -12.508
  542   1HB   GLU  74          2HB       GLU  74 -15.501 -14.874 -14.532
  543   2HB   GLU  74          3HB       GLU  74 -17.252 -14.947 -14.378
  544   1HG   GLU  74          2HG       GLU  74 -15.341 -14.185 -12.127
  545   2HG   GLU  74          3HG       GLU  74 -16.258 -13.058 -13.123
  546    H    LYS  75           H        LYS  75 -15.237 -16.947 -15.647
  547    HA   LYS  75           HA       LYS  75 -17.307 -17.669 -17.279
  548   1HB   LYS  75          2HB       LYS  75 -15.024 -17.055 -17.960
  549   2HB   LYS  75          3HB       LYS  75 -14.432 -18.647 -17.475
  550   1HG   LYS  75          2HG       LYS  75 -15.779 -19.723 -19.212
  551   2HG   LYS  75          3HG       LYS  75 -16.548 -18.177 -19.623
  552   1HD   LYS  75          2HD       LYS  75 -14.332 -17.256 -20.273
  553   2HD   LYS  75          3HD       LYS  75 -13.571 -18.810 -19.914
  554   1HE   LYS  75          2HE       LYS  75 -15.776 -18.365 -21.984
  555   2HE   LYS  75          3HE       LYS  75 -14.050 -18.389 -22.352
  556   1HZ   LYS  75          1HZ       LYS  75 -13.969 -20.691 -21.544
  557   2HZ   LYS  75          2HZ       LYS  75 -15.578 -20.684 -21.244
  558   3HZ   LYS  75          3HZ       LYS  75 -15.031 -20.550 -22.772
  559    H    GLN  76           H        GLN  76 -15.603 -20.005 -15.279
  560    HA   GLN  76           HA       GLN  76 -16.599 -22.432 -16.364
  561   1HB   GLN  76          2HB       GLN  76 -15.804 -21.652 -13.536
  562   2HB   GLN  76          3HB       GLN  76 -16.226 -23.303 -13.985
  563   1HG   GLN  76          2HG       GLN  76 -13.981 -21.718 -15.309
  564   2HG   GLN  76          3HG       GLN  76 -13.756 -22.831 -13.964
  565   1HE2  GLN  76          2HE2      GLN  76 -14.297 -25.186 -14.350
  566   2HE2  GLN  76          1HE2      GLN  76 -14.172 -25.768 -16.007
  567    H    ASP  77           H        ASP  77 -18.313 -20.110 -14.386
  568    HA   ASP  77           HA       ASP  77 -20.782 -21.817 -14.468
  569   1HB   ASP  77          2HB       ASP  77 -19.665 -22.055 -12.272
  570   2HB   ASP  77          3HB       ASP  77 -19.727 -20.308 -12.049
  571    H    SER  78           H        SER  78 -19.456 -18.561 -14.121
  572    HA   SER  78           HA       SER  78 -21.954 -17.158 -13.927
  573   1HB   SER  78          2HB       SER  78 -19.550 -16.655 -13.013
  574   2HB   SER  78          3HB       SER  78 -19.278 -15.905 -14.576
  575    HG   SER  78           HG       SER  78 -20.053 -14.521 -12.884
  576    H    LYS  79           H        LYS  79 -22.898 -18.060 -15.885
  577    HA   LYS  79           HA       LYS  79 -22.073 -17.736 -18.520
  578   1HB   LYS  79          2HB       LYS  79 -23.894 -19.194 -17.718
  579   2HB   LYS  79          3HB       LYS  79 -24.949 -17.793 -17.506
  580   1HG   LYS  79          2HG       LYS  79 -24.778 -17.307 -19.948
  581   2HG   LYS  79          3HG       LYS  79 -23.728 -18.714 -20.156
  582   1HD   LYS  79          2HD       LYS  79 -26.605 -18.805 -19.131
  583   2HD   LYS  79          3HD       LYS  79 -26.115 -19.088 -20.807
  584   1HE   LYS  79          2HE       LYS  79 -24.699 -21.002 -20.075
  585   2HE   LYS  79          3HE       LYS  79 -25.231 -20.751 -18.407
  586   1HZ   LYS  79          1HZ       LYS  79 -26.549 -22.467 -19.501
  587   2HZ   LYS  79          2HZ       LYS  79 -27.513 -21.204 -19.134
  588   3HZ   LYS  79          3HZ       LYS  79 -27.022 -21.440 -20.676
  589    H    LEU  80           H        LEU  80 -24.594 -15.614 -17.131
  590    HA   LEU  80           HA       LEU  80 -24.591 -13.825 -19.344
  591   1HB   LEU  80          2HB       LEU  80 -26.490 -14.097 -17.822
  592   2HB   LEU  80          3HB       LEU  80 -25.575 -13.361 -16.505
  593    HG   LEU  80           HG       LEU  80 -25.550 -11.196 -17.662
  594   1HD1  LEU  80          1HD1      LEU  80 -27.150 -12.572 -19.867
  595   2HD1  LEU  80          2HD1      LEU  80 -26.886 -10.821 -19.717
  596   3HD1  LEU  80          3HD1      LEU  80 -25.518 -11.881 -20.035
  597   1HD2  LEU  80          1HD2      LEU  80 -27.489 -11.742 -16.248
  598   2HD2  LEU  80          2HD2      LEU  80 -27.980 -10.726 -17.617
  599   3HD2  LEU  80          3HD2      LEU  80 -28.323 -12.466 -17.640
  600    H    HIS  81           H        HIS  81 -22.761 -13.623 -16.276
  601    HA   HIS  81           HA       HIS  81 -21.900 -10.982 -16.422
  602   1HB   HIS  81          2HB       HIS  81 -21.518 -12.639 -14.555
  603   2HB   HIS  81          3HB       HIS  81 -20.158 -13.268 -15.461
  604    HD1  HIS  81           HD1      HIS  81 -19.065 -12.325 -12.942
  605    HD2  HIS  81           HD2      HIS  81 -20.152  -9.525 -15.928
  606    HE1  HIS  81           HE1      HIS  81 -17.951 -10.080 -12.316
  607    HE2  HIS  81           HE2      HIS  81 -18.616  -8.396 -14.156
  608    H    GLN  82           H        GLN  82 -20.274 -13.786 -17.959
  609    HA   GLN  82           HA       GLN  82 -18.072 -12.455 -19.114
  610   1HB   GLN  82          2HB       GLN  82 -19.684 -14.813 -20.165
  611   2HB   GLN  82          3HB       GLN  82 -18.177 -14.256 -20.892
  612   1HG   GLN  82          2HG       GLN  82 -18.458 -15.239 -18.021
  613   2HG   GLN  82          3HG       GLN  82 -17.845 -16.176 -19.378
  614   1HE2  GLN  82          2HE2      GLN  82 -16.832 -14.310 -16.761
  615   2HE2  GLN  82          1HE2      GLN  82 -15.243 -13.910 -17.398
  616    H    ARG  83           H        ARG  83 -21.273 -12.916 -20.671
  617    HA   ARG  83           HA       ARG  83 -20.804 -11.566 -23.122
  618   1HB   ARG  83          2HB       ARG  83 -23.343 -11.711 -21.438
  619   2HB   ARG  83          3HB       ARG  83 -23.281 -11.085 -23.081
  620   1HG   ARG  83          2HG       ARG  83 -22.699 -13.223 -24.001
  621   2HG   ARG  83          3HG       ARG  83 -22.357 -13.906 -22.407
  622   1HD   ARG  83          2HD       ARG  83 -24.510 -14.707 -23.261
  623   2HD   ARG  83          3HD       ARG  83 -24.684 -13.788 -21.760
  624    HE   ARG  83           HE       ARG  83 -25.071 -12.135 -24.138
  625   1HH1  ARG  83          1HH2      ARG  83 -26.862 -14.398 -22.081
  626   2HH1  ARG  83          2HH2      ARG  83 -28.359 -13.524 -22.444
  627   1HH2  ARG  83          1HH1      ARG  83 -27.111 -11.203 -24.479
  628   2HH2  ARG  83          2HH1      ARG  83 -28.475 -11.948 -23.635
  629    H    VAL  84           H        VAL  84 -22.108 -10.167 -20.168
  630    HA   VAL  84           HA       VAL  84 -22.202  -7.428 -21.029
  631    HB   VAL  84           HB       VAL  84 -21.978  -8.441 -18.170
  632   1HG1  VAL  84          1HG1      VAL  84 -23.395  -5.981 -19.262
  633   2HG1  VAL  84          2HG1      VAL  84 -23.231  -6.453 -17.571
  634   3HG1  VAL  84          3HG1      VAL  84 -21.798  -5.938 -18.487
  635   1HG2  VAL  84          1HG2      VAL  84 -24.416  -8.129 -19.965
  636   2HG2  VAL  84          2HG2      VAL  84 -23.841  -9.630 -19.232
  637   3HG2  VAL  84          3HG2      VAL  84 -24.490  -8.367 -18.200
  638    H    LEU  85           H        LEU  85 -19.794  -9.120 -18.993
  639    HA   LEU  85           HA       LEU  85 -17.998  -6.999 -18.584
  640   1HB   LEU  85          2HB       LEU  85 -18.071  -9.121 -17.334
  641   2HB   LEU  85          3HB       LEU  85 -17.487  -9.993 -18.750
  642    HG   LEU  85           HG       LEU  85 -15.323  -8.805 -18.608
  643   1HD1  LEU  85          1HD1      LEU  85 -16.502  -7.536 -16.091
  644   2HD1  LEU  85          2HD1      LEU  85 -14.790  -7.482 -16.569
  645   3HD1  LEU  85          3HD1      LEU  85 -15.999  -6.677 -17.571
  646   1HD2  LEU  85          1HD2      LEU  85 -15.668 -10.936 -17.403
  647   2HD2  LEU  85          2HD2      LEU  85 -14.560  -9.879 -16.512
  648   3HD2  LEU  85          3HD2      LEU  85 -16.245 -10.049 -15.975
  649    H    TRP  86           H        TRP  86 -17.829  -9.484 -21.192
  650    HA   TRP  86           HA       TRP  86 -15.550  -8.344 -22.483
  651   1HB   TRP  86          2HB       TRP  86 -17.729 -10.212 -23.434
  652   2HB   TRP  86          3HB       TRP  86 -16.444  -9.648 -24.506
  653    HD1  TRP  86           HD1      TRP  86 -17.063 -12.413 -22.204
  654    HE1  TRP  86           HE1      TRP  86 -14.936 -13.428 -21.207
  655    HE3  TRP  86           HE3      TRP  86 -13.699  -8.974 -23.937
  656    HZ2  TRP  86           HZ2      TRP  86 -12.117 -12.713 -21.050
  657    HZ3  TRP  86           HZ3      TRP  86 -11.305  -9.116 -23.311
  658    HH2  TRP  86           HH2      TRP  86 -10.546 -10.917 -21.747
  659    H    ARG  87           H        ARG  87 -19.013  -7.693 -23.035
  660    HA   ARG  87           HA       ARG  87 -18.616  -5.754 -25.132
  661   1HB   ARG  87          2HB       ARG  87 -20.828  -6.619 -24.689
  662   2HB   ARG  87          3HB       ARG  87 -20.790  -6.026 -23.035
  663   1HG   ARG  87          2HG       ARG  87 -22.201  -4.601 -24.385
  664   2HG   ARG  87          3HG       ARG  87 -20.806  -3.685 -23.834
  665   1HD   ARG  87          2HD       ARG  87 -19.735  -4.075 -26.099
  666   2HD   ARG  87          3HD       ARG  87 -21.230  -4.854 -26.628
  667    HE   ARG  87           HE       ARG  87 -20.711  -1.986 -26.331
  668   1HH1  ARG  87          1HH2      ARG  87 -23.427  -4.232 -26.364
  669   2HH1  ARG  87          2HH2      ARG  87 -24.549  -2.878 -26.345
  670   1HH2  ARG  87          1HH1      ARG  87 -22.092  -0.505 -26.560
  671   2HH2  ARG  87          2HH1      ARG  87 -23.837  -0.821 -26.624
  672    H    LEU  88           H        LEU  88 -18.707  -5.278 -21.583
  673    HA   LEU  88           HA       LEU  88 -18.162  -2.488 -21.606
  674   1HB   LEU  88          2HB       LEU  88 -18.816  -4.190 -19.675
  675   2HB   LEU  88          3HB       LEU  88 -17.081  -4.249 -19.405
  676    HG   LEU  88           HG       LEU  88 -18.858  -1.757 -19.375
  677   1HD1  LEU  88          1HD1      LEU  88 -18.413  -1.778 -16.963
  678   2HD1  LEU  88          2HD1      LEU  88 -19.177  -3.295 -17.472
  679   3HD1  LEU  88          3HD1      LEU  88 -17.419  -3.235 -17.165
  680   1HD2  LEU  88          1HD2      LEU  88 -15.876  -2.076 -18.865
  681   2HD2  LEU  88          2HD2      LEU  88 -16.684  -0.967 -20.007
  682   3HD2  LEU  88          3HD2      LEU  88 -16.806  -0.692 -18.276
  683    H    ILE  89           H        ILE  89 -15.807  -5.190 -21.323
  684    HA   ILE  89           HA       ILE  89 -13.395  -3.710 -21.451
  685    HB   ILE  89           HB       ILE  89 -14.076  -6.485 -22.466
  686   1HG1  ILE  89          2HG1      ILE  89 -12.380  -5.598 -20.084
  687   2HG1  ILE  89          3HG1      ILE  89 -14.100  -5.923 -19.957
  688   1HG2  ILE  89          1HG2      ILE  89 -11.327  -5.156 -22.352
  689   2HG2  ILE  89          2HG2      ILE  89 -11.605  -6.883 -22.625
  690   3HG2  ILE  89          3HG2      ILE  89 -12.168  -5.720 -23.808
  691   1HD1  ILE  89          1HD1      ILE  89 -13.715  -8.263 -20.756
  692   2HD1  ILE  89          2HD1      ILE  89 -11.961  -7.951 -20.715
  693   3HD1  ILE  89          3HD1      ILE  89 -12.914  -7.870 -19.226
  694    H    LYS  90           H        LYS  90 -15.344  -4.924 -24.217
  695    HA   LYS  90           HA       LYS  90 -13.749  -3.720 -26.254
  696   1HB   LYS  90          2HB       LYS  90 -15.478  -5.518 -26.571
  697   2HB   LYS  90          3HB       LYS  90 -16.743  -4.301 -26.353
  698   1HG   LYS  90          2HG       LYS  90 -15.890  -3.063 -28.335
  699   2HG   LYS  90          3HG       LYS  90 -14.600  -4.269 -28.522
  700   1HD   LYS  90          2HD       LYS  90 -16.332  -6.042 -28.868
  701   2HD   LYS  90          3HD       LYS  90 -17.599  -4.833 -28.638
  702   1HE   LYS  90          2HE       LYS  90 -17.401  -5.159 -30.983
  703   2HE   LYS  90          3HE       LYS  90 -16.720  -3.571 -30.624
  704   1HZ   LYS  90          1HZ       LYS  90 -15.137  -6.053 -31.074
  705   2HZ   LYS  90          2HZ       LYS  90 -15.316  -4.846 -32.154
  706   3HZ   LYS  90          3HZ       LYS  90 -14.495  -4.578 -30.771
  707    H    GLU  91           H        GLU  91 -16.621  -2.323 -24.600
  708    HA   GLU  91           HA       GLU  91 -16.615   0.210 -25.915
  709   1HB   GLU  91          2HB       GLU  91 -17.356  -0.509 -23.060
  710   2HB   GLU  91          3HB       GLU  91 -17.583   1.086 -23.736
  711   1HG   GLU  91          2HG       GLU  91 -18.850  -1.459 -24.836
  712   2HG   GLU  91          3HG       GLU  91 -19.627  -0.339 -23.732
  713    H    ILE  92           H        ILE  92 -14.721  -0.788 -23.030
  714    HA   ILE  92           HA       ILE  92 -13.272   1.690 -22.754
  715    HB   ILE  92           HB       ILE  92 -12.540  -1.124 -21.866
  716   1HG1  ILE  92          2HG1      ILE  92 -13.499   1.286 -20.265
  717   2HG1  ILE  92          3HG1      ILE  92 -14.586   0.040 -20.856
  718   1HG2  ILE  92          1HG2      ILE  92 -10.448   0.152 -22.094
  719   2HG2  ILE  92          2HG2      ILE  92 -11.181   1.557 -21.283
  720   3HG2  ILE  92          3HG2      ILE  92 -10.855   0.064 -20.393
  721   1HD1  ILE  92          1HD1      ILE  92 -13.386  -1.681 -19.535
  722   2HD1  ILE  92          2HD1      ILE  92 -12.349  -0.410 -18.848
  723   3HD1  ILE  92          3HD1      ILE  92 -14.080  -0.387 -18.531
  724    H    CYS  93           H        CYS  93 -12.240  -1.374 -24.357
  725    HA   CYS  93           HA       CYS  93  -9.762  -0.391 -25.300
  726   1HB   CYS  93          2HB       CYS  93 -11.554  -2.615 -26.306
  727   2HB   CYS  93          3HB       CYS  93  -9.964  -2.285 -26.981
  728    H    SER  94           H        SER  94 -12.889  -0.448 -27.070
  729    HA   SER  94           HA       SER  94 -11.925   0.724 -29.486
  730   1HB   SER  94          2HB       SER  94 -14.246   1.188 -30.041
  731   2HB   SER  94          3HB       SER  94 -13.996  -0.469 -29.477
  732    HG   SER  94           HG       SER  94 -14.860   0.059 -27.514
  733    H    ALA  95           H        ALA  95 -12.795   2.331 -26.475
  734    HA   ALA  95           HA       ALA  95 -12.917   4.998 -27.584
  735   1HB   ALA  95          1HB       ALA  95 -12.300   4.106 -24.738
  736   2HB   ALA  95          2HB       ALA  95 -12.805   5.721 -25.261
  737   3HB   ALA  95          3HB       ALA  95 -13.927   4.357 -25.414
  738    H    LYS  96           H        LYS  96 -10.207   2.934 -26.695
  739    HA   LYS  96           HA       LYS  96  -8.250   4.932 -26.088
  740   1HB   LYS  96          2HB       LYS  96  -7.802   2.134 -27.205
  741   2HB   LYS  96          3HB       LYS  96  -6.587   3.174 -26.449
  742   1HG   LYS  96          2HG       LYS  96  -8.028   3.166 -24.356
  743   2HG   LYS  96          3HG       LYS  96  -9.021   1.916 -25.148
  744   1HD   LYS  96          2HD       LYS  96  -7.246   0.360 -25.218
  745   2HD   LYS  96          3HD       LYS  96  -6.030   1.557 -24.751
  746   1HE   LYS  96          2HE       LYS  96  -8.386   1.005 -22.917
  747   2HE   LYS  96          3HE       LYS  96  -7.046  -0.132 -22.950
  748   1HZ   LYS  96          1HZ       LYS  96  -5.536   1.757 -22.443
  749   2HZ   LYS  96          2HZ       LYS  96  -6.821   2.763 -22.307
  750   3HZ   LYS  96          3HZ       LYS  96  -6.641   1.523 -21.252
  751    H    HIS  97           H        HIS  97  -7.531   6.468 -27.356
  752    HA   HIS  97           HA       HIS  97  -6.900   5.966 -30.202
  753   1HB   HIS  97          2HB       HIS  97  -7.736   8.253 -30.607
  754   2HB   HIS  97          3HB       HIS  97  -8.931   7.165 -29.894
  755    HD1  HIS  97           HD1      HIS  97  -6.489   9.095 -27.613
  756    HD2  HIS  97           HD2      HIS  97 -10.498   9.004 -28.945
  757    HE1  HIS  97           HE1      HIS  97  -7.799  10.751 -26.117
  758    HE2  HIS  97           HE2      HIS  97 -10.243  10.683 -26.930
  759    H    CYS  98           H        CYS  98  -5.088   6.773 -31.129
  760    HA   CYS  98           HA       CYS  98  -2.985   7.778 -29.280
  761   1HB   CYS  98          2HB       CYS  98  -2.706   6.799 -32.134
  762   2HB   CYS  98          3HB       CYS  98  -1.416   7.120 -30.984
  763    H    ASP  99           H        ASP  99  -2.127   9.747 -29.382
  764    HA   ASP  99           HA       ASP  99  -3.272  11.927 -30.771
  765   1HB   ASP  99          2HB       ASP  99  -1.955  12.069 -28.685
  766   2HB   ASP  99          3HB       ASP  99  -0.492  11.629 -29.567
  767    H    PHE 100           H        PHE 100  -0.493   9.907 -31.653
  768    HA   PHE 100           HA       PHE 100   0.422  11.513 -33.842
  769   1HB   PHE 100          2HB       PHE 100   1.848   9.574 -34.369
  770   2HB   PHE 100          3HB       PHE 100   1.945  10.116 -32.713
  771    HD1  PHE 100           HD1      PHE 100  -0.019   7.554 -34.725
  772    HD2  PHE 100           HD2      PHE 100   2.164   8.441 -31.110
  773    HE1  PHE 100           HE1      PHE 100  -0.291   5.211 -33.980
  774    HE2  PHE 100           HE2      PHE 100   1.927   6.091 -30.399
  775    HZ   PHE 100           HZ       PHE 100   0.659   4.462 -31.838
  776    H    TRP 101           H        TRP 101  -2.361   9.486 -33.813
  777    HA   TRP 101           HA       TRP 101  -2.155   8.289 -36.386
  778   1HB   TRP 101          2HB       TRP 101  -4.546   8.999 -34.661
  779   2HB   TRP 101          3HB       TRP 101  -4.725   8.245 -36.233
  780    HD1  TRP 101           HD1      TRP 101  -2.011   6.301 -35.617
  781    HE1  TRP 101           HE1      TRP 101  -2.512   4.120 -34.426
  782    HE3  TRP 101           HE3      TRP 101  -6.609   7.465 -33.650
  783    HZ2  TRP 101           HZ2      TRP 101  -4.513   3.048 -32.675
  784    HZ3  TRP 101           HZ3      TRP 101  -7.836   5.767 -32.302
  785    HH2  TRP 101           HH2      TRP 101  -6.767   3.575 -31.761
  786    H    LEU 102           H        LEU 102  -2.733   8.708 -38.340
  787    HA   LEU 102           HA       LEU 102  -3.973  11.206 -39.209
  788   1HB   LEU 102          2HB       LEU 102  -2.207  11.921 -40.606
  789   2HB   LEU 102          3HB       LEU 102  -1.551  11.765 -38.997
  790    HG   LEU 102           HG       LEU 102  -1.161   9.614 -41.122
  791   1HD1  LEU 102          1HD1      LEU 102   1.016  10.639 -41.601
  792   2HD1  LEU 102          2HD1      LEU 102  -0.309  11.745 -41.990
  793   3HD1  LEU 102          3HD1      LEU 102   0.635  11.985 -40.502
  794   1HD2  LEU 102          1HD2      LEU 102   0.433  10.303 -38.614
  795   2HD2  LEU 102          2HD2      LEU 102  -0.568   8.853 -38.854
  796   3HD2  LEU 102          3HD2      LEU 102   0.883   9.078 -39.820
  797    H    GLU 103           H        GLU 103  -3.649  11.039 -41.882
  798    HA   GLU 103           HA       GLU 103  -5.531   9.037 -42.644
  799   1HB   GLU 103          2HB       GLU 103  -3.727  10.808 -44.341
  800   2HB   GLU 103          3HB       GLU 103  -5.078   9.850 -44.960
  801   1HG   GLU 103          2HG       GLU 103  -6.640  11.085 -43.461
  802   2HG   GLU 103          3HG       GLU 103  -5.304  12.101 -42.918
  803    H    ARG 104           H        ARG 104  -2.127   8.746 -42.445
  804    HA   ARG 104           HA       ARG 104  -2.091   6.087 -43.797
  805   1HB   ARG 104          2HB       ARG 104  -0.109   8.358 -44.316
  806   2HB   ARG 104          3HB       ARG 104   0.076   6.718 -44.924
  807   1HG   ARG 104          2HG       ARG 104  -2.180   8.611 -45.707
  808   2HG   ARG 104          3HG       ARG 104  -0.727   8.276 -46.642
  809   1HD   ARG 104          2HD       ARG 104  -1.340   5.902 -46.838
  810   2HD   ARG 104          3HD       ARG 104  -2.798   6.165 -45.888
  811    HE   ARG 104           HE       ARG 104  -2.301   6.987 -48.683
  812   1HH1  ARG 104          1HH2      ARG 104  -4.564   7.279 -45.996
  813   2HH1  ARG 104          2HH2      ARG 104  -5.863   7.740 -47.070
  814   1HH2  ARG 104          1HH1      ARG 104  -3.988   7.602 -49.941
  815   2HH2  ARG 104          2HH1      ARG 104  -5.539   7.933 -49.221
  816    H    GLY 105           H        GLY 105   0.365   5.271 -43.496
  817   1HA   GLY 105          2HA       GLY 105   0.838   4.980 -40.602
  818   2HA   GLY 105          3HA       GLY 105   1.718   4.193 -41.914
  819    H    ALA 106           H        ALA 106   3.680   4.670 -40.784
  820    HA   ALA 106           HA       ALA 106   4.563   7.328 -40.116
  821   1HB   ALA 106          1HB       ALA 106   5.482   5.273 -39.094
  822   2HB   ALA 106          2HB       ALA 106   6.167   4.797 -40.670
  823   3HB   ALA 106          3HB       ALA 106   6.758   6.252 -39.842
  824    H    ALA 107           H        ALA 107   5.793   8.790 -41.183
  825    HA   ALA 107           HA       ALA 107   6.802   8.352 -43.924
  826   1HB   ALA 107          1HB       ALA 107   4.475   9.130 -44.239
  827   2HB   ALA 107          2HB       ALA 107   4.796  10.539 -43.202
  828   3HB   ALA 107          3HB       ALA 107   5.637  10.367 -44.757
  Start of MODEL    5
    1   1H    ARG   1          H1        ARG   1   8.966   1.790  -0.741
    2   2H    ARG   1          H2        ARG   1   9.528   2.461   0.642
    3   3H    ARG   1          H3        ARG   1   8.150   1.574   0.663
    4    HA   ARG   1           HA       ARG   1   8.485   4.126  -0.782
    5   1HB   ARG   1          2HB       ARG   1   5.998   2.413  -0.310
    6   2HB   ARG   1          3HB       ARG   1   5.971   4.064  -0.937
    7   1HG   ARG   1          2HG       ARG   1   7.362   3.369  -2.876
    8   2HG   ARG   1          3HG       ARG   1   7.334   1.693  -2.289
    9   1HD   ARG   1          2HD       ARG   1   4.871   1.662  -2.463
   10   2HD   ARG   1          3HD       ARG   1   4.887   3.340  -3.047
   11    HE   ARG   1           HE       ARG   1   6.597   1.848  -4.741
   12   1HH1  ARG   1          1HH2      ARG   1   3.166   1.933  -4.072
   13   2HH1  ARG   1          2HH2      ARG   1   2.757   1.352  -5.667
   14   1HH2  ARG   1          1HH1      ARG   1   6.020   1.121  -6.731
   15   2HH2  ARG   1          2HH1      ARG   1   4.336   0.910  -7.125
   16    H    VAL   2           H        VAL   2   7.519   5.963   0.147
   17    HA   VAL   2           HA       VAL   2   8.279   6.461   2.782
   18    HB   VAL   2           HB       VAL   2   6.214   8.004   1.168
   19   1HG1  VAL   2          1HG1      VAL   2   6.152   8.720   3.523
   20   2HG1  VAL   2          2HG1      VAL   2   7.925   8.861   3.548
   21   3HG1  VAL   2          3HG1      VAL   2   6.945   9.950   2.542
   22   1HG2  VAL   2          1HG2      VAL   2   8.146   9.453   0.568
   23   2HG2  VAL   2          2HG2      VAL   2   9.241   8.330   1.401
   24   3HG2  VAL   2          3HG2      VAL   2   8.352   7.817  -0.051
   25    H    ALA   3           H        ALA   3   4.932   5.846   1.695
   26    HA   ALA   3           HA       ALA   3   3.544   6.253   4.060
   27   1HB   ALA   3          1HB       ALA   3   3.001   4.172   1.903
   28   2HB   ALA   3          2HB       ALA   3   1.821   4.797   3.075
   29   3HB   ALA   3          3HB       ALA   3   2.517   5.886   1.859
   30    H    GLU   4           H        GLU   4   5.373   3.337   3.218
   31    HA   GLU   4           HA       GLU   4   4.365   1.575   5.230
   32   1HB   GLU   4          2HB       GLU   4   7.094   1.594   3.885
   33   2HB   GLU   4          3HB       GLU   4   6.397   0.249   4.785
   34   1HG   GLU   4          2HG       GLU   4   4.557   0.063   3.149
   35   2HG   GLU   4          3HG       GLU   4   5.212   1.420   2.228
   36    H    ASN   5           H        ASN   5   6.669   4.090   5.400
   37    HA   ASN   5           HA       ASN   5   6.987   3.759   8.336
   38   1HB   ASN   5          2HB       ASN   5   8.940   2.632   7.282
   39   2HB   ASN   5          3HB       ASN   5   9.318   4.113   6.403
   40   1HD2  ASN   5          2HD2      ASN   5   8.550   3.311   9.890
   41   2HD2  ASN   5          1HD2      ASN   5   9.962   4.194  10.458
   42    H    ARG   6           H        ARG   6   5.218   5.334   7.565
   43    HA   ARG   6           HA       ARG   6   5.920   8.022   6.834
   44   1HB   ARG   6          2HB       ARG   6   3.528   8.484   7.321
   45   2HB   ARG   6          3HB       ARG   6   3.789   7.093   6.269
   46   1HG   ARG   6          2HG       ARG   6   3.582   5.623   8.382
   47   2HG   ARG   6          3HG       ARG   6   3.008   7.075   9.208
   48   1HD   ARG   6          2HD       ARG   6   1.114   7.227   7.684
   49   2HD   ARG   6          3HD       ARG   6   1.762   5.941   6.660
   50    HE   ARG   6           HE       ARG   6   0.440   5.633   9.288
   51   1HH1  ARG   6          1HH1      ARG   6   2.275   3.845   6.862
   52   2HH1  ARG   6          2HH1      ARG   6   1.652   2.332   7.472
   53   1HH2  ARG   6          2HH2      ARG   6  -0.246   3.772   9.948
   54   2HH2  ARG   6          1HH2      ARG   6   0.268   2.272   9.192
   55    HA   PRO   7           HA       PRO   7   7.056   9.891  10.753
   56   1HB   PRO   7          2HB       PRO   7   5.206  12.137   9.944
   57   2HB   PRO   7          3HB       PRO   7   6.883  12.219  10.562
   58   1HG   PRO   7          2HG       PRO   7   6.379  12.529   7.919
   59   2HG   PRO   7          3HG       PRO   7   7.770  11.537   8.461
   60   1HD   PRO   7          2HD       PRO   7   5.056  10.595   7.526
   61   2HD   PRO   7          3HD       PRO   7   6.686   9.971   7.120
   62    H    GLY   8           H        GLY   8   6.255   9.107  12.629
   63   1HA   GLY   8          2HA       GLY   8   4.641   9.236  14.434
   64   2HA   GLY   8          3HA       GLY   8   3.343   9.195  13.247
   65    H    ALA   9           H        ALA   9   5.312   7.000  11.854
   66    HA   ALA   9           HA       ALA   9   3.647   4.830  12.562
   67   1HB   ALA   9          1HB       ALA   9   5.282   3.462  11.281
   68   2HB   ALA   9          2HB       ALA   9   4.827   4.951  10.438
   69   3HB   ALA   9          3HB       ALA   9   6.401   4.842  11.259
   70    H    PHE  10           H        PHE  10   3.643   3.300  14.099
   71    HA   PHE  10           HA       PHE  10   5.413   3.264  16.361
   72   1HB   PHE  10          2HB       PHE  10   3.630   1.083  15.213
   73   2HB   PHE  10          3HB       PHE  10   4.397   1.003  16.761
   74    HD1  PHE  10           HD1      PHE  10   1.379   0.828  15.892
   75    HD2  PHE  10           HD2      PHE  10   3.788   3.906  17.728
   76    HE1  PHE  10           HE1      PHE  10  -0.605   1.664  17.119
   77    HE2  PHE  10           HE2      PHE  10   1.800   4.742  18.923
   78    HZ   PHE  10           HZ       PHE  10  -0.400   3.603  18.643
   79    H    ILE  11           H        ILE  11   7.079   1.939  16.936
   80    HA   ILE  11           HA       ILE  11   8.166  -0.031  14.962
   81    HB   ILE  11           HB       ILE  11   9.764   1.598  16.966
   82   1HG1  ILE  11          2HG1      ILE  11   9.806   1.783  13.917
   83   2HG1  ILE  11          3HG1      ILE  11   8.941   2.915  14.951
   84   1HG2  ILE  11          1HG2      ILE  11  10.620  -0.712  16.574
   85   2HG2  ILE  11          2HG2      ILE  11  10.626  -0.408  14.826
   86   3HG2  ILE  11          3HG2      ILE  11  11.713   0.491  15.907
   87   1HD1  ILE  11          1HD1      ILE  11  11.952   2.510  14.938
   88   2HD1  ILE  11          2HD1      ILE  11  11.053   3.900  14.326
   89   3HD1  ILE  11          3HD1      ILE  11  11.061   3.561  16.067
   90    H    LYS  12           H        LYS  12   7.141  -1.740  15.678
   91    HA   LYS  12           HA       LYS  12   6.856  -2.383  18.580
   92   1HB   LYS  12          2HB       LYS  12   5.688  -3.754  16.121
   93   2HB   LYS  12          3HB       LYS  12   5.405  -4.219  17.804
   94   1HG   LYS  12          2HG       LYS  12   4.461  -1.908  18.209
   95   2HG   LYS  12          3HG       LYS  12   4.573  -1.608  16.471
   96   1HD   LYS  12          2HD       LYS  12   3.100  -3.665  16.143
   97   2HD   LYS  12          3HD       LYS  12   2.956  -3.757  17.912
   98   1HE   LYS  12          2HE       LYS  12   2.108  -1.320  17.816
   99   2HE   LYS  12          3HE       LYS  12   1.998  -1.535  16.061
  100   1HZ   LYS  12          1HZ       LYS  12   0.538  -3.509  16.582
  101   2HZ   LYS  12          2HZ       LYS  12   0.529  -3.028  18.156
  102   3HZ   LYS  12          3HZ       LYS  12  -0.130  -2.081  16.983
  103    H    GLN  13           H        GLN  13   8.938  -2.864  19.151
  104    HA   GLN  13           HA       GLN  13  10.405  -5.098  17.893
  105   1HB   GLN  13          2HB       GLN  13  11.041  -3.555  20.443
  106   2HB   GLN  13          3HB       GLN  13  12.063  -4.749  19.639
  107   1HG   GLN  13          2HG       GLN  13  11.818  -3.193  17.530
  108   2HG   GLN  13          3HG       GLN  13  11.352  -1.958  18.701
  109   1HE2  GLN  13          2HE2      GLN  13  13.035  -1.352  20.403
  110   2HE2  GLN  13          1HE2      GLN  13  14.721  -1.688  20.000
  111    H    GLY  14           H        GLY  14   8.078  -4.685  20.431
  112   1HA   GLY  14          2HA       GLY  14   6.867  -6.270  21.624
  113   2HA   GLY  14          3HA       GLY  14   7.768  -7.532  20.782
  114    H    ARG  15           H        ARG  15   8.497  -4.927  23.086
  115    HA   ARG  15           HA       ARG  15  10.082  -6.751  24.856
  116   1HB   ARG  15          2HB       ARG  15  11.435  -5.352  23.233
  117   2HB   ARG  15          3HB       ARG  15  10.741  -3.911  23.962
  118   1HG   ARG  15          2HG       ARG  15  11.779  -4.420  26.127
  119   2HG   ARG  15          3HG       ARG  15  12.322  -5.997  25.528
  120   1HD   ARG  15          2HD       ARG  15  14.179  -4.463  25.540
  121   2HD   ARG  15          3HD       ARG  15  13.767  -4.884  23.868
  122    HE   ARG  15           HE       ARG  15  12.369  -2.569  24.129
  123   1HH1  ARG  15          1HH1      ARG  15  15.731  -3.102  25.013
  124   2HH1  ARG  15          2HH1      ARG  15  16.122  -1.434  24.674
  125   1HH2  ARG  15          1HH2      ARG  15  12.915  -0.684  23.646
  126   2HH2  ARG  15          2HH2      ARG  15  14.537  -0.035  23.909
  127    H    LYS  16           H        LYS  16   9.653  -6.579  26.968
  128    HA   LYS  16           HA       LYS  16   7.576  -4.765  27.964
  129   1HB   LYS  16          2HB       LYS  16   7.934  -7.214  28.638
  130   2HB   LYS  16          3HB       LYS  16   9.300  -6.660  29.605
  131   1HG   LYS  16          2HG       LYS  16   7.623  -5.006  30.686
  132   2HG   LYS  16          3HG       LYS  16   6.349  -5.920  29.895
  133   1HD   LYS  16          2HD       LYS  16   8.399  -7.044  31.866
  134   2HD   LYS  16          3HD       LYS  16   6.744  -6.569  32.272
  135   1HE   LYS  16          2HE       LYS  16   5.849  -8.262  30.711
  136   2HE   LYS  16          3HE       LYS  16   7.493  -8.749  30.275
  137   1HZ   LYS  16          1HZ       LYS  16   7.837  -9.424  32.592
  138   2HZ   LYS  16          2HZ       LYS  16   6.318  -8.973  32.998
  139   3HZ   LYS  16          3HZ       LYS  16   6.554 -10.214  31.967
  140    H    LEU  17           H        LEU  17   8.189  -2.707  28.032
  141    HA   LEU  17           HA       LEU  17  10.738  -1.676  28.993
  142   1HB   LEU  17          2HB       LEU  17   8.033  -0.362  28.501
  143   2HB   LEU  17          3HB       LEU  17   9.510   0.526  28.819
  144    HG   LEU  17           HG       LEU  17   9.196  -1.320  26.407
  145   1HD1  LEU  17          1HD1      LEU  17   8.823   1.690  26.651
  146   2HD1  LEU  17          2HD1      LEU  17   8.858   0.763  25.131
  147   3HD1  LEU  17          3HD1      LEU  17   7.565   0.481  26.306
  148   1HD2  LEU  17          1HD2      LEU  17  11.221   0.856  27.107
  149   2HD2  LEU  17          2HD2      LEU  17  11.541  -0.893  26.985
  150   3HD2  LEU  17          3HD2      LEU  17  11.098   0.027  25.543
  151    H    ASP  18           H        ASP  18  10.566   0.179  30.686
  152    HA   ASP  18           HA       ASP  18   9.080  -0.693  33.135
  153   1HB   ASP  18          2HB       ASP  18  11.411  -1.340  33.344
  154   2HB   ASP  18          3HB       ASP  18  11.942   0.291  32.931
  155    H    ILE  19           H        ILE  19   7.443   0.698  32.912
  156    HA   ILE  19           HA       ILE  19   7.892   3.616  33.311
  157    HB   ILE  19           HB       ILE  19   6.130   2.268  31.231
  158   1HG1  ILE  19          2HG1      ILE  19   8.121   4.579  31.015
  159   2HG1  ILE  19          3HG1      ILE  19   8.473   2.897  30.612
  160   1HG2  ILE  19          1HG2      ILE  19   5.876   5.169  32.156
  161   2HG2  ILE  19          2HG2      ILE  19   5.040   4.437  30.771
  162   3HG2  ILE  19          3HG2      ILE  19   4.657   3.885  32.384
  163   1HD1  ILE  19          1HD1      ILE  19   6.658   2.947  28.904
  164   2HD1  ILE  19          2HD1      ILE  19   6.521   4.703  29.160
  165   3HD1  ILE  19          3HD1      ILE  19   8.038   4.014  28.563
  166    H    ASP  20           H        ASP  20   6.612   4.438  34.881
  167    HA   ASP  20           HA       ASP  20   4.565   2.696  36.157
  168   1HB   ASP  20          2HB       ASP  20   6.131   3.874  37.632
  169   2HB   ASP  20          3HB       ASP  20   5.596   5.428  36.982
  170    H    PHE  21           H        PHE  21   2.839   2.613  34.987
  171    HA   PHE  21           HA       PHE  21   1.467   4.905  33.724
  172   1HB   PHE  21          2HB       PHE  21   0.636   1.993  34.078
  173   2HB   PHE  21          3HB       PHE  21  -0.114   3.168  33.016
  174    HD1  PHE  21           HD1      PHE  21   1.137   4.005  31.006
  175    HD2  PHE  21           HD2      PHE  21   2.593   0.734  33.379
  176    HE1  PHE  21           HE1      PHE  21   2.629   3.323  29.145
  177    HE2  PHE  21           HE2      PHE  21   4.051   0.022  31.509
  178    HZ   PHE  21           HZ       PHE  21   4.039   1.288  29.367
  179    H    GLY  22           H        GLY  22   1.263   2.796  36.457
  180   1HA   GLY  22          2HA       GLY  22   0.082   3.720  38.580
  181   2HA   GLY  22          3HA       GLY  22  -1.314   3.935  37.505
  182    H    ALA  23           H        ALA  23  -1.334   2.210  39.801
  183    HA   ALA  23           HA       ALA  23  -0.482  -0.333  39.703
  184   1HB   ALA  23          1HB       ALA  23  -1.682   0.647  41.586
  185   2HB   ALA  23          2HB       ALA  23  -3.220   0.543  40.697
  186   3HB   ALA  23          3HB       ALA  23  -2.361  -0.939  41.170
  187    H    GLU  24           H        GLU  24  -3.691   0.426  38.305
  188    HA   GLU  24           HA       GLU  24  -4.182  -2.224  37.257
  189   1HB   GLU  24          2HB       GLU  24  -5.334   0.461  36.387
  190   2HB   GLU  24          3HB       GLU  24  -5.952  -1.117  35.906
  191   1HG   GLU  24          2HG       GLU  24  -5.886  -0.016  38.751
  192   2HG   GLU  24          3HG       GLU  24  -7.291  -0.096  37.702
  193    H    GLY  25           H        GLY  25  -2.912   0.717  35.719
  194   1HA   GLY  25          2HA       GLY  25  -2.651  -0.317  33.058
  195   2HA   GLY  25          3HA       GLY  25  -1.838   1.106  33.708
  196    H    ASN  26           H        ASN  26  -0.365  -0.183  35.764
  197    HA   ASN  26           HA       ASN  26   2.002  -1.134  34.482
  198   1HB   ASN  26          2HB       ASN  26   1.028  -1.399  37.368
  199   2HB   ASN  26          3HB       ASN  26   2.650  -1.821  36.817
  200   1HD2  ASN  26          2HD2      ASN  26   2.378   0.038  38.875
  201   2HD2  ASN  26          1HD2      ASN  26   2.839   1.613  38.214
  202    H    ARG  27           H        ARG  27  -0.553  -2.874  36.236
  203    HA   ARG  27           HA       ARG  27   0.383  -5.569  35.706
  204   1HB   ARG  27          2HB       ARG  27  -2.369  -4.459  36.406
  205   2HB   ARG  27          3HB       ARG  27  -2.034  -6.183  36.204
  206   1HG   ARG  27          2HG       ARG  27  -0.349  -6.113  37.993
  207   2HG   ARG  27          3HG       ARG  27  -0.624  -4.376  38.219
  208   1HD   ARG  27          2HD       ARG  27  -2.969  -4.805  38.841
  209   2HD   ARG  27          3HD       ARG  27  -2.738  -6.542  38.551
  210    HE   ARG  27           HE       ARG  27  -0.806  -5.564  40.461
  211   1HH1  ARG  27          1HH2      ARG  27  -4.188  -6.456  40.322
  212   2HH1  ARG  27          2HH2      ARG  27  -4.231  -6.890  42.013
  213   1HH2  ARG  27          1HH1      ARG  27  -0.926  -6.122  42.591
  214   2HH2  ARG  27          2HH1      ARG  27  -2.431  -6.695  43.256
  215    H    TYR  28           H        TYR  28  -1.929  -3.488  33.945
  216    HA   TYR  28           HA       TYR  28  -2.671  -5.391  31.972
  217   1HB   TYR  28          2HB       TYR  28  -3.907  -3.320  32.450
  218   2HB   TYR  28          3HB       TYR  28  -2.580  -2.357  31.823
  219    HD1  TYR  28           HD1      TYR  28  -2.405  -1.882  29.515
  220    HD2  TYR  28           HD2      TYR  28  -5.041  -5.026  30.843
  221    HE1  TYR  28           HE1      TYR  28  -3.258  -2.160  27.191
  222    HE2  TYR  28           HE2      TYR  28  -5.878  -5.305  28.502
  223    HH   TYR  28           HH       TYR  28  -4.783  -3.141  25.886
  224    H    TYR  29           H        TYR  29  -0.183  -2.794  31.766
  225    HA   TYR  29           HA       TYR  29   0.873  -3.484  29.231
  226   1HB   TYR  29          2HB       TYR  29   1.346  -1.366  30.405
  227   2HB   TYR  29          3HB       TYR  29   2.283  -2.228  31.615
  228    HD1  TYR  29           HD1      TYR  29   2.085  -1.438  27.953
  229    HD2  TYR  29           HD2      TYR  29   4.579  -2.809  31.203
  230    HE1  TYR  29           HE1      TYR  29   4.059  -1.421  26.445
  231    HE2  TYR  29           HE2      TYR  29   6.549  -2.774  29.697
  232    HH   TYR  29           HH       TYR  29   6.274  -1.943  26.224
  233    H    ALA  30           H        ALA  30   2.073  -4.533  32.482
  234    HA   ALA  30           HA       ALA  30   4.193  -6.139  31.648
  235   1HB   ALA  30          1HB       ALA  30   2.300  -6.574  33.995
  236   2HB   ALA  30          2HB       ALA  30   3.917  -7.288  33.818
  237   3HB   ALA  30          3HB       ALA  30   3.741  -5.530  33.981
  238    H    ALA  31           H        ALA  31   0.762  -7.028  31.684
  239    HA   ALA  31           HA       ALA  31   1.251  -9.778  30.781
  240   1HB   ALA  31          1HB       ALA  31  -1.291  -8.162  31.226
  241   2HB   ALA  31          2HB       ALA  31  -1.222  -9.902  30.863
  242   3HB   ALA  31          3HB       ALA  31  -0.530  -9.281  32.374
  243    H    ASN  32           H        ASN  32   0.414  -6.712  29.192
  244    HA   ASN  32           HA       ASN  32  -0.118  -8.175  26.629
  245   1HB   ASN  32          2HB       ASN  32  -1.422  -5.644  27.683
  246   2HB   ASN  32          3HB       ASN  32  -1.758  -6.426  26.144
  247   1HD2  ASN  32          2HD2      ASN  32  -2.321  -6.552  29.555
  248   2HD2  ASN  32          1HD2      ASN  32  -3.518  -7.858  29.482
  249    H    TYR  33           H        TYR  33   2.373  -6.419  27.704
  250    HA   TYR  33           HA       TYR  33   2.863  -4.292  26.104
  251   1HB   TYR  33          2HB       TYR  33   5.214  -4.633  26.384
  252   2HB   TYR  33          3HB       TYR  33   4.355  -4.981  27.865
  253    HD1  TYR  33           HD1      TYR  33   6.372  -6.387  25.116
  254    HD2  TYR  33           HD2      TYR  33   4.224  -7.276  28.746
  255    HE1  TYR  33           HE1      TYR  33   7.529  -8.589  25.259
  256    HE2  TYR  33           HE2      TYR  33   5.378  -9.473  28.890
  257    HH   TYR  33           HH       TYR  33   7.767 -10.540  26.437
  258    H    TRP  34           H        TRP  34   2.934  -7.573  24.888
  259    HA   TRP  34           HA       TRP  34   4.305  -7.318  22.446
  260   1HB   TRP  34          2HB       TRP  34   3.010  -9.230  21.714
  261   2HB   TRP  34          3HB       TRP  34   3.557  -9.438  23.367
  262    HD1  TRP  34           HD1      TRP  34   1.715  -9.538  25.280
  263    HE1  TRP  34           HE1      TRP  34  -0.841  -9.893  25.264
  264    HE3  TRP  34           HE3      TRP  34   0.810  -8.891  20.272
  265    HZ2  TRP  34           HZ2      TRP  34  -2.992  -9.716  23.387
  266    HZ3  TRP  34           HZ3      TRP  34  -1.509  -9.069  19.387
  267    HH2  TRP  34           HH2      TRP  34  -3.415  -9.470  20.929
  268    H    GLN  35           H        GLN  35   1.010  -6.210  23.185
  269    HA   GLN  35           HA       GLN  35   0.202  -5.599  20.477
  270   1HB   GLN  35          2HB       GLN  35  -0.712  -4.323  23.096
  271   2HB   GLN  35          3HB       GLN  35  -1.524  -4.210  21.533
  272   1HG   GLN  35          2HG       GLN  35  -1.832  -6.686  21.544
  273   2HG   GLN  35          3HG       GLN  35  -1.162  -6.740  23.182
  274   1HE2  GLN  35          1HE2      GLN  35  -2.297  -4.867  24.642
  275   2HE2  GLN  35          2HE2      GLN  35  -4.054  -4.967  24.585
  276    H    PHE  36           H        PHE  36   1.895  -3.775  22.943
  277    HA   PHE  36           HA       PHE  36   1.470  -1.129  21.879
  278   1HB   PHE  36          2HB       PHE  36   3.317  -2.253  24.031
  279   2HB   PHE  36          3HB       PHE  36   3.104  -0.561  23.731
  280    HD1  PHE  36           HD1      PHE  36   1.230  -3.625  24.787
  281    HD2  PHE  36           HD2      PHE  36   1.377   0.676  24.806
  282    HE1  PHE  36           HE1      PHE  36  -0.471  -3.578  26.588
  283    HE2  PHE  36           HE2      PHE  36  -0.318   0.719  26.594
  284    HZ   PHE  36           HZ       PHE  36  -1.203  -1.391  27.532
  285    HA   PRO  37           HA       PRO  37   5.359  -0.638  19.561
  286   1HB   PRO  37          2HB       PRO  37   5.811   2.006  19.731
  287   2HB   PRO  37          3HB       PRO  37   4.370   1.379  18.905
  288   1HG   PRO  37          2HG       PRO  37   4.498   2.335  21.781
  289   2HG   PRO  37          3HG       PRO  37   3.394   2.901  20.485
  290   1HD   PRO  37          2HD       PRO  37   2.644   0.951  22.207
  291   2HD   PRO  37          3HD       PRO  37   2.194   0.860  20.482
  292    H    ASP  38           H        ASP  38   7.608  -0.114  19.950
  293    HA   ASP  38           HA       ASP  38   8.438   0.145  22.830
  294   1HB   ASP  38          2HB       ASP  38   9.081  -2.029  22.072
  295   2HB   ASP  38          3HB       ASP  38   9.714  -1.410  20.556
  296    H    GLY  39           H        GLY  39   9.016   1.109  19.480
  297   1HA   GLY  39          2HA       GLY  39  10.059   3.745  20.422
  298   2HA   GLY  39          3HA       GLY  39  10.800   2.911  19.046
  299    H    ILE  40           H        ILE  40   9.877   5.351  18.556
  300    HA   ILE  40           HA       ILE  40   7.585   4.892  16.714
  301    HB   ILE  40           HB       ILE  40   7.825   7.261  18.611
  302   1HG1  ILE  40          2HG1      ILE  40   5.496   5.332  18.183
  303   2HG1  ILE  40          3HG1      ILE  40   6.686   5.134  19.460
  304   1HG2  ILE  40          1HG2      ILE  40   5.984   6.868  16.204
  305   2HG2  ILE  40          2HG2      ILE  40   5.799   8.154  17.412
  306   3HG2  ILE  40          3HG2      ILE  40   7.223   8.130  16.398
  307   1HD1  ILE  40          1HD1      ILE  40   6.075   7.436  20.321
  308   2HD1  ILE  40          2HD1      ILE  40   4.689   7.382  19.208
  309   3HD1  ILE  40          3HD1      ILE  40   4.853   6.164  20.482
  310    H    TYR  41           H        TYR  41   8.121   5.463  14.741
  311    HA   TYR  41           HA       TYR  41  10.589   6.946  14.123
  312   1HB   TYR  41          2HB       TYR  41   9.860   5.086  12.687
  313   2HB   TYR  41          3HB       TYR  41   8.316   5.877  12.397
  314    HD1  TYR  41           HD1      TYR  41  11.995   6.147  11.838
  315    HD2  TYR  41           HD2      TYR  41   8.095   7.659  10.816
  316    HE1  TYR  41           HE1      TYR  41  12.997   7.517   9.994
  317    HE2  TYR  41           HE2      TYR  41   9.070   9.024   8.998
  318    HH   TYR  41           HH       TYR  41  11.092   9.793   8.022
  319    H    TYR  42           H        TYR  42  10.619   9.151  14.204
  320    HA   TYR  42           HA       TYR  42   8.544  10.670  12.953
  321   1HB   TYR  42          2HB       TYR  42   7.470  10.508  15.147
  322   2HB   TYR  42          3HB       TYR  42   8.930  11.093  15.940
  323    HD1  TYR  42           HD1      TYR  42   6.719  12.073  13.036
  324    HD2  TYR  42           HD2      TYR  42   8.931  13.394  16.493
  325    HE1  TYR  42           HE1      TYR  42   6.029  14.426  12.581
  326    HE2  TYR  42           HE2      TYR  42   8.150  15.736  16.088
  327    HH   TYR  42           HH       TYR  42   6.743  17.059  14.834
  328    H    GLU  43           H        GLU  43   9.765  11.725  11.672
  329    HA   GLU  43           HA       GLU  43  12.429  12.758  12.281
  330   1HB   GLU  43          2HB       GLU  43  12.247  13.477   9.843
  331   2HB   GLU  43          3HB       GLU  43  12.186  11.750  10.180
  332   1HG   GLU  43          2HG       GLU  43   9.841  11.602   9.831
  333   2HG   GLU  43          3HG       GLU  43   9.626  13.335   9.855
  334    H    GLY  44           H        GLY  44  11.136  13.963  14.071
  335   1HA   GLY  44          2HA       GLY  44   9.825  16.456  13.477
  336   2HA   GLY  44          3HA       GLY  44  10.498  15.977  15.034
  337    H    CYS  45           H        CYS  45  13.199  15.718  14.353
  338    HA   CYS  45           HA       CYS  45  14.172  18.357  14.659
  339   1HB   CYS  45          2HB       CYS  45  15.589  15.792  13.845
  340   2HB   CYS  45          3HB       CYS  45  16.400  17.251  14.395
  341    H    SER  46           H        SER  46  14.621  19.919  13.244
  342    HA   SER  46           HA       SER  46  15.664  19.310  10.533
  343   1HB   SER  46          2HB       SER  46  14.293  21.111   9.556
  344   2HB   SER  46          3HB       SER  46  13.335  19.740  10.136
  345    HG   SER  46           HG       SER  46  12.410  21.737  10.751
  346    H    GLU  47           H        GLU  47  14.935  22.103  12.647
  347    HA   GLU  47           HA       GLU  47  17.786  22.930  12.657
  348   1HB   GLU  47          2HB       GLU  47  17.212  25.229  12.025
  349   2HB   GLU  47          3HB       GLU  47  16.819  24.095  10.736
  350   1HG   GLU  47          2HG       GLU  47  14.415  24.165  11.394
  351   2HG   GLU  47          3HG       GLU  47  14.809  25.265  12.713
  352    H    ALA  48           H        ALA  48  18.285  24.594  14.256
  353    HA   ALA  48           HA       ALA  48  17.477  23.940  16.787
  354   1HB   ALA  48          1HB       ALA  48  19.596  25.018  16.181
  355   2HB   ALA  48          2HB       ALA  48  18.737  26.539  15.837
  356   3HB   ALA  48          3HB       ALA  48  18.789  25.895  17.492
  357    H    ASN  49           H        ASN  49  15.776  26.205  14.776
  358    HA   ASN  49           HA       ASN  49  14.307  27.609  16.831
  359   1HB   ASN  49          2HB       ASN  49  13.717  27.062  13.892
  360   2HB   ASN  49          3HB       ASN  49  12.680  28.035  14.934
  361   1HD2  ASN  49          2HD2      ASN  49  15.085  28.398  12.655
  362   2HD2  ASN  49          1HD2      ASN  49  15.735  29.917  13.276
  363    H    VAL  50           H        VAL  50  13.915  24.374  15.496
  364    HA   VAL  50           HA       VAL  50  11.262  23.839  16.612
  365    HB   VAL  50           HB       VAL  50  13.512  21.944  15.797
  366   1HG1  VAL  50          1HG1      VAL  50  10.593  21.357  16.457
  367   2HG1  VAL  50          2HG1      VAL  50  11.749  20.207  15.747
  368   3HG1  VAL  50          3HG1      VAL  50  12.017  20.814  17.377
  369   1HG2  VAL  50          1HG2      VAL  50  10.972  22.787  14.335
  370   2HG2  VAL  50          2HG2      VAL  50  12.639  23.205  13.876
  371   3HG2  VAL  50          3HG2      VAL  50  12.108  21.524  13.808
  372    H    THR  51           H        THR  51  10.896  23.909  18.779
  373    HA   THR  51           HA       THR  51  13.085  23.423  20.707
  374    HB   THR  51           HB       THR  51  11.517  24.088  22.410
  375    HG1  THR  51           1HG      THR  51   9.391  24.728  21.737
  376   1HG2  THR  51          1HG2      THR  51  12.560  25.923  21.075
  377   2HG2  THR  51          2HG2      THR  51  11.110  25.963  20.046
  378   3HG2  THR  51          3HG2      THR  51  10.988  26.357  21.771
  379    H    LYS  52           H        LYS  52  12.567  22.005  22.650
  380    HA   LYS  52           HA       LYS  52  11.747  19.353  21.865
  381   1HB   LYS  52          2HB       LYS  52  13.331  19.839  23.730
  382   2HB   LYS  52          3HB       LYS  52  11.977  20.443  24.707
  383   1HG   LYS  52          2HG       LYS  52  10.900  18.273  24.688
  384   2HG   LYS  52          3HG       LYS  52  11.985  17.677  23.424
  385   1HD   LYS  52          2HD       LYS  52  13.907  17.875  25.036
  386   2HD   LYS  52          3HD       LYS  52  12.729  18.285  26.311
  387   1HE   LYS  52          2HE       LYS  52  11.520  16.155  25.855
  388   2HE   LYS  52          3HE       LYS  52  12.668  15.771  24.568
  389   1HZ   LYS  52          1HZ       LYS  52  13.237  14.617  26.569
  390   2HZ   LYS  52          2HZ       LYS  52  14.428  15.695  26.258
  391   3HZ   LYS  52          3HZ       LYS  52  13.344  15.998  27.451
  392    H    GLU  53           H        GLU  53  10.007  21.939  23.540
  393    HA   GLU  53           HA       GLU  53   7.547  20.572  24.006
  394   1HB   GLU  53          2HB       GLU  53   8.005  23.504  23.312
  395   2HB   GLU  53          3HB       GLU  53   6.504  22.835  23.943
  396   1HG   GLU  53          2HG       GLU  53   9.186  22.849  25.399
  397   2HG   GLU  53          3HG       GLU  53   7.858  23.962  25.677
  398    H    MET  54           H        MET  54   8.554  22.430  21.100
  399    HA   MET  54           HA       MET  54   6.307  21.865  19.444
  400   1HB   MET  54          2HB       MET  54   9.217  22.374  18.771
  401   2HB   MET  54          3HB       MET  54   7.970  22.126  17.549
  402   1HG   MET  54          2HG       MET  54   6.727  24.055  18.301
  403   2HG   MET  54          3HG       MET  54   7.774  24.255  19.701
  404   1HE   MET  54          1HE       MET  54   7.412  24.634  15.813
  405   2HE   MET  54          2HE       MET  54   9.025  25.198  15.324
  406   3HE   MET  54          3HE       MET  54   8.803  23.524  15.869
  407    H    LEU  55           H        LEU  55   9.421  20.069  19.619
  408    HA   LEU  55           HA       LEU  55   8.766  18.039  17.793
  409   1HB   LEU  55          2HB       LEU  55  11.007  18.709  18.849
  410   2HB   LEU  55          3HB       LEU  55  10.603  17.631  20.180
  411    HG   LEU  55           HG       LEU  55  10.876  16.880  17.227
  412   1HD1  LEU  55          1HD1      LEU  55  12.981  17.490  18.357
  413   2HD1  LEU  55          2HD1      LEU  55  12.669  16.270  19.610
  414   3HD1  LEU  55          3HD1      LEU  55  12.941  15.775  17.925
  415   1HD2  LEU  55          1HD2      LEU  55  10.392  15.091  19.648
  416   2HD2  LEU  55          2HD2      LEU  55   9.383  15.238  18.189
  417   3HD2  LEU  55          3HD2      LEU  55  10.970  14.511  18.066
  418    H    VAL  56           H        VAL  56   8.588  17.741  21.379
  419    HA   VAL  56           HA       VAL  56   7.545  15.104  21.415
  420    HB   VAL  56           HB       VAL  56   7.234  17.307  23.500
  421   1HG1  VAL  56          1HG1      VAL  56   5.630  15.468  23.954
  422   2HG1  VAL  56          2HG1      VAL  56   6.939  14.275  23.788
  423   3HG1  VAL  56          3HG1      VAL  56   6.955  15.443  25.120
  424   1HG2  VAL  56          1HG2      VAL  56   9.159  16.195  24.587
  425   2HG2  VAL  56          2HG2      VAL  56   9.256  15.036  23.242
  426   3HG2  VAL  56          3HG2      VAL  56   9.614  16.733  22.969
  427    H    THR  57           H        THR  57   5.749  18.213  21.510
  428    HA   THR  57           HA       THR  57   3.119  17.040  21.644
  429    HB   THR  57           HB       THR  57   3.889  19.747  20.462
  430    HG1  THR  57           1HG      THR  57   4.589  19.847  22.458
  431   1HG2  THR  57          1HG2      THR  57   1.278  18.722  21.667
  432   2HG2  THR  57          2HG2      THR  57   1.611  20.406  21.210
  433   3HG2  THR  57          3HG2      THR  57   1.553  19.156  19.962
  434    H    SER  58           H        SER  58   4.983  18.267  18.799
  435    HA   SER  58           HA       SER  58   2.996  17.489  16.887
  436   1HB   SER  58          2HB       SER  58   4.655  17.828  15.177
  437   2HB   SER  58          3HB       SER  58   4.632  19.163  16.332
  438    HG   SER  58           HG       SER  58   6.478  18.411  17.269
  439    H    CYS  59           H        CYS  59   5.711  15.656  18.250
  440    HA   CYS  59           HA       CYS  59   5.477  13.286  16.714
  441   1HB   CYS  59          2HB       CYS  59   7.332  13.747  18.203
  442   2HB   CYS  59          3HB       CYS  59   6.293  13.789  19.603
  443    H    VAL  60           H        VAL  60   3.771  14.058  19.798
  444    HA   VAL  60           HA       VAL  60   2.090  11.744  19.851
  445    HB   VAL  60           HB       VAL  60   1.745  14.537  20.970
  446   1HG1  VAL  60          1HG1      VAL  60  -0.045  13.617  22.429
  447   2HG1  VAL  60          2HG1      VAL  60  -0.528  13.750  20.744
  448   3HG1  VAL  60          3HG1      VAL  60  -0.092  12.159  21.418
  449   1HG2  VAL  60          1HG2      VAL  60   2.279  11.847  22.290
  450   2HG2  VAL  60          2HG2      VAL  60   3.522  13.075  21.942
  451   3HG2  VAL  60          3HG2      VAL  60   2.236  13.436  23.094
  452    H    ASN  61           H        ASN  61   1.567  14.865  18.228
  453    HA   ASN  61           HA       ASN  61  -1.027  14.205  17.106
  454   1HB   ASN  61          2HB       ASN  61   1.062  16.312  16.461
  455   2HB   ASN  61          3HB       ASN  61  -0.387  16.102  15.487
  456   1HD2  ASN  61          2HD2      ASN  61   0.711  16.888  18.827
  457   2HD2  ASN  61          1HD2      ASN  61  -0.809  17.691  19.222
  458    H    ALA  62           H        ALA  62   2.292  13.882  15.722
  459    HA   ALA  62           HA       ALA  62   1.490  12.850  13.189
  460   1HB   ALA  62          1HB       ALA  62   4.049  12.405  14.792
  461   2HB   ALA  62          2HB       ALA  62   3.830  12.099  13.057
  462   3HB   ALA  62          3HB       ALA  62   3.729  13.755  13.681
  463    H    THR  63           H        THR  63   2.333  11.213  16.238
  464    HA   THR  63           HA       THR  63   2.068   8.533  15.412
  465    HB   THR  63           HB       THR  63   1.343   9.587  18.172
  466    HG1  THR  63           1HG      THR  63   3.396  10.247  17.646
  467   1HG2  THR  63          1HG2      THR  63   0.751   7.202  17.822
  468   2HG2  THR  63          2HG2      THR  63   2.386   6.882  17.199
  469   3HG2  THR  63          3HG2      THR  63   2.154   7.349  18.892
  470    H    GLN  64           H        GLN  64  -0.519  10.652  16.803
  471    HA   GLN  64           HA       GLN  64  -2.705   8.929  16.560
  472   1HB   GLN  64          2HB       GLN  64  -2.519  11.936  16.225
  473   2HB   GLN  64          3HB       GLN  64  -4.050  11.066  16.142
  474   1HG   GLN  64          2HG       GLN  64  -3.855  10.286  18.401
  475   2HG   GLN  64          3HG       GLN  64  -2.178  10.836  18.502
  476   1HE2  GLN  64          2HE2      GLN  64  -1.718  12.956  18.995
  477   2HE2  GLN  64          1HE2      GLN  64  -2.977  14.143  19.384
  478    H    ALA  65           H        ALA  65  -1.709  11.355  14.104
  479    HA   ALA  65           HA       ALA  65  -3.455  10.659  12.074
  480   1HB   ALA  65          1HB       ALA  65  -0.644  11.810  11.853
  481   2HB   ALA  65          2HB       ALA  65  -1.913  11.908  10.614
  482   3HB   ALA  65          3HB       ALA  65  -2.134  12.726  12.173
  483    H    ALA  66           H        ALA  66  -0.170   9.346  12.576
  484    HA   ALA  66           HA       ALA  66  -0.088   7.711  10.238
  485   1HB   ALA  66          1HB       ALA  66   1.870   6.679  11.389
  486   2HB   ALA  66          2HB       ALA  66   1.908   8.452  11.389
  487   3HB   ALA  66          3HB       ALA  66   1.440   7.577  12.863
  488    H    ASN  67           H        ASN  67  -1.339   6.987  13.499
  489    HA   ASN  67           HA       ASN  67  -1.883   4.165  12.629
  490   1HB   ASN  67          2HB       ASN  67  -1.198   5.004  15.462
  491   2HB   ASN  67          3HB       ASN  67  -1.247   3.384  14.795
  492   1HD2  ASN  67          2HD2      ASN  67   0.601   6.288  15.146
  493   2HD2  ASN  67          1HD2      ASN  67   2.138   5.648  14.597
  494    H    GLN  68           H        GLN  68  -3.753   6.172  12.250
  495    HA   GLN  68           HA       GLN  68  -5.668   6.580  14.255
  496   1HB   GLN  68          2HB       GLN  68  -6.079   6.328  11.252
  497   2HB   GLN  68          3HB       GLN  68  -7.349   6.852  12.351
  498   1HG   GLN  68          2HG       GLN  68  -4.691   8.298  12.087
  499   2HG   GLN  68          3HG       GLN  68  -6.111   8.671  11.127
  500   1HE2  GLN  68          2HE2      GLN  68  -6.155  10.869  11.990
  501   2HE2  GLN  68          1HE2      GLN  68  -6.744  11.116  13.630
  502    H    ALA  69           H        ALA  69  -5.649   3.873  11.938
  503    HA   ALA  69           HA       ALA  69  -8.038   2.596  12.675
  504   1HB   ALA  69          1HB       ALA  69  -5.423   1.362  11.704
  505   2HB   ALA  69          2HB       ALA  69  -7.021   0.589  11.662
  506   3HB   ALA  69          3HB       ALA  69  -6.715   2.035  10.683
  507    H    GLU  70           H        GLU  70  -4.796   2.080  14.083
  508    HA   GLU  70           HA       GLU  70  -5.395   0.006  15.934
  509   1HB   GLU  70          2HB       GLU  70  -3.357   2.261  16.114
  510   2HB   GLU  70          3HB       GLU  70  -3.398   0.882  17.195
  511   1HG   GLU  70          2HG       GLU  70  -3.129   0.518  14.182
  512   2HG   GLU  70          3HG       GLU  70  -1.749   0.864  15.205
  513    H    PHE  71           H        PHE  71  -5.275   3.542  16.564
  514    HA   PHE  71           HA       PHE  71  -6.340   3.415  19.210
  515   1HB   PHE  71          2HB       PHE  71  -6.497   5.712  17.224
  516   2HB   PHE  71          3HB       PHE  71  -6.738   5.824  18.965
  517    HD1  PHE  71           HD1      PHE  71  -4.430   6.606  16.525
  518    HD2  PHE  71           HD2      PHE  71  -4.641   4.561  20.328
  519    HE1  PHE  71           HE1      PHE  71  -1.991   6.840  16.802
  520    HE2  PHE  71           HE2      PHE  71  -2.199   4.864  20.611
  521    HZ   PHE  71           HZ       PHE  71  -0.869   5.973  18.834
  522    H    SER  72           H        SER  72  -8.012   4.154  16.150
  523    HA   SER  72           HA       SER  72 -10.599   4.626  17.052
  524   1HB   SER  72          2HB       SER  72  -9.850   4.996  14.748
  525   2HB   SER  72          3HB       SER  72  -9.722   3.249  14.486
  526    HG   SER  72           HG       SER  72 -12.075   4.790  14.970
  527    H    ARG  73           H        ARG  73  -9.386   1.429  15.958
  528    HA   ARG  73           HA       ARG  73 -11.775  -0.044  16.589
  529   1HB   ARG  73          2HB       ARG  73  -8.875  -0.938  16.278
  530   2HB   ARG  73          3HB       ARG  73 -10.228  -2.053  16.446
  531   1HG   ARG  73          2HG       ARG  73  -9.966  -0.017  14.185
  532   2HG   ARG  73          3HG       ARG  73  -9.472  -1.707  14.089
  533   1HD   ARG  73          2HD       ARG  73 -11.794  -2.430  14.547
  534   2HD   ARG  73          3HD       ARG  73 -12.323  -0.751  14.623
  535    HE   ARG  73           HE       ARG  73 -11.676  -2.315  12.228
  536   1HH1  ARG  73          1HH2      ARG  73 -12.129   0.983  13.354
  537   2HH1  ARG  73          2HH2      ARG  73 -12.482   1.558  11.748
  538   1HH2  ARG  73          1HH1      ARG  73 -12.122  -1.508  10.237
  539   2HH2  ARG  73          2HH1      ARG  73 -12.470   0.187  10.038
  540    H    GLU  74           H        GLU  74  -8.790   0.322  18.487
  541    HA   GLU  74           HA       GLU  74  -9.639  -1.315  20.687
  542   1HB   GLU  74          2HB       GLU  74  -7.548   0.876  20.424
  543   2HB   GLU  74          3HB       GLU  74  -7.803   0.004  21.926
  544   1HG   GLU  74          2HG       GLU  74  -7.082  -1.320  19.276
  545   2HG   GLU  74          3HG       GLU  74  -5.944  -0.922  20.562
  546    H    LYS  75           H        LYS  75  -9.574   2.238  20.500
  547    HA   LYS  75           HA       LYS  75 -10.347   2.963  23.022
  548   1HB   LYS  75          2HB       LYS  75  -9.565   4.471  21.277
  549   2HB   LYS  75          3HB       LYS  75 -11.087   4.305  20.395
  550   1HG   LYS  75          2HG       LYS  75 -12.298   5.448  22.196
  551   2HG   LYS  75          3HG       LYS  75 -10.831   5.490  23.196
  552   1HD   LYS  75          2HD       LYS  75  -9.716   6.919  21.503
  553   2HD   LYS  75          3HD       LYS  75 -11.170   6.851  20.483
  554   1HE   LYS  75          2HE       LYS  75 -12.490   7.907  22.312
  555   2HE   LYS  75          3HE       LYS  75 -11.035   7.990  23.314
  556   1HZ   LYS  75          1HZ       LYS  75 -11.390   9.377  20.706
  557   2HZ   LYS  75          2HZ       LYS  75 -11.443  10.093  22.171
  558   3HZ   LYS  75          3HZ       LYS  75 -10.043   9.454  21.630
  559    H    GLN  76           H        GLN  76 -12.642   1.834  20.635
  560    HA   GLN  76           HA       GLN  76 -15.086   2.694  21.786
  561   1HB   GLN  76          2HB       GLN  76 -14.698  -0.008  20.450
  562   2HB   GLN  76          3HB       GLN  76 -16.176   0.940  20.575
  563   1HG   GLN  76          2HG       GLN  76 -13.755   1.442  18.837
  564   2HG   GLN  76          3HG       GLN  76 -15.409   1.146  18.334
  565   1HE2  GLN  76          2HE2      GLN  76 -13.213   3.527  18.314
  566   2HE2  GLN  76          1HE2      GLN  76 -14.275   4.925  18.554
  567    H    ASP  77           H        ASP  77 -13.164  -0.163  22.580
  568    HA   ASP  77           HA       ASP  77 -14.923  -0.772  24.946
  569   1HB   ASP  77          2HB       ASP  77 -15.316  -2.286  23.038
  570   2HB   ASP  77          3HB       ASP  77 -13.604  -2.708  23.012
  571    H    SER  78           H        SER  78 -11.643  -0.880  23.638
  572    HA   SER  78           HA       SER  78 -10.341  -2.013  25.969
  573   1HB   SER  78          2HB       SER  78  -9.802  -1.964  23.323
  574   2HB   SER  78          3HB       SER  78  -8.849  -0.571  23.792
  575    HG   SER  78           HG       SER  78  -7.774  -2.615  23.828
  576    H    LYS  79           H        LYS  79 -11.550  -0.228  27.197
  577    HA   LYS  79           HA       LYS  79 -10.875   2.481  27.089
  578   1HB   LYS  79          2HB       LYS  79 -12.744   0.981  28.430
  579   2HB   LYS  79          3HB       LYS  79 -11.694   1.381  29.767
  580   1HG   LYS  79          2HG       LYS  79 -13.498   2.983  29.609
  581   2HG   LYS  79          3HG       LYS  79 -11.971   3.793  29.288
  582   1HD   LYS  79          2HD       LYS  79 -13.803   4.560  27.806
  583   2HD   LYS  79          3HD       LYS  79 -12.468   3.881  26.883
  584   1HE   LYS  79          2HE       LYS  79 -13.736   1.714  26.709
  585   2HE   LYS  79          3HE       LYS  79 -15.088   2.471  27.566
  586   1HZ   LYS  79          1HZ       LYS  79 -13.978   3.354  24.947
  587   2HZ   LYS  79          2HZ       LYS  79 -15.382   2.554  25.153
  588   3HZ   LYS  79          3HZ       LYS  79 -15.232   4.083  25.726
  589    H    LEU  80           H        LEU  80  -9.549   0.171  29.424
  590    HA   LEU  80           HA       LEU  80  -7.658   1.945  30.635
  591   1HB   LEU  80          2HB       LEU  80  -8.361  -0.165  31.668
  592   2HB   LEU  80          3HB       LEU  80  -7.614  -1.087  30.363
  593    HG   LEU  80           HG       LEU  80  -5.369  -0.320  31.060
  594   1HD1  LEU  80          1HD1      LEU  80  -6.832   1.104  33.330
  595   2HD1  LEU  80          2HD1      LEU  80  -5.075   0.848  33.238
  596   3HD1  LEU  80          3HD1      LEU  80  -5.870   1.878  32.048
  597   1HD2  LEU  80          1HD2      LEU  80  -6.296  -2.372  32.045
  598   2HD2  LEU  80          2HD2      LEU  80  -5.256  -1.526  33.203
  599   3HD2  LEU  80          3HD2      LEU  80  -7.022  -1.429  33.365
  600    H    HIS  81           H        HIS  81  -7.309  -0.250  27.823
  601    HA   HIS  81           HA       HIS  81  -4.571  -0.139  27.425
  602   1HB   HIS  81          2HB       HIS  81  -6.238  -1.512  26.154
  603   2HB   HIS  81          3HB       HIS  81  -6.602  -0.105  25.177
  604    HD1  HIS  81           HD1      HIS  81  -5.666  -2.096  23.278
  605    HD2  HIS  81           HD2      HIS  81  -2.880  -0.120  25.790
  606    HE1  HIS  81           HE1      HIS  81  -3.342  -2.479  22.266
  607    HE2  HIS  81           HE2      HIS  81  -1.652  -1.275  23.809
  608    H    GLN  82           H        GLN  82  -6.934   2.224  26.139
  609    HA   GLN  82           HA       GLN  82  -5.156   3.933  24.768
  610   1HB   GLN  82          2HB       GLN  82  -7.658   4.689  26.332
  611   2HB   GLN  82          3HB       GLN  82  -6.803   5.757  25.215
  612   1HG   GLN  82          2HG       GLN  82  -8.167   3.136  24.477
  613   2HG   GLN  82          3HG       GLN  82  -8.756   4.761  24.146
  614   1HE2  GLN  82          2HE2      GLN  82  -7.174   2.185  22.701
  615   2HE2  GLN  82          1HE2      GLN  82  -6.347   3.101  21.450
  616    H    ARG  83           H        ARG  83  -6.012   4.168  28.247
  617    HA   ARG  83           HA       ARG  83  -4.462   6.527  28.823
  618   1HB   ARG  83          2HB       ARG  83  -5.368   4.233  30.632
  619   2HB   ARG  83          3HB       ARG  83  -4.449   5.618  31.201
  620   1HG   ARG  83          2HG       ARG  83  -6.652   6.158  31.708
  621   2HG   ARG  83          3HG       ARG  83  -6.259   7.137  30.293
  622   1HD   ARG  83          2HD       ARG  83  -7.464   5.469  28.865
  623   2HD   ARG  83          3HD       ARG  83  -7.882   4.550  30.326
  624    HE   ARG  83           HE       ARG  83  -8.825   7.079  30.876
  625   1HH1  ARG  83          1HH2      ARG  83  -9.470   4.861  28.257
  626   2HH1  ARG  83          2HH2      ARG  83 -10.883   5.762  27.733
  627   1HH2  ARG  83          1HH1      ARG  83 -10.708   8.059  30.284
  628   2HH2  ARG  83          2HH1      ARG  83 -11.622   7.451  28.934
  629    H    VAL  84           H        VAL  84  -3.627   3.139  29.233
  630    HA   VAL  84           HA       VAL  84  -0.905   3.444  30.058
  631    HB   VAL  84           HB       VAL  84  -2.114   1.111  28.517
  632   1HG1  VAL  84          1HG1      VAL  84   0.431   1.117  28.823
  633   2HG1  VAL  84          2HG1      VAL  84   0.132   1.092  30.566
  634   3HG1  VAL  84          3HG1      VAL  84  -0.435  -0.248  29.576
  635   1HG2  VAL  84          1HG2      VAL  84  -2.483   0.122  30.790
  636   2HG2  VAL  84          2HG2      VAL  84  -2.036   1.689  31.507
  637   3HG2  VAL  84          3HG2      VAL  84  -3.489   1.537  30.512
  638    H    LEU  85           H        LEU  85  -2.211   2.766  26.801
  639    HA   LEU  85           HA       LEU  85   0.196   2.812  25.354
  640   1HB   LEU  85          2HB       LEU  85  -1.949   1.875  24.612
  641   2HB   LEU  85          3HB       LEU  85  -2.640   3.492  24.497
  642    HG   LEU  85           HG       LEU  85  -1.134   4.038  22.640
  643   1HD1  LEU  85          1HD1      LEU  85   0.835   2.644  23.181
  644   2HD1  LEU  85          2HD1      LEU  85  -0.129   1.166  22.909
  645   3HD1  LEU  85          3HD1      LEU  85   0.231   2.272  21.565
  646   1HD2  LEU  85          1HD2      LEU  85  -2.563   1.354  22.320
  647   2HD2  LEU  85          2HD2      LEU  85  -3.313   2.960  22.192
  648   3HD2  LEU  85          3HD2      LEU  85  -2.107   2.447  20.997
  649    H    TRP  86           H        TRP  86  -2.055   5.582  25.909
  650    HA   TRP  86           HA       TRP  86  -0.422   7.471  24.505
  651   1HB   TRP  86          2HB       TRP  86  -2.646   7.768  26.529
  652   2HB   TRP  86          3HB       TRP  86  -1.777   9.166  25.886
  653    HD1  TRP  86           HD1      TRP  86  -4.726   7.184  25.053
  654    HE1  TRP  86           HE1      TRP  86  -5.291   7.160  22.555
  655    HE3  TRP  86           HE3      TRP  86  -0.561   9.582  23.306
  656    HZ2  TRP  86           HZ2      TRP  86  -3.953   7.892  20.074
  657    HZ3  TRP  86           HZ3      TRP  86  -0.198   9.877  20.870
  658    HH2  TRP  86           HH2      TRP  86  -1.818   8.875  19.252
  659    H    ARG  87           H        ARG  87  -0.438   6.611  27.956
  660    HA   ARG  87           HA       ARG  87   1.601   8.475  28.805
  661   1HB   ARG  87          2HB       ARG  87   0.318   7.350  30.452
  662   2HB   ARG  87          3HB       ARG  87   0.666   5.774  29.775
  663   1HG   ARG  87          2HG       ARG  87   1.813   6.066  31.857
  664   2HG   ARG  87          3HG       ARG  87   2.991   5.879  30.562
  665   1HD   ARG  87          2HD       ARG  87   3.559   8.220  30.649
  666   2HD   ARG  87          3HD       ARG  87   2.174   8.578  31.705
  667    HE   ARG  87           HE       ARG  87   3.542   6.714  33.180
  668   1HH1  ARG  87          1HH1      ARG  87   4.716   9.707  31.783
  669   2HH1  ARG  87          2HH1      ARG  87   5.848   9.938  33.084
  670   1HH2  ARG  87          1HH2      ARG  87   4.843   7.103  34.779
  671   2HH2  ARG  87          2HH2      ARG  87   5.931   8.484  34.772
  672    H    LEU  88           H        LEU  88   1.929   5.142  27.565
  673    HA   LEU  88           HA       LEU  88   4.773   5.086  27.413
  674   1HB   LEU  88          2HB       LEU  88   3.513   3.059  27.225
  675   2HB   LEU  88          3HB       LEU  88   2.625   3.650  25.826
  676    HG   LEU  88           HG       LEU  88   4.687   3.594  24.474
  677   1HD1  LEU  88          1HD1      LEU  88   6.702   2.496  25.277
  678   2HD1  LEU  88          2HD1      LEU  88   6.397   3.914  26.281
  679   3HD1  LEU  88          3HD1      LEU  88   5.989   2.287  26.889
  680   1HD2  LEU  88          1HD2      LEU  88   3.279   1.683  24.451
  681   2HD2  LEU  88          2HD2      LEU  88   4.946   1.097  24.523
  682   3HD2  LEU  88          3HD2      LEU  88   3.950   1.071  25.990
  683    H    ILE  89           H        ILE  89   2.478   5.930  24.754
  684    HA   ILE  89           HA       ILE  89   4.379   6.674  22.810
  685    HB   ILE  89           HB       ILE  89   1.565   7.678  23.315
  686   1HG1  ILE  89          2HG1      ILE  89   2.662   5.950  21.048
  687   2HG1  ILE  89          3HG1      ILE  89   2.070   5.258  22.546
  688   1HG2  ILE  89          1HG2      ILE  89   3.440   8.404  21.018
  689   2HG2  ILE  89          2HG2      ILE  89   1.692   8.642  20.965
  690   3HG2  ILE  89          3HG2      ILE  89   2.644   9.513  22.150
  691   1HD1  ILE  89          1HD1      ILE  89   0.429   6.886  20.565
  692   2HD1  ILE  89          2HD1      ILE  89   0.316   5.155  20.906
  693   3HD1  ILE  89          3HD1      ILE  89  -0.160   6.330  22.149
  694    H    LYS  90           H        LYS  90   2.937   8.802  25.321
  695    HA   LYS  90           HA       LYS  90   4.477  11.110  24.628
  696   1HB   LYS  90          2HB       LYS  90   2.416  11.064  26.076
  697   2HB   LYS  90          3HB       LYS  90   3.399  10.370  27.381
  698   1HG   LYS  90          2HG       LYS  90   4.827  12.394  27.387
  699   2HG   LYS  90          3HG       LYS  90   3.902  13.058  26.025
  700   1HD   LYS  90          2HD       LYS  90   1.854  13.100  27.444
  701   2HD   LYS  90          3HD       LYS  90   2.764  12.373  28.772
  702   1HE   LYS  90          2HE       LYS  90   2.614  14.705  29.237
  703   2HE   LYS  90          3HE       LYS  90   4.288  14.358  28.798
  704   1HZ   LYS  90          1HZ       LYS  90   3.817  15.255  26.578
  705   2HZ   LYS  90          2HZ       LYS  90   2.252  15.538  26.973
  706   3HZ   LYS  90          3HZ       LYS  90   3.446  16.370  27.708
  707    H    GLU  91           H        GLU  91   5.259   8.552  27.062
  708    HA   GLU  91           HA       GLU  91   7.797   9.646  27.793
  709   1HB   GLU  91          2HB       GLU  91   6.755   6.795  27.739
  710   2HB   GLU  91          3HB       GLU  91   8.375   7.198  28.295
  711   1HG   GLU  91          2HG       GLU  91   5.819   8.349  29.493
  712   2HG   GLU  91          3HG       GLU  91   6.706   6.976  30.139
  713    H    ILE  92           H        ILE  92   7.020   7.414  25.090
  714    HA   ILE  92           HA       ILE  92   9.677   7.241  24.027
  715    HB   ILE  92           HB       ILE  92   7.004   7.015  22.594
  716   1HG1  ILE  92          2HG1      ILE  92   8.985   4.853  23.412
  717   2HG1  ILE  92          3HG1      ILE  92   7.601   5.290  24.396
  718   1HG2  ILE  92          1HG2      ILE  92   9.851   6.435  21.630
  719   2HG2  ILE  92          2HG2      ILE  92   8.391   5.905  20.786
  720   3HG2  ILE  92          3HG2      ILE  92   8.712   7.617  20.940
  721   1HD1  ILE  92          1HD1      ILE  92   6.063   4.693  22.518
  722   2HD1  ILE  92          2HD1      ILE  92   7.466   4.098  21.597
  723   3HD1  ILE  92          3HD1      ILE  92   7.027   3.328  23.117
  724    H    CYS  93           H        CYS  93   7.025   9.504  23.075
  725    HA   CYS  93           HA       CYS  93   8.567  11.055  21.262
  726   1HB   CYS  93          2HB       CYS  93   6.148  11.730  22.947
  727   2HB   CYS  93          3HB       CYS  93   6.865  12.867  21.812
  728    H    SER  94           H        SER  94   8.129  11.536  24.782
  729    HA   SER  94           HA       SER  94   9.731  13.854  25.118
  730   1HB   SER  94          2HB       SER  94   9.283  11.579  27.075
  731   2HB   SER  94          3HB       SER  94   9.924  13.184  27.465
  732    HG   SER  94           HG       SER  94   7.352  12.511  26.475
  733    H    ALA  95           H        ALA  95  10.828  10.556  24.575
  734    HA   ALA  95           HA       ALA  95  13.503  10.945  25.621
  735   1HB   ALA  95          1HB       ALA  95  12.515   8.847  23.651
  736   2HB   ALA  95          2HB       ALA  95  13.963   8.776  24.665
  737   3HB   ALA  95          3HB       ALA  95  12.360   8.733  25.421
  738    H    LYS  96           H        LYS  96  12.044  11.868  22.605
  739    HA   LYS  96           HA       LYS  96  14.288  11.743  20.811
  740   1HB   LYS  96          2HB       LYS  96  11.751  13.411  20.882
  741   2HB   LYS  96          3HB       LYS  96  12.976  13.694  19.668
  742   1HG   LYS  96          2HG       LYS  96  11.104  12.280  18.896
  743   2HG   LYS  96          3HG       LYS  96  12.714  11.585  18.656
  744   1HD   LYS  96          2HD       LYS  96  12.368  10.028  20.512
  745   2HD   LYS  96          3HD       LYS  96  10.868  10.849  20.944
  746   1HE   LYS  96          2HE       LYS  96  10.348   8.779  19.830
  747   2HE   LYS  96          3HE       LYS  96   9.814  10.137  18.840
  748   1HZ   LYS  96          1HZ       LYS  96  11.793   9.819  17.451
  749   2HZ   LYS  96          2HZ       LYS  96  12.328   8.600  18.405
  750   3HZ   LYS  96          3HZ       LYS  96  10.958   8.412  17.534
  751    H    HIS  97           H        HIS  97  16.020  12.934  20.551
  752    HA   HIS  97           HA       HIS  97  16.204  15.717  21.543
  753   1HB   HIS  97          2HB       HIS  97  17.087  14.147  23.299
  754   2HB   HIS  97          3HB       HIS  97  18.342  13.644  22.194
  755    HD1  HIS  97           HD1      HIS  97  19.524  16.482  21.190
  756    HD2  HIS  97           HD2      HIS  97  18.271  15.404  25.088
  757    HE1  HIS  97           HE1      HIS  97  20.763  18.021  22.791
  758    HE2  HIS  97           HE2      HIS  97  19.999  17.406  25.175
  759    H    CYS  98           H        CYS  98  16.694  16.913  19.839
  760    HA   CYS  98           HA       CYS  98  17.926  15.861  17.440
  761   1HB   CYS  98          2HB       CYS  98  17.541  18.756  18.288
  762   2HB   CYS  98          3HB       CYS  98  17.851  18.164  16.660
  763    H    ASP  99           H        ASP  99  19.962  16.295  16.558
  764    HA   ASP  99           HA       ASP  99  22.219  16.350  18.324
  765   1HB   ASP  99          2HB       ASP  99  22.183  15.253  16.113
  766   2HB   ASP  99          3HB       ASP  99  22.030  16.822  15.321
  767    H    PHE 100           H        PHE 100  20.750  18.857  16.292
  768    HA   PHE 100           HA       PHE 100  22.751  20.867  16.712
  769   1HB   PHE 100          2HB       PHE 100  21.074  22.353  15.597
  770   2HB   PHE 100          3HB       PHE 100  21.526  20.911  14.716
  771    HD1  PHE 100           HD1      PHE 100  18.841  22.140  17.069
  772    HD2  PHE 100           HD2      PHE 100  19.842  19.609  13.726
  773    HE1  PHE 100           HE1      PHE 100  16.441  21.556  16.783
  774    HE2  PHE 100           HE2      PHE 100  17.458  19.050  13.434
  775    HZ   PHE 100           HZ       PHE 100  15.738  20.020  14.995
  776    H    TRP 101           H        TRP 101  20.191  19.952  18.860
  777    HA   TRP 101           HA       TRP 101  19.565  22.507  20.008
  778   1HB   TRP 101          2HB       TRP 101  19.481  19.691  21.137
  779   2HB   TRP 101          3HB       TRP 101  19.011  21.096  22.075
  780    HD1  TRP 101           HD1      TRP 101  17.549  22.235  19.119
  781    HE1  TRP 101           HE1      TRP 101  15.092  21.540  18.873
  782    HE3  TRP 101           HE3      TRP 101  17.391  18.485  22.606
  783    HZ2  TRP 101           HZ2      TRP 101  13.376  19.452  19.821
  784    HZ3  TRP 101           HZ3      TRP 101  15.287  17.200  22.957
  785    HH2  TRP 101           HH2      TRP 101  13.313  17.614  21.523
  786    H    LEU 102           H        LEU 102  20.328  23.692  21.584
  787    HA   LEU 102           HA       LEU 102  22.890  23.112  22.914
  788   1HB   LEU 102          2HB       LEU 102  24.017  24.969  22.007
  789   2HB   LEU 102          3HB       LEU 102  23.420  24.050  20.643
  790    HG   LEU 102           HG       LEU 102  22.031  26.561  21.703
  791   1HD1  LEU 102          1HD1      LEU 102  24.059  26.296  19.450
  792   2HD1  LEU 102          2HD1      LEU 102  23.164  27.770  19.887
  793   3HD1  LEU 102          3HD1      LEU 102  24.337  27.084  21.020
  794   1HD2  LEU 102          1HD2      LEU 102  21.834  25.153  19.007
  795   2HD2  LEU 102          2HD2      LEU 102  20.552  25.256  20.236
  796   3HD2  LEU 102          3HD2      LEU 102  21.092  26.712  19.410
  797    H    GLU 103           H        GLU 103  23.553  25.031  24.292
  798    HA   GLU 103           HA       GLU 103  21.285  26.603  25.409
  799   1HB   GLU 103          2HB       GLU 103  23.256  24.952  27.047
  800   2HB   GLU 103          3HB       GLU 103  22.157  26.173  27.701
  801   1HG   GLU 103          2HG       GLU 103  20.213  24.868  26.811
  802   2HG   GLU 103          3HG       GLU 103  21.328  23.599  26.295
  803    H    ARG 104           H        ARG 104  21.870  28.541  26.369
  804    HA   ARG 104           HA       ARG 104  24.639  29.546  26.216
  805   1HB   ARG 104          2HB       ARG 104  23.989  31.484  24.774
  806   2HB   ARG 104          3HB       ARG 104  23.979  29.933  23.978
  807   1HG   ARG 104          2HG       ARG 104  22.133  31.187  23.166
  808   2HG   ARG 104          3HG       ARG 104  21.511  29.830  24.084
  809   1HD   ARG 104          2HD       ARG 104  20.173  31.800  24.513
  810   2HD   ARG 104          3HD       ARG 104  20.998  31.345  25.984
  811    HE   ARG 104           HE       ARG 104  22.435  33.266  25.806
  812   1HH1  ARG 104          1HH2      ARG 104  20.135  33.312  23.151
  813   2HH1  ARG 104          2HH2      ARG 104  20.452  34.999  22.839
  814   1HH2  ARG 104          1HH1      ARG 104  22.784  35.286  25.360
  815   2HH2  ARG 104          2HH1      ARG 104  21.931  36.111  24.064
  816    H    GLY 105           H        GLY 105  24.665  31.937  26.817
  817   1HA   GLY 105          2HA       GLY 105  22.722  32.644  28.979
  818   2HA   GLY 105          3HA       GLY 105  24.453  32.590  29.332
  819    H    ALA 106           H        ALA 106  24.215  34.846  29.914
  820    HA   ALA 106           HA       ALA 106  24.692  36.679  27.660
  821   1HB   ALA 106          1HB       ALA 106  23.029  38.317  28.484
  822   2HB   ALA 106          2HB       ALA 106  22.242  36.803  28.007
  823   3HB   ALA 106          3HB       ALA 106  22.497  37.166  29.729
  824    H    ALA 107           H        ALA 107  25.606  38.707  28.321
  825    HA   ALA 107           HA       ALA 107  26.695  39.009  31.049
  826   1HB   ALA 107          1HB       ALA 107  28.381  37.633  29.876
  827   2HB   ALA 107          2HB       ALA 107  28.457  38.829  28.561
  828   3HB   ALA 107          3HB       ALA 107  29.001  39.264  30.195
  Start of MODEL    6
    1   1H    ARG   1          H1        ARG   1  11.227   1.500   3.986
    2   2H    ARG   1          H2        ARG   1   9.969   1.690   5.017
    3   3H    ARG   1          H3        ARG   1  10.109   0.316   4.141
    4    HA   ARG   1           HA       ARG   1   8.396   1.694   3.199
    5   1HB   ARG   1          2HB       ARG   1   9.363   3.832   4.054
    6   2HB   ARG   1          3HB       ARG   1  10.617   3.753   2.809
    7   1HG   ARG   1          2HG       ARG   1   8.887   3.909   1.041
    8   2HG   ARG   1          3HG       ARG   1   7.608   3.877   2.275
    9   1HD   ARG   1          2HD       ARG   1   8.499   5.974   3.247
   10   2HD   ARG   1          3HD       ARG   1   9.770   6.011   2.008
   11    HE   ARG   1           HE       ARG   1   7.307   5.852   0.638
   12   1HH1  ARG   1          1HH2      ARG   1   8.868   8.202   2.705
   13   2HH1  ARG   1          2HH2      ARG   1   8.020   9.538   1.966
   14   1HH2  ARG   1          1HH1      ARG   1   6.269   7.576  -0.251
   15   2HH2  ARG   1          2HH1      ARG   1   6.593   9.183   0.339
   16    H    VAL   2           H        VAL   2   7.929   0.879   1.255
   17    HA   VAL   2           HA       VAL   2   9.912  -0.555  -0.301
   18    HB   VAL   2           HB       VAL   2   6.999   0.073  -0.939
   19   1HG1  VAL   2          1HG1      VAL   2   8.910  -1.997  -2.122
   20   2HG1  VAL   2          2HG1      VAL   2   7.160  -1.925  -2.423
   21   3HG1  VAL   2          3HG1      VAL   2   8.193  -0.610  -2.974
   22   1HG2  VAL   2          1HG2      VAL   2   8.289  -2.383   0.340
   23   2HG2  VAL   2          2HG2      VAL   2   7.200  -1.234   1.149
   24   3HG2  VAL   2          3HG2      VAL   2   6.587  -2.249  -0.155
   25    H    ALA   3           H        ALA   3  11.220   0.233  -1.804
   26    HA   ALA   3           HA       ALA   3  11.033   2.920  -2.894
   27   1HB   ALA   3          1HB       ALA   3  12.832   0.559  -3.613
   28   2HB   ALA   3          2HB       ALA   3  13.076   2.243  -4.114
   29   3HB   ALA   3          3HB       ALA   3  13.190   1.811  -2.396
   30    H    GLU   4           H        GLU   4  11.017   3.419  -5.199
   31    HA   GLU   4           HA       GLU   4   8.979   2.046  -6.779
   32   1HB   GLU   4          2HB       GLU   4  11.007   4.216  -7.478
   33   2HB   GLU   4          3HB       GLU   4   9.765   3.625  -8.578
   34   1HG   GLU   4          2HG       GLU   4   9.240   4.993  -5.900
   35   2HG   GLU   4          3HG       GLU   4   9.158   5.761  -7.478
   36    H    ASN   5           H        ASN   5   9.277   0.289  -8.019
   37    HA   ASN   5           HA       ASN   5  11.927  -0.870  -8.455
   38   1HB   ASN   5          2HB       ASN   5   9.141  -1.721  -9.358
   39   2HB   ASN   5          3HB       ASN   5  10.607  -2.669  -9.593
   40   1HD2  ASN   5          2HD2      ASN   5  11.838  -3.343  -7.584
   41   2HD2  ASN   5          1HD2      ASN   5  10.859  -3.633  -6.153
   42    H    ARG   6           H        ARG   6  12.420   1.309  -9.543
   43    HA   ARG   6           HA       ARG   6  11.980   1.322 -12.478
   44   1HB   ARG   6          2HB       ARG   6  13.430   3.302 -12.498
   45   2HB   ARG   6          3HB       ARG   6  12.039   3.487 -11.447
   46   1HG   ARG   6          2HG       ARG   6  13.282   3.519  -9.512
   47   2HG   ARG   6          3HG       ARG   6  14.584   2.519 -10.157
   48   1HD   ARG   6          2HD       ARG   6  14.067   5.356 -11.113
   49   2HD   ARG   6          3HD       ARG   6  15.152   4.968  -9.771
   50    HE   ARG   6           HE       ARG   6  16.042   3.311 -11.827
   51   1HH1  ARG   6          1HH1      ARG   6  15.737   6.794 -11.627
   52   2HH1  ARG   6          2HH1      ARG   6  16.987   7.031 -12.821
   53   1HH2  ARG   6          1HH2      ARG   6  17.561   3.647 -13.219
   54   2HH2  ARG   6          2HH2      ARG   6  18.015   5.268 -13.728
   55    HA   PRO   7           HA       PRO   7  15.609  -0.963 -13.765
   56   1HB   PRO   7          2HB       PRO   7  16.266   1.500 -15.401
   57   2HB   PRO   7          3HB       PRO   7  16.311  -0.223 -15.892
   58   1HG   PRO   7          2HG       PRO   7  14.219   1.303 -16.614
   59   2HG   PRO   7          3HG       PRO   7  13.935  -0.352 -15.979
   60   1HD   PRO   7          2HD       PRO   7  13.696   2.287 -14.526
   61   2HD   PRO   7          3HD       PRO   7  12.593   0.876 -14.502
   62    H    GLY   8           H        GLY   8  17.305  -1.267 -12.482
   63   1HA   GLY   8          2HA       GLY   8  19.533  -0.615 -11.696
   64   2HA   GLY   8          3HA       GLY   8  18.907   0.997 -11.374
   65    H    ALA   9           H        ALA   9  16.316  -0.678 -10.337
   66    HA   ALA   9           HA       ALA   9  16.916  -0.212  -7.602
   67   1HB   ALA   9          1HB       ALA   9  14.650  -0.142  -8.502
   68   2HB   ALA   9          2HB       ALA   9  14.712  -1.879  -8.885
   69   3HB   ALA   9          3HB       ALA   9  14.743  -1.335  -7.194
   70    H    PHE  10           H        PHE  10  17.791  -1.402  -6.001
   71    HA   PHE  10           HA       PHE  10  19.102  -3.920  -6.432
   72   1HB   PHE  10          2HB       PHE  10  18.159  -2.612  -3.852
   73   2HB   PHE  10          3HB       PHE  10  19.237  -3.967  -3.934
   74    HD1  PHE  10           HD1      PHE  10  21.157  -3.060  -6.135
   75    HD2  PHE  10           HD2      PHE  10  19.454  -0.997  -2.743
   76    HE1  PHE  10           HE1      PHE  10  23.197  -1.682  -5.936
   77    HE2  PHE  10           HE2      PHE  10  21.507   0.366  -2.549
   78    HZ   PHE  10           HZ       PHE  10  23.391   0.009  -4.115
   79    H    ILE  11           H        ILE  11  18.630  -5.984  -5.784
   80    HA   ILE  11           HA       ILE  11  15.915  -6.611  -4.688
   81    HB   ILE  11           HB       ILE  11  17.577  -8.354  -6.540
   82   1HG1  ILE  11          2HG1      ILE  11  14.879  -7.021  -7.064
   83   2HG1  ILE  11          3HG1      ILE  11  16.412  -6.393  -7.658
   84   1HG2  ILE  11          1HG2      ILE  11  15.639  -9.899  -6.402
   85   2HG2  ILE  11          2HG2      ILE  11  16.335  -9.640  -4.811
   86   3HG2  ILE  11          3HG2      ILE  11  14.837  -8.798  -5.260
   87   1HD1  ILE  11          1HD1      ILE  11  15.188  -9.059  -8.446
   88   2HD1  ILE  11          2HD1      ILE  11  15.337  -7.608  -9.442
   89   3HD1  ILE  11          3HD1      ILE  11  16.798  -8.482  -8.943
   90    H    LYS  12           H        LYS  12  16.415  -6.568  -2.631
   91    HA   LYS  12           HA       LYS  12  18.911  -7.807  -1.551
   92   1HB   LYS  12          2HB       LYS  12  16.820  -6.054  -0.197
   93   2HB   LYS  12          3HB       LYS  12  18.266  -6.728   0.571
   94   1HG   LYS  12          2HG       LYS  12  19.660  -5.529  -1.168
   95   2HG   LYS  12          3HG       LYS  12  18.188  -4.723  -1.724
   96   1HD   LYS  12          2HD       LYS  12  17.902  -3.849   0.650
   97   2HD   LYS  12          3HD       LYS  12  19.471  -4.589   1.040
   98   1HE   LYS  12          2HE       LYS  12  20.438  -3.222  -0.920
   99   2HE   LYS  12          3HE       LYS  12  18.892  -2.359  -0.954
  100   1HZ   LYS  12          1HZ       LYS  12  19.334  -1.840   1.455
  101   2HZ   LYS  12          2HZ       LYS  12  20.850  -2.454   1.266
  102   3HZ   LYS  12          3HZ       LYS  12  20.365  -1.118   0.424
  103    H    GLN  13           H        GLN  13  18.525  -9.939  -1.772
  104    HA   GLN  13           HA       GLN  13  16.247 -11.289  -0.473
  105   1HB   GLN  13          2HB       GLN  13  18.796 -12.406  -1.726
  106   2HB   GLN  13          3HB       GLN  13  17.473 -13.363  -1.072
  107   1HG   GLN  13          2HG       GLN  13  15.974 -11.915  -2.719
  108   2HG   GLN  13          3HG       GLN  13  17.499 -11.654  -3.564
  109   1HE2  GLN  13          2HE2      GLN  13  18.709 -13.755  -4.283
  110   2HE2  GLN  13          1HE2      GLN  13  17.659 -15.127  -4.640
  111    H    GLY  14           H        GLY  14  19.360 -10.110   0.465
  112   1HA   GLY  14          2HA       GLY  14  20.519 -10.138   2.473
  113   2HA   GLY  14          3HA       GLY  14  19.050 -10.778   3.227
  114    H    ARG  15           H        ARG  15  21.341 -11.902   0.782
  115    HA   ARG  15           HA       ARG  15  21.690 -14.566   2.105
  116   1HB   ARG  15          2HB       ARG  15  19.931 -14.463   0.281
  117   2HB   ARG  15          3HB       ARG  15  21.161 -13.990  -0.851
  118   1HG   ARG  15          2HG       ARG  15  21.534 -16.545   0.753
  119   2HG   ARG  15          3HG       ARG  15  20.375 -16.526  -0.570
  120   1HD   ARG  15          2HD       ARG  15  23.320 -15.827  -0.886
  121   2HD   ARG  15          3HD       ARG  15  22.606 -17.394  -1.239
  122    HE   ARG  15           HE       ARG  15  22.029 -14.813  -2.678
  123   1HH1  ARG  15          2HH2      ARG  15  22.043 -18.319  -2.904
  124   2HH1  ARG  15          1HH2      ARG  15  21.472 -18.267  -4.552
  125   1HH2  ARG  15          2HH1      ARG  15  21.166 -14.832  -4.607
  126   2HH2  ARG  15          1HH1      ARG  15  21.037 -16.323  -5.526
  127    H    LYS  16           H        LYS  16  23.738 -15.223   2.236
  128    HA   LYS  16           HA       LYS  16  25.914 -13.507   1.364
  129   1HB   LYS  16          2HB       LYS  16  25.817 -14.832   3.527
  130   2HB   LYS  16          3HB       LYS  16  26.118 -16.291   2.578
  131   1HG   LYS  16          2HG       LYS  16  28.192 -15.158   1.679
  132   2HG   LYS  16          3HG       LYS  16  27.916 -13.824   2.797
  133   1HD   LYS  16          2HD       LYS  16  28.215 -15.283   4.709
  134   2HD   LYS  16          3HD       LYS  16  28.248 -16.728   3.689
  135   1HE   LYS  16          2HE       LYS  16  30.293 -14.466   3.534
  136   2HE   LYS  16          3HE       LYS  16  30.512 -15.940   4.484
  137   1HZ   LYS  16          1HZ       LYS  16  30.353 -17.227   2.423
  138   2HZ   LYS  16          2HZ       LYS  16  30.162 -15.871   1.527
  139   3HZ   LYS  16          3HZ       LYS  16  31.567 -16.146   2.315
  140    H    LEU  17           H        LEU  17  26.506 -13.422  -0.660
  141    HA   LEU  17           HA       LEU  17  26.579 -15.633  -2.572
  142   1HB   LEU  17          2HB       LEU  17  27.739 -12.812  -2.583
  143   2HB   LEU  17          3HB       LEU  17  27.772 -13.880  -3.974
  144    HG   LEU  17           HG       LEU  17  25.180 -12.951  -2.661
  145   1HD1  LEU  17          1HD1      LEU  17  26.592 -11.909  -5.150
  146   2HD1  LEU  17          2HD1      LEU  17  25.000 -11.401  -4.542
  147   3HD1  LEU  17          3HD1      LEU  17  26.456 -11.062  -3.593
  148   1HD2  LEU  17          1HD2      LEU  17  24.902 -15.023  -3.954
  149   2HD2  LEU  17          2HD2      LEU  17  24.202 -13.668  -4.840
  150   3HD2  LEU  17          3HD2      LEU  17  25.781 -14.314  -5.332
  151    H    ASP  18           H        ASP  18  28.729 -15.831  -3.841
  152    HA   ASP  18           HA       ASP  18  31.104 -16.090  -2.043
  153   1HB   ASP  18          2HB       ASP  18  30.151 -18.303  -2.381
  154   2HB   ASP  18          3HB       ASP  18  30.149 -18.074  -4.131
  155    H    ILE  19           H        ILE  19  31.970 -14.207  -2.667
  156    HA   ILE  19           HA       ILE  19  33.084 -13.923  -5.422
  157    HB   ILE  19           HB       ILE  19  31.730 -11.782  -3.732
  158   1HG1  ILE  19          2HG1      ILE  19  31.107 -12.538  -6.617
  159   2HG1  ILE  19          3HG1      ILE  19  30.287 -13.287  -5.251
  160   1HG2  ILE  19          1HG2      ILE  19  33.363 -11.445  -6.295
  161   2HG2  ILE  19          2HG2      ILE  19  32.394 -10.169  -5.541
  162   3HG2  ILE  19          3HG2      ILE  19  33.782 -10.812  -4.684
  163   1HD1  ILE  19          1HD1      ILE  19  29.456 -11.116  -4.472
  164   2HD1  ILE  19          2HD1      ILE  19  30.206 -10.316  -5.874
  165   3HD1  ILE  19          3HD1      ILE  19  28.917 -11.501  -6.118
  166    H    ASP  20           H        ASP  20  35.255 -13.650  -5.332
  167    HA   ASP  20           HA       ASP  20  36.570 -13.114  -2.723
  168   1HB   ASP  20          2HB       ASP  20  37.440 -14.937  -4.101
  169   2HB   ASP  20          3HB       ASP  20  37.769 -13.809  -5.421
  170    H    PHE  21           H        PHE  21  35.889 -11.047  -2.407
  171    HA   PHE  21           HA       PHE  21  36.425  -8.722  -4.045
  172   1HB   PHE  21          2HB       PHE  21  36.129  -8.979  -1.022
  173   2HB   PHE  21          3HB       PHE  21  35.987  -7.507  -1.957
  174    HD1  PHE  21           HD1      PHE  21  34.038  -7.185  -3.501
  175    HD2  PHE  21           HD2      PHE  21  34.247 -10.483  -0.753
  176    HE1  PHE  21           HE1      PHE  21  31.600  -7.583  -3.792
  177    HE2  PHE  21           HE2      PHE  21  31.808 -10.842  -0.992
  178    HZ   PHE  21           HZ       PHE  21  30.472  -9.385  -2.500
  179    H    GLY  22           H        GLY  22  38.099 -10.438  -1.528
  180   1HA   GLY  22          2HA       GLY  22  40.716 -10.362  -1.637
  181   2HA   GLY  22          3HA       GLY  22  40.469  -8.611  -1.458
  182    H    ALA  23           H        ALA  23  41.820 -10.313   0.480
  183    HA   ALA  23           HA       ALA  23  40.484 -11.582   2.428
  184   1HB   ALA  23          1HB       ALA  23  42.913 -11.402   2.312
  185   2HB   ALA  23          2HB       ALA  23  42.845  -9.715   2.872
  186   3HB   ALA  23          3HB       ALA  23  42.342 -11.035   3.950
  187    H    GLU  24           H        GLU  24  41.058  -8.069   2.807
  188    HA   GLU  24           HA       GLU  24  39.509  -7.795   5.223
  189   1HB   GLU  24          2HB       GLU  24  41.316  -6.264   4.447
  190   2HB   GLU  24          3HB       GLU  24  40.240  -5.657   3.181
  191   1HG   GLU  24          2HG       GLU  24  38.690  -4.790   4.870
  192   2HG   GLU  24          3HG       GLU  24  39.605  -5.566   6.164
  193    H    GLY  25           H        GLY  25  38.648  -7.294   1.815
  194   1HA   GLY  25          2HA       GLY  25  35.980  -6.277   2.237
  195   2HA   GLY  25          3HA       GLY  25  36.625  -6.935   0.734
  196    H    ASN  26           H        ASN  26  37.231  -9.530   1.590
  197    HA   ASN  26           HA       ASN  26  34.807 -11.012   1.432
  198   1HB   ASN  26          2HB       ASN  26  37.552 -11.832   2.502
  199   2HB   ASN  26          3HB       ASN  26  36.233 -12.945   2.141
  200   1HD2  ASN  26          2HD2      ASN  26  38.696 -13.356   0.950
  201   2HD2  ASN  26          1HD2      ASN  26  38.532 -12.983  -0.768
  202    H    ARG  27           H        ARG  27  36.841 -10.178   4.215
  203    HA   ARG  27           HA       ARG  27  35.234 -11.429   6.290
  204   1HB   ARG  27          2HB       ARG  27  37.293  -9.186   6.344
  205   2HB   ARG  27          3HB       ARG  27  36.516  -9.821   7.797
  206   1HG   ARG  27          2HG       ARG  27  37.462 -12.009   7.484
  207   2HG   ARG  27          3HG       ARG  27  38.048 -11.609   5.863
  208   1HD   ARG  27          2HD       ARG  27  39.535  -9.870   6.832
  209   2HD   ARG  27          3HD       ARG  27  38.996 -10.333   8.460
  210    HE   ARG  27           HE       ARG  27  39.918 -12.692   7.224
  211   1HH1  ARG  27          1HH1      ARG  27  41.389  -9.671   8.208
  212   2HH1  ARG  27          2HH1      ARG  27  42.964 -10.400   8.394
  213   1HH2  ARG  27          1HH2      ARG  27  41.931 -13.556   7.492
  214   2HH2  ARG  27          2HH2      ARG  27  43.251 -12.541   8.004
  215    H    TYR  28           H        TYR  28  35.321  -8.095   5.002
  216    HA   TYR  28           HA       TYR  28  33.335  -7.004   6.713
  217   1HB   TYR  28          2HB       TYR  28  34.883  -5.686   5.296
  218   2HB   TYR  28          3HB       TYR  28  34.034  -6.220   3.858
  219    HD1  TYR  28           HD1      TYR  28  33.564  -4.374   7.091
  220    HD2  TYR  28           HD2      TYR  28  32.028  -5.169   3.140
  221    HE1  TYR  28           HE1      TYR  28  31.772  -2.664   7.438
  222    HE2  TYR  28           HE2      TYR  28  30.238  -3.472   3.503
  223    HH   TYR  28           HH       TYR  28  29.417  -1.895   4.864
  224    H    TYR  29           H        TYR  29  32.963  -8.335   3.395
  225    HA   TYR  29           HA       TYR  29  30.151  -8.150   3.214
  226   1HB   TYR  29          2HB       TYR  29  31.644  -8.615   1.305
  227   2HB   TYR  29          3HB       TYR  29  32.011 -10.204   1.959
  228    HD1  TYR  29           HD1      TYR  29  30.632 -12.049   1.381
  229    HD2  TYR  29           HD2      TYR  29  29.123  -8.034   0.894
  230    HE1  TYR  29           HE1      TYR  29  28.562 -12.945   0.324
  231    HE2  TYR  29           HE2      TYR  29  27.039  -8.934  -0.106
  232    HH   TYR  29           HH       TYR  29  25.860 -10.809  -0.665
  233    H    ALA  30           H        ALA  30  32.065 -11.045   4.234
  234    HA   ALA  30           HA       ALA  30  29.957 -12.747   4.887
  235   1HB   ALA  30          1HB       ALA  30  32.331 -13.398   4.820
  236   2HB   ALA  30          2HB       ALA  30  32.644 -12.456   6.295
  237   3HB   ALA  30          3HB       ALA  30  31.583 -13.879   6.356
  238    H    ALA  31           H        ALA  31  31.240 -10.127   6.925
  239    HA   ALA  31           HA       ALA  31  29.462 -10.733   9.170
  240   1HB   ALA  31          1HB       ALA  31  30.526  -8.723  10.143
  241   2HB   ALA  31          2HB       ALA  31  31.722  -9.878   9.524
  242   3HB   ALA  31          3HB       ALA  31  31.347  -8.412   8.597
  243    H    ASN  32           H        ASN  32  29.127  -8.738   6.295
  244    HA   ASN  32           HA       ASN  32  26.777  -7.318   7.511
  245   1HB   ASN  32          2HB       ASN  32  28.963  -6.158   5.756
  246   2HB   ASN  32          3HB       ASN  32  27.529  -5.302   6.302
  247   1HD2  ASN  32          2HD2      ASN  32  30.663  -6.431   7.218
  248   2HD2  ASN  32          1HD2      ASN  32  30.674  -5.641   8.805
  249    H    TYR  33           H        TYR  33  27.260  -9.508   5.114
  250    HA   TYR  33           HA       TYR  33  26.280  -8.545   2.779
  251   1HB   TYR  33          2HB       TYR  33  25.584 -10.760   2.169
  252   2HB   TYR  33          3HB       TYR  33  27.129 -10.766   2.985
  253    HD1  TYR  33           HD1      TYR  33  23.504 -11.581   3.358
  254    HD2  TYR  33           HD2      TYR  33  27.470 -12.021   4.992
  255    HE1  TYR  33           HE1      TYR  33  22.670 -13.343   4.903
  256    HE2  TYR  33           HE2      TYR  33  26.648 -13.814   6.505
  257    HH   TYR  33           HH       TYR  33  23.205 -14.829   6.559
  258    H    TRP  34           H        TRP  34  24.231  -9.021   5.554
  259    HA   TRP  34           HA       TRP  34  21.641  -9.002   4.425
  260   1HB   TRP  34          2HB       TRP  34  20.914  -8.134   6.573
  261   2HB   TRP  34          3HB       TRP  34  22.073  -9.436   6.768
  262    HD1  TRP  34           HD1      TRP  34  24.463  -8.830   7.797
  263    HE1  TRP  34           HE1      TRP  34  25.332  -6.817   9.158
  264    HE3  TRP  34           HE3      TRP  34  20.577  -5.568   7.039
  265    HZ2  TRP  34           HZ2      TRP  34  24.515  -4.136   9.739
  266    HZ3  TRP  34           HZ3      TRP  34  20.621  -3.306   8.076
  267    HH2  TRP  34           HH2      TRP  34  22.582  -2.575   9.415
  268    H    GLN  35           H        GLN  35  23.872  -6.263   4.831
  269    HA   GLN  35           HA       GLN  35  21.958  -4.175   4.184
  270   1HB   GLN  35          2HB       GLN  35  24.993  -4.137   3.854
  271   2HB   GLN  35          3HB       GLN  35  23.908  -2.749   3.866
  272   1HG   GLN  35          2HG       GLN  35  23.254  -3.328   6.217
  273   2HG   GLN  35          3HG       GLN  35  24.502  -4.583   6.217
  274   1HE2  GLN  35          1HE2      GLN  35  26.744  -3.576   5.243
  275   2HE2  GLN  35          2HE2      GLN  35  27.196  -2.083   6.058
  276    H    PHE  36           H        PHE  36  24.048  -6.220   2.263
  277    HA   PHE  36           HA       PHE  36  24.190  -4.561  -0.096
  278   1HB   PHE  36          2HB       PHE  36  24.990  -7.434   0.528
  279   2HB   PHE  36          3HB       PHE  36  25.304  -6.674  -0.997
  280    HD1  PHE  36           HD1      PHE  36  26.054  -6.344   2.659
  281    HD2  PHE  36           HD2      PHE  36  27.267  -5.399  -1.361
  282    HE1  PHE  36           HE1      PHE  36  28.305  -5.721   3.490
  283    HE2  PHE  36           HE2      PHE  36  29.507  -4.782  -0.526
  284    HZ   PHE  36           HZ       PHE  36  30.057  -4.990   1.869
  285    HA   PRO  37           HA       PRO  37  20.887  -6.496  -2.551
  286   1HB   PRO  37          2HB       PRO  37  21.712  -6.045  -5.066
  287   2HB   PRO  37          3HB       PRO  37  21.309  -4.699  -3.976
  288   1HG   PRO  37          2HG       PRO  37  24.086  -5.793  -4.522
  289   2HG   PRO  37          3HG       PRO  37  23.529  -4.097  -4.664
  290   1HD   PRO  37          2HD       PRO  37  24.716  -5.029  -2.401
  291   2HD   PRO  37          3HD       PRO  37  23.383  -3.841  -2.324
  292    H    ASP  38           H        ASP  38  20.493  -8.452  -3.563
  293    HA   ASP  38           HA       ASP  38  22.772 -10.380  -3.881
  294   1HB   ASP  38          2HB       ASP  38  21.107 -11.004  -2.180
  295   2HB   ASP  38          3HB       ASP  38  19.825 -10.933  -3.383
  296    H    GLY  39           H        GLY  39  19.955  -8.949  -5.406
  297   1HA   GLY  39          2HA       GLY  39  21.052  -9.586  -8.107
  298   2HA   GLY  39          3HA       GLY  39  19.322  -9.781  -7.780
  299    H    ILE  40           H        ILE  40  19.954  -8.081  -9.751
  300    HA   ILE  40           HA       ILE  40  19.100  -5.452  -8.654
  301    HB   ILE  40           HB       ILE  40  21.288  -5.741 -10.752
  302   1HG1  ILE  40          2HG1      ILE  40  21.410  -4.440  -7.987
  303   2HG1  ILE  40          3HG1      ILE  40  22.042  -6.039  -8.349
  304   1HG2  ILE  40          1HG2      ILE  40  19.733  -3.876 -11.287
  305   2HG2  ILE  40          2HG2      ILE  40  19.906  -3.250  -9.635
  306   3HG2  ILE  40          3HG2      ILE  40  21.278  -3.245 -10.760
  307   1HD1  ILE  40          1HD1      ILE  40  23.583  -5.028 -10.055
  308   2HD1  ILE  40          2HD1      ILE  40  23.092  -3.428  -9.449
  309   3HD1  ILE  40          3HD1      ILE  40  23.888  -4.577  -8.367
  310    H    TYR  41           H        TYR  41  17.309  -4.838  -9.584
  311    HA   TYR  41           HA       TYR  41  16.164  -6.173 -11.927
  312   1HB   TYR  41          2HB       TYR  41  14.713  -5.453 -10.078
  313   2HB   TYR  41          3HB       TYR  41  15.273  -3.801 -10.245
  314    HD1  TYR  41           HD1      TYR  41  13.984  -2.322 -11.494
  315    HD2  TYR  41           HD2      TYR  41  13.787  -6.532 -12.383
  316    HE1  TYR  41           HE1      TYR  41  12.345  -1.851 -13.308
  317    HE2  TYR  41           HE2      TYR  41  12.177  -6.063 -14.239
  318    HH   TYR  41           HH       TYR  41  11.032  -4.452 -15.398
  319    H    TYR  42           H        TYR  42  17.352  -5.747 -13.736
  320    HA   TYR  42           HA       TYR  42  17.143  -3.091 -14.894
  321   1HB   TYR  42          2HB       TYR  42  19.229  -2.856 -13.544
  322   2HB   TYR  42          3HB       TYR  42  19.918  -4.247 -14.372
  323    HD1  TYR  42           HD1      TYR  42  21.297  -3.812 -16.255
  324    HD2  TYR  42           HD2      TYR  42  18.301  -0.943 -15.109
  325    HE1  TYR  42           HE1      TYR  42  22.092  -2.253 -18.039
  326    HE2  TYR  42           HE2      TYR  42  19.001   0.549 -16.978
  327    HH   TYR  42           HH       TYR  42  20.434   0.840 -18.721
  328    H    GLU  43           H        GLU  43  17.136  -3.107 -17.048
  329    HA   GLU  43           HA       GLU  43  17.776  -5.582 -18.600
  330   1HB   GLU  43          2HB       GLU  43  15.305  -3.833 -18.923
  331   2HB   GLU  43          3HB       GLU  43  15.776  -5.190 -19.959
  332   1HG   GLU  43          2HG       GLU  43  15.591  -6.721 -17.986
  333   2HG   GLU  43          3HG       GLU  43  15.099  -5.358 -16.997
  334    H    GLY  44           H        GLY  44  19.678  -4.699 -19.171
  335   1HA   GLY  44          2HA       GLY  44  19.941  -1.954 -20.189
  336   2HA   GLY  44          3HA       GLY  44  21.236  -3.089 -19.859
  337    H    CYS  45           H        CYS  45  18.544  -3.649 -22.127
  338    HA   CYS  45           HA       CYS  45  20.216  -2.812 -24.380
  339   1HB   CYS  45          2HB       CYS  45  19.968  -4.889 -25.618
  340   2HB   CYS  45          3HB       CYS  45  20.934  -5.089 -24.171
  341    H    SER  46           H        SER  46  19.109  -1.801 -25.838
  342    HA   SER  46           HA       SER  46  16.212  -2.331 -26.333
  343   1HB   SER  46          2HB       SER  46  15.854   0.112 -26.437
  344   2HB   SER  46          3HB       SER  46  16.361  -0.436 -24.832
  345    HG   SER  46           HG       SER  46  17.506   1.443 -25.509
  346    H    GLU  47           H        GLU  47  19.245  -2.181 -27.738
  347    HA   GLU  47           HA       GLU  47  18.207  -1.697 -30.486
  348   1HB   GLU  47          2HB       GLU  47  20.638  -0.410 -29.160
  349   2HB   GLU  47          3HB       GLU  47  20.384  -0.422 -30.895
  350   1HG   GLU  47          2HG       GLU  47  18.509   0.850 -28.867
  351   2HG   GLU  47          3HG       GLU  47  19.758   1.700 -29.763
  352    H    ALA  48           H        ALA  48  19.068  -3.076 -31.961
  353    HA   ALA  48           HA       ALA  48  20.500  -5.377 -31.315
  354   1HB   ALA  48          1HB       ALA  48  20.311  -3.941 -33.995
  355   2HB   ALA  48          2HB       ALA  48  20.762  -5.642 -33.755
  356   3HB   ALA  48          3HB       ALA  48  19.129  -5.096 -33.333
  357    H    ASN  49           H        ASN  49  21.757  -2.231 -32.134
  358    HA   ASN  49           HA       ASN  49  24.502  -2.930 -32.696
  359   1HB   ASN  49          2HB       ASN  49  23.196  -0.300 -31.854
  360   2HB   ASN  49          3HB       ASN  49  24.862  -0.467 -32.403
  361   1HD2  ASN  49          2HD2      ASN  49  21.767   0.301 -33.503
  362   2HD2  ASN  49          1HD2      ASN  49  22.073  -0.044 -35.200
  363    H    VAL  50           H        VAL  50  22.821  -2.619 -29.651
  364    HA   VAL  50           HA       VAL  50  24.911  -1.569 -28.040
  365    HB   VAL  50           HB       VAL  50  22.415  -1.829 -27.547
  366   1HG1  VAL  50          1HG1      VAL  50  23.203  -4.401 -26.146
  367   2HG1  VAL  50          2HG1      VAL  50  21.599  -3.674 -26.382
  368   3HG1  VAL  50          3HG1      VAL  50  22.443  -4.396 -27.755
  369   1HG2  VAL  50          1HG2      VAL  50  23.993  -0.828 -25.977
  370   2HG2  VAL  50          2HG2      VAL  50  22.723  -1.738 -25.153
  371   3HG2  VAL  50          3HG2      VAL  50  24.349  -2.432 -25.286
  372    H    THR  51           H        THR  51  26.379  -2.510 -26.561
  373    HA   THR  51           HA       THR  51  27.267  -5.300 -27.201
  374    HB   THR  51           HB       THR  51  29.526  -4.608 -26.768
  375    HG1  THR  51           1HG      THR  51  29.934  -2.361 -26.390
  376   1HG2  THR  51          1HG2      THR  51  28.281  -2.501 -28.580
  377   2HG2  THR  51          2HG2      THR  51  29.976  -3.028 -28.553
  378   3HG2  THR  51          3HG2      THR  51  28.714  -4.161 -29.057
  379    H    LYS  52           H        LYS  52  28.627  -6.287 -25.453
  380    HA   LYS  52           HA       LYS  52  27.371  -6.319 -22.867
  381   1HB   LYS  52          2HB       LYS  52  28.689  -8.207 -23.796
  382   2HB   LYS  52          3HB       LYS  52  30.164  -7.231 -23.705
  383   1HG   LYS  52          2HG       LYS  52  29.913  -7.100 -21.227
  384   2HG   LYS  52          3HG       LYS  52  28.436  -8.080 -21.330
  385   1HD   LYS  52          2HD       LYS  52  29.738  -9.962 -22.260
  386   2HD   LYS  52          3HD       LYS  52  31.209  -8.963 -22.258
  387   1HE   LYS  52          2HE       LYS  52  31.010  -8.709 -19.781
  388   2HE   LYS  52          3HE       LYS  52  29.593  -9.767 -19.796
  389   1HZ   LYS  52          1HZ       LYS  52  32.334 -10.551 -20.654
  390   2HZ   LYS  52          2HZ       LYS  52  31.617 -11.009 -19.264
  391   3HZ   LYS  52          3HZ       LYS  52  31.035 -11.540 -20.696
  392    H    GLU  53           H        GLU  53  30.356  -4.714 -23.950
  393    HA   GLU  53           HA       GLU  53  31.087  -3.456 -21.518
  394   1HB   GLU  53          2HB       GLU  53  31.398  -2.430 -24.370
  395   2HB   GLU  53          3HB       GLU  53  32.183  -1.735 -22.946
  396   1HG   GLU  53          2HG       GLU  53  33.291  -3.930 -22.502
  397   2HG   GLU  53          3HG       GLU  53  32.576  -4.577 -23.980
  398    H    MET  54           H        MET  54  28.886  -2.193 -24.057
  399    HA   MET  54           HA       MET  54  28.027   0.156 -22.665
  400   1HB   MET  54          2HB       MET  54  26.633  -1.577 -24.734
  401   2HB   MET  54          3HB       MET  54  25.959  -0.078 -24.090
  402   1HG   MET  54          2HG       MET  54  27.896   1.189 -24.913
  403   2HG   MET  54          3HG       MET  54  28.645  -0.293 -25.495
  404   1HE   MET  54          1HE       MET  54  24.968   1.821 -27.352
  405   2HE   MET  54          2HE       MET  54  24.965   1.218 -25.681
  406   3HE   MET  54          3HE       MET  54  26.066   2.531 -26.148
  407    H    LEU  55           H        LEU  55  26.425  -3.092 -22.765
  408    HA   LEU  55           HA       LEU  55  24.295  -2.476 -21.048
  409   1HB   LEU  55          2HB       LEU  55  24.451  -4.435 -22.487
  410   2HB   LEU  55          3HB       LEU  55  25.674  -5.167 -21.454
  411    HG   LEU  55           HG       LEU  55  23.022  -4.363 -20.235
  412   1HD1  LEU  55          1HD1      LEU  55  22.436  -5.594 -22.324
  413   2HD1  LEU  55          2HD1      LEU  55  23.413  -6.963 -21.760
  414   3HD1  LEU  55          3HD1      LEU  55  21.973  -6.460 -20.853
  415   1HD2  LEU  55          1HD2      LEU  55  24.879  -6.738 -19.761
  416   2HD2  LEU  55          2HD2      LEU  55  24.714  -5.318 -18.710
  417   3HD2  LEU  55          3HD2      LEU  55  23.360  -6.424 -18.902
  418    H    VAL  56           H        VAL  56  27.412  -3.942 -20.069
  419    HA   VAL  56           HA       VAL  56  26.829  -4.100 -17.269
  420    HB   VAL  56           HB       VAL  56  29.551  -3.930 -18.623
  421   1HG1  VAL  56          1HG1      VAL  56  30.368  -5.119 -16.604
  422   2HG1  VAL  56          2HG1      VAL  56  29.712  -3.538 -16.165
  423   3HG1  VAL  56          3HG1      VAL  56  28.762  -5.015 -15.871
  424   1HG2  VAL  56          1HG2      VAL  56  28.203  -5.868 -19.443
  425   2HG2  VAL  56          2HG2      VAL  56  29.529  -6.408 -18.415
  426   3HG2  VAL  56          3HG2      VAL  56  27.866  -6.330 -17.788
  427    H    THR  57           H        THR  57  28.595  -1.564 -19.096
  428    HA   THR  57           HA       THR  57  29.086   0.186 -16.873
  429    HB   THR  57           HB       THR  57  28.686   0.935 -19.804
  430    HG1  THR  57           1HG      THR  57  30.327  -0.419 -19.791
  431   1HG2  THR  57          1HG2      THR  57  30.215   2.821 -19.250
  432   2HG2  THR  57          2HG2      THR  57  28.680   2.937 -18.384
  433   3HG2  THR  57          3HG2      THR  57  30.139   2.368 -17.533
  434    H    SER  58           H        SER  58  26.377   0.113 -19.212
  435    HA   SER  58           HA       SER  58  24.906   2.308 -18.133
  436   1HB   SER  58          2HB       SER  58  23.808  -0.100 -19.616
  437   2HB   SER  58          3HB       SER  58  23.000   1.459 -19.351
  438    HG   SER  58           HG       SER  58  25.321   0.925 -20.880
  439    H    CYS  59           H        CYS  59  24.809  -1.171 -17.313
  440    HA   CYS  59           HA       CYS  59  22.730  -1.069 -15.380
  441   1HB   CYS  59          2HB       CYS  59  23.599  -3.141 -16.312
  442   2HB   CYS  59          3HB       CYS  59  25.190  -2.840 -15.661
  443    H    VAL  60           H        VAL  60  26.260  -0.657 -14.816
  444    HA   VAL  60           HA       VAL  60  26.079   0.006 -12.038
  445    HB   VAL  60           HB       VAL  60  28.064   0.840 -14.171
  446   1HG1  VAL  60          1HG1      VAL  60  28.196   2.579 -12.465
  447   2HG1  VAL  60          2HG1      VAL  60  28.254   1.349 -11.182
  448   3HG1  VAL  60          3HG1      VAL  60  29.588   1.506 -12.341
  449   1HG2  VAL  60          1HG2      VAL  60  28.254  -1.095 -11.827
  450   2HG2  VAL  60          2HG2      VAL  60  27.994  -1.573 -13.524
  451   3HG2  VAL  60          3HG2      VAL  60  29.508  -0.793 -13.053
  452    H    ASN  61           H        ASN  61  25.930   2.188 -14.865
  453    HA   ASN  61           HA       ASN  61  25.436   4.612 -13.427
  454   1HB   ASN  61          2HB       ASN  61  24.908   3.716 -16.281
  455   2HB   ASN  61          3HB       ASN  61  24.348   5.278 -15.700
  456   1HD2  ASN  61          2HD2      ASN  61  27.323   3.334 -16.203
  457   2HD2  ASN  61          1HD2      ASN  61  28.360   4.762 -16.230
  458    H    ALA  62           H        ALA  62  23.032   2.251 -14.734
  459    HA   ALA  62           HA       ALA  62  20.709   3.702 -13.911
  460   1HB   ALA  62          1HB       ALA  62  20.690   1.903 -15.584
  461   2HB   ALA  62          2HB       ALA  62  21.146   0.713 -14.344
  462   3HB   ALA  62          3HB       ALA  62  19.576   1.540 -14.251
  463    H    THR  63           H        THR  63  22.571   1.114 -12.319
  464    HA   THR  63           HA       THR  63  21.084   0.892  -9.920
  465    HB   THR  63           HB       THR  63  24.096   0.533 -10.167
  466    HG1  THR  63           1HG      THR  63  23.107  -0.729 -11.685
  467   1HG2  THR  63          1HG2      THR  63  23.755  -1.139  -8.387
  468   2HG2  THR  63          2HG2      THR  63  23.248   0.464  -7.832
  469   3HG2  THR  63          3HG2      THR  63  22.029  -0.737  -8.315
  470    H    GLN  64           H        GLN  64  23.951   2.988 -10.565
  471    HA   GLN  64           HA       GLN  64  24.061   4.444  -8.198
  472   1HB   GLN  64          2HB       GLN  64  24.625   5.238 -11.066
  473   2HB   GLN  64          3HB       GLN  64  24.862   6.362  -9.727
  474   1HG   GLN  64          2HG       GLN  64  26.475   4.930  -8.679
  475   2HG   GLN  64          3HG       GLN  64  26.151   3.625  -9.830
  476   1HE2  GLN  64          2HE2      GLN  64  28.714   4.071  -9.685
  477   2HE2  GLN  64          1HE2      GLN  64  29.285   5.086 -11.007
  478    H    ALA  65           H        ALA  65  22.233   5.449 -11.134
  479    HA   ALA  65           HA       ALA  65  20.955   7.666 -10.044
  480   1HB   ALA  65          1HB       ALA  65  21.189   7.205 -12.433
  481   2HB   ALA  65          2HB       ALA  65  20.073   5.827 -12.301
  482   3HB   ALA  65          3HB       ALA  65  19.487   7.484 -12.018
  483    H    ALA  66           H        ALA  66  19.770   4.297 -10.130
  484    HA   ALA  66           HA       ALA  66  17.176   4.794  -9.059
  485   1HB   ALA  66          1HB       ALA  66  17.150   2.339  -8.719
  486   2HB   ALA  66          2HB       ALA  66  17.767   2.782 -10.323
  487   3HB   ALA  66          3HB       ALA  66  18.897   2.287  -9.052
  488    H    ASN  67           H        ASN  67  20.243   4.043  -7.392
  489    HA   ASN  67           HA       ASN  67  18.805   4.149  -4.759
  490   1HB   ASN  67          2HB       ASN  67  21.327   2.576  -5.340
  491   2HB   ASN  67          3HB       ASN  67  20.251   2.434  -3.962
  492   1HD2  ASN  67          2HD2      ASN  67  20.818   1.542  -7.264
  493   2HD2  ASN  67          1HD2      ASN  67  19.556   0.334  -7.390
  494    H    GLN  68           H        GLN  68  19.729   6.475  -5.911
  495    HA   GLN  68           HA       GLN  68  22.232   7.500  -5.331
  496   1HB   GLN  68          2HB       GLN  68  19.497   8.815  -5.282
  497   2HB   GLN  68          3HB       GLN  68  20.958   9.752  -4.987
  498   1HG   GLN  68          2HG       GLN  68  20.574   8.088  -7.496
  499   2HG   GLN  68          3HG       GLN  68  20.073   9.770  -7.363
  500   1HE2  GLN  68          2HE2      GLN  68  22.812   7.630  -7.754
  501   2HE2  GLN  68          1HE2      GLN  68  24.003   8.924  -7.971
  502    H    ALA  69           H        ALA  69  19.493   7.725  -3.037
  503    HA   ALA  69           HA       ALA  69  20.831   9.119  -1.001
  504   1HB   ALA  69          1HB       ALA  69  18.387   8.867  -1.170
  505   2HB   ALA  69          2HB       ALA  69  18.521   7.140  -0.763
  506   3HB   ALA  69          3HB       ALA  69  18.968   8.380   0.431
  507    H    GLU  70           H        GLU  70  20.612   5.585  -1.421
  508    HA   GLU  70           HA       GLU  70  21.885   4.821   1.059
  509   1HB   GLU  70          2HB       GLU  70  21.587   3.355  -1.594
  510   2HB   GLU  70          3HB       GLU  70  22.300   2.656  -0.134
  511   1HG   GLU  70          2HG       GLU  70  20.186   3.124   1.112
  512   2HG   GLU  70          3HG       GLU  70  19.461   3.744  -0.373
  513    H    PHE  71           H        PHE  71  23.237   5.197  -2.252
  514    HA   PHE  71           HA       PHE  71  25.965   4.756  -1.469
  515   1HB   PHE  71          2HB       PHE  71  24.862   6.365  -3.806
  516   2HB   PHE  71          3HB       PHE  71  26.539   5.877  -3.607
  517    HD1  PHE  71           HD1      PHE  71  26.672   3.130  -2.970
  518    HD2  PHE  71           HD2      PHE  71  23.776   5.131  -5.478
  519    HE1  PHE  71           HE1      PHE  71  26.231   1.011  -4.168
  520    HE2  PHE  71           HE2      PHE  71  23.318   2.994  -6.624
  521    HZ   PHE  71           HZ       PHE  71  24.541   0.940  -5.986
  522    H    SER  72           H        SER  72  24.298   7.849  -2.122
  523    HA   SER  72           HA       SER  72  26.380   9.605  -1.748
  524   1HB   SER  72          2HB       SER  72  24.155  10.172  -2.635
  525   2HB   SER  72          3HB       SER  72  23.474  10.091  -0.998
  526    HG   SER  72           HG       SER  72  24.051  12.242  -1.660
  527    H    ARG  73           H        ARG  73  24.134   8.639   0.853
  528    HA   ARG  73           HA       ARG  73  25.300  10.167   2.980
  529   1HB   ARG  73          2HB       ARG  73  23.634   7.617   2.972
  530   2HB   ARG  73          3HB       ARG  73  24.120   8.455   4.452
  531   1HG   ARG  73          2HG       ARG  73  22.980  10.500   3.759
  532   2HG   ARG  73          3HG       ARG  73  22.508   9.776   2.217
  533   1HD   ARG  73          2HD       ARG  73  21.691   8.687   4.941
  534   2HD   ARG  73          3HD       ARG  73  20.709   9.809   3.979
  535    HE   ARG  73           HE       ARG  73  21.340   7.657   2.282
  536   1HH1  ARG  73          1HH2      ARG  73  19.426   8.085   5.184
  537   2HH1  ARG  73          2HH2      ARG  73  18.340   6.781   4.774
  538   1HH2  ARG  73          1HH1      ARG  73  19.929   6.003   1.824
  539   2HH2  ARG  73          2HH1      ARG  73  18.626   5.644   2.922
  540    H    GLU  74           H        GLU  74  25.798   6.716   2.242
  541    HA   GLU  74           HA       GLU  74  27.807   6.355   4.292
  542   1HB   GLU  74          2HB       GLU  74  26.947   4.668   1.913
  543   2HB   GLU  74          3HB       GLU  74  28.302   4.229   2.941
  544   1HG   GLU  74          2HG       GLU  74  26.640   4.577   4.941
  545   2HG   GLU  74          3HG       GLU  74  25.385   4.445   3.706
  546    H    LYS  75           H        LYS  75  28.151   6.843   0.795
  547    HA   LYS  75           HA       LYS  75  30.815   6.274   0.384
  548   1HB   LYS  75          2HB       LYS  75  29.151   6.739  -1.345
  549   2HB   LYS  75          3HB       LYS  75  29.159   8.459  -0.935
  550   1HG   LYS  75          2HG       LYS  75  31.484   8.651  -1.712
  551   2HG   LYS  75          3HG       LYS  75  31.564   6.896  -1.982
  552   1HD   LYS  75          2HD       LYS  75  29.781   7.076  -3.694
  553   2HD   LYS  75          3HD       LYS  75  29.677   8.828  -3.405
  554   1HE   LYS  75          2HE       LYS  75  32.067   9.065  -4.072
  555   2HE   LYS  75          3HE       LYS  75  32.150   7.326  -4.381
  556   1HZ   LYS  75          1HZ       LYS  75  30.449   7.620  -6.106
  557   2HZ   LYS  75          2HZ       LYS  75  30.374   9.229  -5.819
  558   3HZ   LYS  75          3HZ       LYS  75  31.737   8.570  -6.425
  559    H    GLN  76           H        GLN  76  29.702   9.156   1.950
  560    HA   GLN  76           HA       GLN  76  32.001  10.822   1.801
  561   1HB   GLN  76          2HB       GLN  76  30.186  10.547   4.223
  562   2HB   GLN  76          3HB       GLN  76  31.162  11.937   3.760
  563   1HG   GLN  76          2HG       GLN  76  28.625  10.911   2.457
  564   2HG   GLN  76          3HG       GLN  76  28.886  12.453   3.253
  565   1HE2  GLN  76          2HE2      GLN  76  28.305  11.284   0.291
  566   2HE2  GLN  76          1HE2      GLN  76  29.273  12.410  -0.672
  567    H    ASP  77           H        ASP  77  31.442   7.986   3.801
  568    HA   ASP  77           HA       ASP  77  34.167   8.224   5.044
  569   1HB   ASP  77          2HB       ASP  77  32.432   9.152   6.547
  570   2HB   ASP  77          3HB       ASP  77  31.556   7.624   6.482
  571    H    SER  78           H        SER  78  31.506   6.061   4.164
  572    HA   SER  78           HA       SER  78  32.621   3.658   5.280
  573   1HB   SER  78          2HB       SER  78  30.150   4.486   4.784
  574   2HB   SER  78          3HB       SER  78  30.411   3.701   3.230
  575    HG   SER  78           HG       SER  78  29.478   2.339   4.830
  576    H    LYS  79           H        LYS  79  34.663   4.362   3.825
  577    HA   LYS  79           HA       LYS  79  34.900   3.814   1.094
  578   1HB   LYS  79          2HB       LYS  79  36.548   4.972   2.558
  579   2HB   LYS  79          3HB       LYS  79  37.063   3.409   3.205
  580   1HG   LYS  79          2HG       LYS  79  37.737   2.694   0.914
  581   2HG   LYS  79          3HG       LYS  79  37.216   4.249   0.266
  582   1HD   LYS  79          2HD       LYS  79  39.419   3.805   2.334
  583   2HD   LYS  79          3HD       LYS  79  39.690   4.072   0.617
  584   1HE   LYS  79          2HE       LYS  79  38.398   6.081   2.521
  585   2HE   LYS  79          3HE       LYS  79  40.089   6.087   2.030
  586   1HZ   LYS  79          1HZ       LYS  79  37.793   6.442   0.177
  587   2HZ   LYS  79          2HZ       LYS  79  38.811   7.614   0.674
  588   3HZ   LYS  79          3HZ       LYS  79  39.366   6.411  -0.275
  589    H    LEU  80           H        LEU  80  35.622   1.477   3.675
  590    HA   LEU  80           HA       LEU  80  36.211  -0.759   2.020
  591   1HB   LEU  80          2HB       LEU  80  36.768  -0.656   4.385
  592   2HB   LEU  80          3HB       LEU  80  35.063  -0.647   4.832
  593    HG   LEU  80           HG       LEU  80  34.781  -2.944   4.048
  594   1HD1  LEU  80          1HD1      LEU  80  36.366  -3.073   2.174
  595   2HD1  LEU  80          2HD1      LEU  80  37.734  -2.865   3.292
  596   3HD1  LEU  80          3HD1      LEU  80  36.724  -4.327   3.362
  597   1HD2  LEU  80          1HD2      LEU  80  37.257  -2.561   5.790
  598   2HD2  LEU  80          2HD2      LEU  80  35.567  -2.588   6.343
  599   3HD2  LEU  80          3HD2      LEU  80  36.315  -4.053   5.684
  600    H    HIS  81           H        HIS  81  33.022   0.238   3.400
  601    HA   HIS  81           HA       HIS  81  31.521  -1.877   2.239
  602   1HB   HIS  81          2HB       HIS  81  30.722  -0.214   3.988
  603   2HB   HIS  81          3HB       HIS  81  30.467   0.927   2.683
  604    HD1  HIS  81           HD1      HIS  81  27.841   0.551   3.836
  605    HD2  HIS  81           HD2      HIS  81  29.493  -2.445   1.340
  606    HE1  HIS  81           HE1      HIS  81  25.911  -1.004   3.162
  607    HE2  HIS  81           HE2      HIS  81  26.932  -2.823   1.629
  608    H    GLN  82           H        GLN  82  32.109   1.426   0.952
  609    HA   GLN  82           HA       GLN  82  30.813   1.196  -1.534
  610   1HB   GLN  82          2HB       GLN  82  33.348   2.708  -0.803
  611   2HB   GLN  82          3HB       GLN  82  32.564   2.846  -2.368
  612   1HG   GLN  82          2HG       GLN  82  31.235   3.527   0.287
  613   2HG   GLN  82          3HG       GLN  82  31.992   4.679  -0.808
  614   1HE2  GLN  82          2HE2      GLN  82  28.988   3.556   0.084
  615   2HE2  GLN  82          1HE2      GLN  82  28.181   3.880  -1.443
  616    H    ARG  83           H        ARG  83  34.290   0.436  -0.965
  617    HA   ARG  83           HA       ARG  83  34.944  -0.527  -3.527
  618   1HB   ARG  83          2HB       ARG  83  36.559  -0.104  -1.705
  619   2HB   ARG  83          3HB       ARG  83  35.977  -1.530  -0.836
  620   1HG   ARG  83          2HG       ARG  83  36.712  -2.984  -2.714
  621   2HG   ARG  83          3HG       ARG  83  37.252  -1.550  -3.612
  622   1HD   ARG  83          2HD       ARG  83  38.886  -1.048  -1.829
  623   2HD   ARG  83          3HD       ARG  83  38.323  -2.459  -0.907
  624    HE   ARG  83           HE       ARG  83  39.074  -3.344  -3.508
  625   1HH1  ARG  83          1HH2      ARG  83  40.704  -2.114  -0.666
  626   2HH1  ARG  83          2HH2      ARG  83  42.185  -2.954  -1.050
  627   1HH2  ARG  83          1HH1      ARG  83  40.966  -4.387  -3.932
  628   2HH2  ARG  83          2HH1      ARG  83  42.320  -4.201  -2.853
  629    H    VAL  84           H        VAL  84  33.857  -2.543  -0.826
  630    HA   VAL  84           HA       VAL  84  33.663  -5.022  -2.258
  631    HB   VAL  84           HB       VAL  84  32.244  -4.116   0.273
  632   1HG1  VAL  84          1HG1      VAL  84  31.273  -6.246  -0.742
  633   2HG1  VAL  84          2HG1      VAL  84  32.878  -6.968  -0.569
  634   3HG1  VAL  84          3HG1      VAL  84  32.010  -6.432   0.869
  635   1HG2  VAL  84          1HG2      VAL  84  34.819  -5.711  -0.112
  636   2HG2  VAL  84          2HG2      VAL  84  34.757  -4.033   0.429
  637   3HG2  VAL  84          3HG2      VAL  84  34.061  -5.294   1.446
  638    H    LEU  85           H        LEU  85  31.104  -2.652  -1.417
  639    HA   LEU  85           HA       LEU  85  28.921  -3.938  -2.646
  640   1HB   LEU  85          2HB       LEU  85  28.781  -2.117  -1.012
  641   2HB   LEU  85          3HB       LEU  85  29.470  -0.986  -2.176
  642    HG   LEU  85           HG       LEU  85  27.470  -1.171  -3.590
  643   1HD1  LEU  85          1HD1      LEU  85  26.388  -3.007  -1.403
  644   2HD1  LEU  85          2HD1      LEU  85  25.445  -2.322  -2.744
  645   3HD1  LEU  85          3HD1      LEU  85  26.734  -3.476  -3.089
  646   1HD2  LEU  85          1HD2      LEU  85  27.556   0.514  -1.792
  647   2HD2  LEU  85          2HD2      LEU  85  25.897  -0.073  -2.011
  648   3HD2  LEU  85          3HD2      LEU  85  26.866  -0.651  -0.641
  649    H    TRP  86           H        TRP  86  31.056  -1.423  -4.109
  650    HA   TRP  86           HA       TRP  86  29.794  -1.494  -6.670
  651   1HB   TRP  86          2HB       TRP  86  32.533  -0.586  -5.762
  652   2HB   TRP  86          3HB       TRP  86  32.039  -0.527  -7.456
  653    HD1  TRP  86           HD1      TRP  86  32.009   1.668  -4.573
  654    HE1  TRP  86           HE1      TRP  86  30.103   3.381  -4.571
  655    HE3  TRP  86           HE3      TRP  86  29.353  -0.134  -8.558
  656    HZ2  TRP  86           HZ2      TRP  86  27.611   3.778  -6.011
  657    HZ3  TRP  86           HZ3      TRP  86  27.184   0.884  -9.193
  658    HH2  TRP  86           HH2      TRP  86  26.246   2.749  -7.821
  659    H    ARG  87           H        ARG  87  32.530  -3.428  -5.455
  660    HA   ARG  87           HA       ARG  87  32.949  -4.916  -7.894
  661   1HB   ARG  87          2HB       ARG  87  34.576  -5.030  -6.113
  662   2HB   ARG  87          3HB       ARG  87  33.380  -5.647  -4.985
  663   1HG   ARG  87          2HG       ARG  87  34.827  -7.444  -5.685
  664   2HG   ARG  87          3HG       ARG  87  33.203  -7.756  -6.277
  665   1HD   ARG  87          2HD       ARG  87  33.910  -6.870  -8.533
  666   2HD   ARG  87          3HD       ARG  87  35.555  -6.687  -7.912
  667    HE   ARG  87           HE       ARG  87  34.245  -9.150  -8.780
  668   1HH1  ARG  87          1HH2      ARG  87  36.827  -8.122  -6.621
  669   2HH1  ARG  87          2HH2      ARG  87  37.297  -9.795  -6.363
  670   1HH2  ARG  87          1HH1      ARG  87  35.016 -11.027  -8.616
  671   2HH2  ARG  87          2HH1      ARG  87  36.430 -11.402  -7.613
  672    H    LEU  88           H        LEU  88  30.777  -5.621  -5.141
  673    HA   LEU  88           HA       LEU  88  29.569  -7.959  -6.190
  674   1HB   LEU  88          2HB       LEU  88  29.415  -6.797  -3.849
  675   2HB   LEU  88          3HB       LEU  88  28.033  -5.947  -4.521
  676    HG   LEU  88           HG       LEU  88  28.370  -8.974  -4.266
  677   1HD1  LEU  88          1HD1      LEU  88  26.548  -7.030  -2.823
  678   2HD1  LEU  88          2HD1      LEU  88  26.652  -8.778  -2.542
  679   3HD1  LEU  88          3HD1      LEU  88  28.034  -7.744  -2.137
  680   1HD2  LEU  88          1HD2      LEU  88  25.855  -8.967  -4.738
  681   2HD2  LEU  88          2HD2      LEU  88  26.054  -7.312  -5.334
  682   3HD2  LEU  88          3HD2      LEU  88  26.894  -8.676  -6.124
  683    H    ILE  89           H        ILE  89  28.360  -4.592  -6.462
  684    HA   ILE  89           HA       ILE  89  26.210  -5.013  -8.251
  685    HB   ILE  89           HB       ILE  89  28.063  -2.636  -7.905
  686   1HG1  ILE  89          2HG1      ILE  89  25.138  -2.989  -7.096
  687   2HG1  ILE  89          3HG1      ILE  89  26.468  -3.393  -6.023
  688   1HG2  ILE  89          1HG2      ILE  89  26.342  -1.308  -9.169
  689   2HG2  ILE  89          2HG2      ILE  89  27.161  -2.478 -10.184
  690   3HG2  ILE  89          3HG2      ILE  89  25.523  -2.818  -9.595
  691   1HD1  ILE  89          1HD1      ILE  89  25.675  -1.200  -5.455
  692   2HD1  ILE  89          2HD1      ILE  89  27.296  -1.040  -6.157
  693   3HD1  ILE  89          3HD1      ILE  89  25.857  -0.622  -7.117
  694    H    LYS  90           H        LYS  90  29.638  -4.332  -9.120
  695    HA   LYS  90           HA       LYS  90  29.290  -4.609 -11.931
  696   1HB   LYS  90          2HB       LYS  90  31.257  -3.565 -10.869
  697   2HB   LYS  90          3HB       LYS  90  31.783  -5.146 -10.264
  698   1HG   LYS  90          2HG       LYS  90  32.091  -5.967 -12.552
  699   2HG   LYS  90          3HG       LYS  90  31.423  -4.458 -13.211
  700   1HD   LYS  90          2HD       LYS  90  33.326  -3.186 -12.309
  701   2HD   LYS  90          3HD       LYS  90  33.926  -4.624 -11.475
  702   1HE   LYS  90          2HE       LYS  90  35.257  -4.292 -13.451
  703   2HE   LYS  90          3HE       LYS  90  34.298  -5.761 -13.643
  704   1HZ   LYS  90          1HZ       LYS  90  33.615  -3.122 -14.838
  705   2HZ   LYS  90          2HZ       LYS  90  34.280  -4.373 -15.648
  706   3HZ   LYS  90          3HZ       LYS  90  32.767  -4.510 -15.056
  707    H    GLU  91           H        GLU  91  30.166  -7.195  -9.576
  708    HA   GLU  91           HA       GLU  91  30.328  -9.323 -11.464
  709   1HB   GLU  91          2HB       GLU  91  29.369  -9.321  -8.582
  710   2HB   GLU  91          3HB       GLU  91  29.544 -10.783  -9.527
  711   1HG   GLU  91          2HG       GLU  91  31.822  -8.835  -8.968
  712   2HG   GLU  91          3HG       GLU  91  31.454 -10.242  -7.985
  713    H    ILE  92           H        ILE  92  27.396  -8.146  -9.736
  714    HA   ILE  92           HA       ILE  92  25.523  -9.842 -11.087
  715    HB   ILE  92           HB       ILE  92  25.105  -7.096  -9.843
  716   1HG1  ILE  92          2HG1      ILE  92  24.418  -9.888  -8.822
  717   2HG1  ILE  92          3HG1      ILE  92  25.852  -8.997  -8.333
  718   1HG2  ILE  92          1HG2      ILE  92  23.313  -7.496 -11.483
  719   2HG2  ILE  92          2HG2      ILE  92  23.067  -9.144 -10.855
  720   3HG2  ILE  92          3HG2      ILE  92  22.662  -7.723  -9.879
  721   1HD1  ILE  92          1HD1      ILE  92  24.171  -8.760  -6.618
  722   2HD1  ILE  92          2HD1      ILE  92  24.421  -7.182  -7.399
  723   3HD1  ILE  92          3HD1      ILE  92  22.984  -8.163  -7.768
  724    H    CYS  93           H        CYS  93  26.476  -6.471 -11.898
  725    HA   CYS  93           HA       CYS  93  24.917  -6.219 -14.248
  726   1HB   CYS  93          2HB       CYS  93  27.494  -4.897 -13.359
  727   2HB   CYS  93          3HB       CYS  93  26.658  -4.449 -14.838
  728    H    SER  94           H        SER  94  28.260  -7.431 -13.923
  729    HA   SER  94           HA       SER  94  28.762  -8.010 -16.689
  730   1HB   SER  94          2HB       SER  94  29.876  -9.388 -14.222
  731   2HB   SER  94          3HB       SER  94  30.515  -9.499 -15.871
  732    HG   SER  94           HG       SER  94  30.372  -7.230 -14.178
  733    H    ALA  95           H        ALA  95  27.333  -9.996 -14.110
  734    HA   ALA  95           HA       ALA  95  27.166 -12.440 -15.550
  735   1HB   ALA  95          1HB       ALA  95  25.631 -13.141 -13.766
  736   2HB   ALA  95          2HB       ALA  95  27.045 -12.301 -13.107
  737   3HB   ALA  95          3HB       ALA  95  25.479 -11.465 -13.208
  738    H    LYS  96           H        LYS  96  24.593  -9.954 -15.085
  739    HA   LYS  96           HA       LYS  96  22.642 -11.321 -16.719
  740   1HB   LYS  96          2HB       LYS  96  21.393  -9.228 -16.782
  741   2HB   LYS  96          3HB       LYS  96  21.919  -9.640 -15.149
  742   1HG   LYS  96          2HG       LYS  96  23.676  -7.958 -15.226
  743   2HG   LYS  96          3HG       LYS  96  23.363  -7.639 -16.927
  744   1HD   LYS  96          2HD       LYS  96  22.477  -5.864 -15.633
  745   2HD   LYS  96          3HD       LYS  96  21.132  -6.719 -16.369
  746   1HE   LYS  96          2HE       LYS  96  21.951  -7.531 -13.571
  747   2HE   LYS  96          3HE       LYS  96  21.248  -5.928 -13.763
  748   1HZ   LYS  96          1HZ       LYS  96  19.327  -6.999 -14.897
  749   2HZ   LYS  96          2HZ       LYS  96  19.926  -8.474 -14.513
  750   3HZ   LYS  96          3HZ       LYS  96  19.485  -7.439 -13.321
  751    H    HIS  97           H        HIS  97  22.028 -11.129 -18.822
  752    HA   HIS  97           HA       HIS  97  23.795  -9.787 -20.817
  753   1HB   HIS  97          2HB       HIS  97  22.988 -12.736 -20.690
  754   2HB   HIS  97          3HB       HIS  97  23.599 -11.976 -22.143
  755    HD1  HIS  97           HD1      HIS  97  25.711 -10.648 -19.402
  756    HD2  HIS  97           HD2      HIS  97  25.325 -14.218 -21.642
  757    HE1  HIS  97           HE1      HIS  97  27.935 -11.908 -19.156
  758    HE2  HIS  97           HE2      HIS  97  27.706 -14.081 -20.530
  759    H    CYS  98           H        CYS  98  22.783  -9.425 -22.861
  760    HA   CYS  98           HA       CYS  98  19.942  -8.860 -22.709
  761   1HB   CYS  98          2HB       CYS  98  21.649  -7.556 -24.073
  762   2HB   CYS  98          3HB       CYS  98  21.689  -8.937 -25.179
  763    H    ASP  99           H        ASP  99  18.227  -9.858 -23.706
  764    HA   ASP  99           HA       ASP  99  18.250 -12.678 -24.251
  765   1HB   ASP  99          2HB       ASP  99  16.312 -11.417 -23.378
  766   2HB   ASP  99          3HB       ASP  99  16.183 -10.540 -24.903
  767    H    PHE 100           H        PHE 100  18.132  -9.846 -26.440
  768    HA   PHE 100           HA       PHE 100  17.941 -11.593 -28.805
  769   1HB   PHE 100          2HB       PHE 100  17.327  -9.544 -29.984
  770   2HB   PHE 100          3HB       PHE 100  16.331  -9.865 -28.589
  771    HD1  PHE 100           HD1      PHE 100  19.381  -7.827 -29.571
  772    HD2  PHE 100           HD2      PHE 100  15.837  -8.111 -27.114
  773    HE1  PHE 100           HE1      PHE 100  19.800  -5.559 -28.698
  774    HE2  PHE 100           HE2      PHE 100  16.231  -5.798 -26.304
  775    HZ   PHE 100           HZ       PHE 100  18.206  -4.521 -27.098
  776    H    TRP 101           H        TRP 101  20.671 -10.747 -27.279
  777    HA   TRP 101           HA       TRP 101  22.294  -9.519 -29.278
  778   1HB   TRP 101          2HB       TRP 101  22.896 -11.321 -26.932
  779   2HB   TRP 101          3HB       TRP 101  24.157 -10.997 -28.099
  780    HD1  TRP 101           HD1      TRP 101  23.252  -7.790 -28.452
  781    HE1  TRP 101           HE1      TRP 101  24.185  -6.186 -26.720
  782    HE3  TRP 101           HE3      TRP 101  24.372 -11.159 -24.744
  783    HZ2  TRP 101           HZ2      TRP 101  25.150  -6.297 -24.002
  784    HZ3  TRP 101           HZ3      TRP 101  25.353 -10.358 -22.592
  785    HH2  TRP 101           HH2      TRP 101  25.738  -7.945 -22.212
  786    H    LEU 102           H        LEU 102  23.676 -10.192 -30.778
  787    HA   LEU 102           HA       LEU 102  23.456 -12.869 -31.982
  788   1HB   LEU 102          2HB       LEU 102  22.560 -12.089 -34.024
  789   2HB   LEU 102          3HB       LEU 102  21.481 -11.537 -32.762
  790    HG   LEU 102           HG       LEU 102  23.565  -9.764 -34.132
  791   1HD1  LEU 102          1HD1      LEU 102  21.871 -10.586 -35.722
  792   2HD1  LEU 102          2HD1      LEU 102  20.576 -10.018 -34.643
  793   3HD1  LEU 102          3HD1      LEU 102  21.680  -8.856 -35.415
  794   1HD2  LEU 102          1HD2      LEU 102  22.931  -8.756 -32.014
  795   2HD2  LEU 102          2HD2      LEU 102  22.122  -7.889 -33.308
  796   3HD2  LEU 102          3HD2      LEU 102  21.206  -9.062 -32.337
  797    H    GLU 103           H        GLU 103  24.739 -12.894 -34.108
  798    HA   GLU 103           HA       GLU 103  27.474 -12.175 -33.635
  799   1HB   GLU 103          2HB       GLU 103  26.044 -12.988 -36.198
  800   2HB   GLU 103          3HB       GLU 103  27.793 -12.839 -36.036
  801   1HG   GLU 103          2HG       GLU 103  26.005 -14.789 -34.517
  802   2HG   GLU 103          3HG       GLU 103  27.059 -15.177 -35.869
  803    H    ARG 104           H        ARG 104  28.632 -10.453 -34.089
  804    HA   ARG 104           HA       ARG 104  27.423  -7.931 -34.418
  805   1HB   ARG 104          2HB       ARG 104  30.363  -8.619 -34.832
  806   2HB   ARG 104          3HB       ARG 104  29.705  -7.026 -34.489
  807   1HG   ARG 104          2HG       ARG 104  29.783  -9.435 -32.629
  808   2HG   ARG 104          3HG       ARG 104  30.668  -7.927 -32.468
  809   1HD   ARG 104          2HD       ARG 104  27.655  -8.289 -32.177
  810   2HD   ARG 104          3HD       ARG 104  28.824  -8.043 -30.875
  811    HE   ARG 104           HE       ARG 104  29.069  -5.866 -32.696
  812   1HH1  ARG 104          1HH2      ARG 104  26.759  -7.002 -30.343
  813   2HH1  ARG 104          2HH2      ARG 104  26.168  -5.400 -29.986
  814   1HH2  ARG 104          1HH1      ARG 104  28.261  -3.877 -32.301
  815   2HH2  ARG 104          2HH1      ARG 104  26.993  -3.661 -31.125
  816    H    GLY 105           H        GLY 105  29.010  -9.842 -36.887
  817   1HA   GLY 105          2HA       GLY 105  27.763  -8.190 -39.030
  818   2HA   GLY 105          3HA       GLY 105  29.523  -8.332 -39.044
  819    H    ALA 106           H        ALA 106  26.581 -10.341 -38.845
  820    HA   ALA 106           HA       ALA 106  27.715 -12.778 -39.844
  821   1HB   ALA 106          1HB       ALA 106  25.628 -12.664 -38.532
  822   2HB   ALA 106          2HB       ALA 106  24.832 -11.775 -39.852
  823   3HB   ALA 106          3HB       ALA 106  25.353 -13.456 -40.094
  824    H    ALA 107           H        ALA 107  27.843 -13.648 -41.852
  825    HA   ALA 107           HA       ALA 107  26.806 -12.301 -44.265
  826   1HB   ALA 107          1HB       ALA 107  29.773 -12.881 -43.829
  827   2HB   ALA 107          2HB       ALA 107  29.032 -12.317 -45.341
  828   3HB   ALA 107          3HB       ALA 107  29.025 -11.269 -43.909
  Start of MODEL    7
    1   1H    ARG   1          H1        ARG   1   9.970  10.317  -8.488
    2   2H    ARG   1          H2        ARG   1  11.071   9.355  -7.748
    3   3H    ARG   1          H3        ARG   1  10.203   8.782  -9.014
    4    HA   ARG   1           HA       ARG   1   9.363   7.875  -6.952
    5   1HB   ARG   1          2HB       ARG   1  10.084   9.979  -5.642
    6   2HB   ARG   1          3HB       ARG   1   8.609  10.740  -6.243
    7   1HG   ARG   1          2HG       ARG   1   7.342   8.745  -5.158
    8   2HG   ARG   1          3HG       ARG   1   8.882   8.325  -4.398
    9   1HD   ARG   1          2HD       ARG   1   8.953  10.605  -3.381
   10   2HD   ARG   1          3HD       ARG   1   7.399  10.985  -4.131
   11    HE   ARG   1           HE       ARG   1   7.864   9.418  -1.730
   12   1HH1  ARG   1          1HH2      ARG   1   5.429   9.638  -4.357
   13   2HH1  ARG   1          2HH2      ARG   1   4.206   9.205  -3.167
   14   1HH2  ARG   1          1HH1      ARG   1   6.102   8.785  -0.488
   15   2HH2  ARG   1          2HH1      ARG   1   4.527   8.756  -1.289
   16    H    VAL   2           H        VAL   2   7.238   7.181  -6.957
   17    HA   VAL   2           HA       VAL   2   5.422   7.881  -9.107
   18    HB   VAL   2           HB       VAL   2   4.955   6.384  -6.489
   19   1HG1  VAL   2          1HG1      VAL   2   2.789   7.124  -7.348
   20   2HG1  VAL   2          2HG1      VAL   2   3.202   6.551  -8.983
   21   3HG1  VAL   2          3HG1      VAL   2   2.975   5.402  -7.648
   22   1HG2  VAL   2          1HG2      VAL   2   5.073   4.357  -7.912
   23   2HG2  VAL   2          2HG2      VAL   2   5.471   5.364  -9.321
   24   3HG2  VAL   2          3HG2      VAL   2   6.595   5.245  -7.949
   25    H    ALA   3           H        ALA   3   3.742   9.344  -9.132
   26    HA   ALA   3           HA       ALA   3   3.663  11.503  -7.205
   27   1HB   ALA   3          1HB       ALA   3   1.788  12.292  -8.601
   28   2HB   ALA   3          2HB       ALA   3   3.168  11.805  -9.605
   29   3HB   ALA   3          3HB       ALA   3   1.751  10.738  -9.460
   30    H    GLU   4           H        GLU   4   2.301  11.836  -5.481
   31    HA   GLU   4           HA       GLU   4   0.565   9.699  -4.447
   32   1HB   GLU   4          2HB       GLU   4   0.953  12.625  -3.658
   33   2HB   GLU   4          3HB       GLU   4  -0.136  11.519  -2.831
   34   1HG   GLU   4          2HG       GLU   4   2.889  11.236  -3.043
   35   2HG   GLU   4          3HG       GLU   4   1.992  11.782  -1.632
   36    H    ASN   5           H        ASN   5  -1.564   9.433  -4.942
   37    HA   ASN   5           HA       ASN   5  -2.788  10.986  -7.041
   38   1HB   ASN   5          2HB       ASN   5  -3.881   8.801  -5.235
   39   2HB   ASN   5          3HB       ASN   5  -4.776   9.510  -6.572
   40   1HD2  ASN   5          2HD2      ASN   5  -3.861   9.291  -8.768
   41   2HD2  ASN   5          1HD2      ASN   5  -2.847   7.869  -9.087
   42    H    ARG   6           H        ARG   6  -2.566  13.019  -6.135
   43    HA   ARG   6           HA       ARG   6  -5.065  14.024  -4.850
   44   1HB   ARG   6          2HB       ARG   6  -3.717  15.797  -3.738
   45   2HB   ARG   6          3HB       ARG   6  -3.400  14.190  -3.113
   46   1HG   ARG   6          2HG       ARG   6  -1.256  14.115  -3.896
   47   2HG   ARG   6          3HG       ARG   6  -1.581  15.092  -5.325
   48   1HD   ARG   6          2HD       ARG   6  -1.516  16.247  -2.518
   49   2HD   ARG   6          3HD       ARG   6  -0.099  16.170  -3.577
   50    HE   ARG   6           HE       ARG   6  -1.980  17.415  -5.180
   51   1HH1  ARG   6          1HH2      ARG   6  -0.734  18.270  -2.021
   52   2HH1  ARG   6          2HH2      ARG   6  -1.063  19.964  -2.282
   53   1HH2  ARG   6          1HH1      ARG   6  -2.333  19.454  -5.454
   54   2HH2  ARG   6          2HH1      ARG   6  -1.976  20.640  -4.203
   55    HA   PRO   7           HA       PRO   7  -5.457  16.842  -8.281
   56   1HB   PRO   7          2HB       PRO   7  -5.389  19.075  -6.234
   57   2HB   PRO   7          3HB       PRO   7  -6.475  18.876  -7.647
   58   1HG   PRO   7          2HG       PRO   7  -7.360  18.205  -5.193
   59   2HG   PRO   7          3HG       PRO   7  -7.668  17.098  -6.572
   60   1HD   PRO   7          2HD       PRO   7  -5.533  16.905  -4.442
   61   2HD   PRO   7          3HD       PRO   7  -6.582  15.616  -5.108
   62    H    GLY   8           H        GLY   8  -3.869  17.257  -9.635
   63   1HA   GLY   8          2HA       GLY   8  -1.946  18.650 -10.338
   64   2HA   GLY   8          3HA       GLY   8  -1.256  18.393  -8.738
   65    H    ALA   9           H        ALA   9  -2.311  15.426  -8.978
   66    HA   ALA   9           HA       ALA   9   0.226  14.367  -9.396
   67   1HB   ALA   9          1HB       ALA   9  -1.566  13.295  -8.111
   68   2HB   ALA   9          2HB       ALA   9  -2.445  12.920  -9.605
   69   3HB   ALA   9          3HB       ALA   9  -0.865  12.174  -9.289
   70    H    PHE  10           H        PHE  10   1.433  13.678 -11.019
   71    HA   PHE  10           HA       PHE  10   0.876  13.891 -13.806
   72   1HB   PHE  10          2HB       PHE  10   2.821  12.198 -12.182
   73   2HB   PHE  10          3HB       PHE  10   2.834  12.238 -13.926
   74    HD1  PHE  10           HD1      PHE  10   5.293  12.675 -12.889
   75    HD2  PHE  10           HD2      PHE  10   2.137  15.619 -13.180
   76    HE1  PHE  10           HE1      PHE  10   6.978  14.495 -12.945
   77    HE2  PHE  10           HE2      PHE  10   3.825  17.406 -13.236
   78    HZ   PHE  10           HZ       PHE  10   6.249  16.861 -13.115
   79    H    ILE  11           H        ILE  11   0.089  12.501 -15.364
   80    HA   ILE  11           HA       ILE  11  -0.509   9.678 -14.615
   81    HB   ILE  11           HB       ILE  11  -2.127  11.422 -16.498
   82   1HG1  ILE  11          2HG1      ILE  11  -2.980  10.211 -13.830
   83   2HG1  ILE  11          3HG1      ILE  11  -2.531  11.900 -14.054
   84   1HG2  ILE  11          1HG2      ILE  11  -2.495   8.507 -15.655
   85   2HG2  ILE  11          2HG2      ILE  11  -3.569   9.419 -16.736
   86   3HG2  ILE  11          3HG2      ILE  11  -1.934   9.069 -17.245
   87   1HD1  ILE  11          1HD1      ILE  11  -4.910  10.522 -15.356
   88   2HD1  ILE  11          2HD1      ILE  11  -4.945  11.726 -14.075
   89   3HD1  ILE  11          3HD1      ILE  11  -4.382  12.192 -15.693
   90    H    LYS  12           H        LYS  12   0.722   8.404 -15.661
   91    HA   LYS  12           HA       LYS  12   1.975   9.119 -18.297
   92   1HB   LYS  12          2HB       LYS  12   3.207   7.563 -15.986
   93   2HB   LYS  12          3HB       LYS  12   3.922   7.815 -17.587
   94   1HG   LYS  12          2HG       LYS  12   3.863  10.287 -17.192
   95   2HG   LYS  12          3HG       LYS  12   3.213   9.997 -15.579
   96   1HD   LYS  12          2HD       LYS  12   5.467  10.419 -15.239
   97   2HD   LYS  12          3HD       LYS  12   5.349   8.671 -15.066
   98   1HE   LYS  12          2HE       LYS  12   6.085  10.000 -17.711
   99   2HE   LYS  12          3HE       LYS  12   7.296   9.781 -16.451
  100   1HZ   LYS  12          1HZ       LYS  12   7.237   7.979 -18.109
  101   2HZ   LYS  12          2HZ       LYS  12   7.029   7.418 -16.576
  102   3HZ   LYS  12          3HZ       LYS  12   5.759   7.524 -17.608
  103    H    GLN  13           H        GLN  13   0.357   8.230 -19.402
  104    HA   GLN  13           HA       GLN  13  -0.330   5.357 -19.328
  105   1HB   GLN  13          2HB       GLN  13  -1.134   7.713 -21.068
  106   2HB   GLN  13          3HB       GLN  13  -1.639   6.053 -21.416
  107   1HG   GLN  13          2HG       GLN  13  -2.167   7.479 -18.785
  108   2HG   GLN  13          3HG       GLN  13  -3.308   7.459 -20.127
  109   1HE2  GLN  13          2HE2      GLN  13  -4.327   5.338 -20.705
  110   2HE2  GLN  13          1HE2      GLN  13  -4.356   4.095 -19.456
  111    H    GLY  14           H        GLY  14   1.509   7.691 -21.234
  112   1HA   GLY  14          2HA       GLY  14   3.621   7.167 -22.326
  113   2HA   GLY  14          3HA       GLY  14   3.068   5.520 -22.621
  114    H    ARG  15           H        ARG  15   2.159   8.876 -23.296
  115    HA   ARG  15           HA       ARG  15   1.250   8.243 -26.082
  116   1HB   ARG  15          2HB       ARG  15  -0.664   8.267 -24.686
  117   2HB   ARG  15          3HB       ARG  15  -0.086   9.655 -23.773
  118   1HG   ARG  15          2HG       ARG  15  -0.525  11.169 -25.625
  119   2HG   ARG  15          3HG       ARG  15  -0.939   9.806 -26.684
  120   1HD   ARG  15          2HD       ARG  15  -2.942  10.938 -25.825
  121   2HD   ARG  15          3HD       ARG  15  -2.858   9.249 -25.297
  122    HE   ARG  15           HE       ARG  15  -1.807  10.394 -23.109
  123   1HH1  ARG  15          1HH2      ARG  15  -4.690  11.467 -24.797
  124   2HH1  ARG  15          2HH2      ARG  15  -5.386  12.064 -23.312
  125   1HH2  ARG  15          1HH1      ARG  15  -2.663  11.103 -21.410
  126   2HH2  ARG  15          2HH1      ARG  15  -4.251  11.882 -21.385
  127    H    LYS  16           H        LYS  16   2.239   9.380 -27.509
  128    HA   LYS  16           HA       LYS  16   3.873  11.756 -26.921
  129   1HB   LYS  16          2HB       LYS  16   4.391   9.713 -28.468
  130   2HB   LYS  16          3HB       LYS  16   3.367  10.520 -29.657
  131   1HG   LYS  16          2HG       LYS  16   4.882  12.495 -29.591
  132   2HG   LYS  16          3HG       LYS  16   5.832  11.726 -28.312
  133   1HD   LYS  16          2HD       LYS  16   6.266   9.796 -29.910
  134   2HD   LYS  16          3HD       LYS  16   5.497  10.759 -31.187
  135   1HE   LYS  16          2HE       LYS  16   7.184  12.549 -30.846
  136   2HE   LYS  16          3HE       LYS  16   7.906  11.617 -29.524
  137   1HZ   LYS  16          1HZ       LYS  16   8.390   9.847 -31.163
  138   2HZ   LYS  16          2HZ       LYS  16   7.827  10.787 -32.376
  139   3HZ   LYS  16          3HZ       LYS  16   9.158  11.231 -31.531
  140    H    LEU  17           H        LEU  17   3.427  13.818 -27.492
  141    HA   LEU  17           HA       LEU  17   0.705  14.474 -28.557
  142   1HB   LEU  17          2HB       LEU  17   2.434  15.919 -26.523
  143   2HB   LEU  17          3HB       LEU  17   0.822  16.407 -27.024
  144    HG   LEU  17           HG       LEU  17   1.415  13.768 -25.597
  145   1HD1  LEU  17          1HD1      LEU  17   0.429  16.426 -24.495
  146   2HD1  LEU  17          2HD1      LEU  17   0.546  14.894 -23.593
  147   3HD1  LEU  17          3HD1      LEU  17   2.014  15.673 -24.212
  148   1HD2  LEU  17          1HD2      LEU  17  -1.010  13.788 -25.133
  149   2HD2  LEU  17          2HD2      LEU  17  -1.194  15.261 -26.112
  150   3HD2  LEU  17          3HD2      LEU  17  -0.694  13.733 -26.873
  151    H    ASP  18           H        ASP  18   0.390  16.074 -30.065
  152    HA   ASP  18           HA       ASP  18   2.622  17.238 -31.476
  153   1HB   ASP  18          2HB       ASP  18   0.833  18.079 -32.881
  154   2HB   ASP  18          3HB       ASP  18   0.769  16.341 -32.692
  155    H    ILE  19           H        ILE  19   3.628  18.604 -30.052
  156    HA   ILE  19           HA       ILE  19   2.281  21.199 -29.431
  157    HB   ILE  19           HB       ILE  19   4.106  19.616 -27.582
  158   1HG1  ILE  19          2HG1      ILE  19   1.248  20.542 -27.055
  159   2HG1  ILE  19          3HG1      ILE  19   1.655  18.926 -27.627
  160   1HG2  ILE  19          1HG2      ILE  19   4.670  22.017 -27.451
  161   2HG2  ILE  19          2HG2      ILE  19   2.949  22.432 -27.255
  162   3HG2  ILE  19          3HG2      ILE  19   3.820  21.543 -25.995
  163   1HD1  ILE  19          1HD1      ILE  19   3.047  18.525 -25.627
  164   2HD1  ILE  19          2HD1      ILE  19   2.516  20.088 -24.961
  165   3HD1  ILE  19          3HD1      ILE  19   1.334  18.810 -25.263
  166    H    ASP  20           H        ASP  20   3.385  22.865 -30.249
  167    HA   ASP  20           HA       ASP  20   6.209  22.528 -31.159
  168   1HB   ASP  20          2HB       ASP  20   4.633  23.419 -32.797
  169   2HB   ASP  20          3HB       ASP  20   4.197  24.734 -31.701
  170    H    PHE  21           H        PHE  21   7.179  22.463 -29.222
  171    HA   PHE  21           HA       PHE  21   7.138  24.453 -27.117
  172   1HB   PHE  21          2HB       PHE  21   9.269  22.432 -27.943
  173   2HB   PHE  21          3HB       PHE  21   9.206  23.293 -26.420
  174    HD1  PHE  21           HD1      PHE  21   7.428  22.789 -24.756
  175    HD2  PHE  21           HD2      PHE  21   7.934  20.425 -28.315
  176    HE1  PHE  21           HE1      PHE  21   6.018  21.004 -23.772
  177    HE2  PHE  21           HE2      PHE  21   6.572  18.617 -27.309
  178    HZ   PHE  21           HZ       PHE  21   5.621  18.889 -25.023
  179    H    GLY  22           H        GLY  22   9.033  23.858 -29.971
  180   1HA   GLY  22          2HA       GLY  22  10.087  25.972 -31.113
  181   2HA   GLY  22          3HA       GLY  22  10.896  26.171 -29.545
  182    H    ALA  23           H        ALA  23  12.307  25.710 -31.998
  183    HA   ALA  23           HA       ALA  23  12.738  23.264 -32.997
  184   1HB   ALA  23          1HB       ALA  23  15.004  23.993 -33.622
  185   2HB   ALA  23          2HB       ALA  23  13.811  25.291 -33.823
  186   3HB   ALA  23          3HB       ALA  23  14.918  25.308 -32.430
  187    H    GLU  24           H        GLU  24  14.765  24.310 -30.238
  188    HA   GLU  24           HA       GLU  24  16.030  21.711 -30.001
  189   1HB   GLU  24          2HB       GLU  24  16.860  24.092 -29.201
  190   2HB   GLU  24          3HB       GLU  24  15.984  23.689 -27.724
  191   1HG   GLU  24          2HG       GLU  24  18.154  22.949 -27.282
  192   2HG   GLU  24          3HG       GLU  24  17.359  21.459 -27.770
  193    H    GLY  25           H        GLY  25  13.322  23.194 -28.266
  194   1HA   GLY  25          2HA       GLY  25  12.957  21.109 -26.303
  195   2HA   GLY  25          3HA       GLY  25  11.769  22.330 -26.766
  196    H    ASN  26           H        ASN  26  11.598  21.652 -29.526
  197    HA   ASN  26           HA       ASN  26   9.727  19.496 -29.653
  198   1HB   ASN  26          2HB       ASN  26  11.370  20.853 -31.843
  199   2HB   ASN  26          3HB       ASN  26  10.067  19.703 -32.136
  200   1HD2  ASN  26          1HD2      ASN  26   9.937  22.222 -33.290
  201   2HD2  ASN  26          2HD2      ASN  26   8.626  23.098 -32.493
  202    H    ARG  27           H        ARG  27  13.167  19.674 -30.582
  203    HA   ARG  27           HA       ARG  27  13.551  16.913 -31.362
  204   1HB   ARG  27          2HB       ARG  27  15.490  18.935 -30.170
  205   2HB   ARG  27          3HB       ARG  27  15.972  17.358 -30.781
  206   1HG   ARG  27          2HG       ARG  27  15.444  17.919 -33.036
  207   2HG   ARG  27          3HG       ARG  27  14.538  19.365 -32.558
  208   1HD   ARG  27          2HD       ARG  27  16.624  20.326 -31.590
  209   2HD   ARG  27          3HD       ARG  27  17.536  18.931 -32.189
  210    HE   ARG  27           HE       ARG  27  16.359  19.858 -34.472
  211   1HH1  ARG  27          1HH1      ARG  27  18.248  21.597 -32.028
  212   2HH1  ARG  27          2HH1      ARG  27  18.821  22.734 -33.221
  213   1HH2  ARG  27          1HH2      ARG  27  17.142  21.359 -35.879
  214   2HH2  ARG  27          2HH2      ARG  27  18.211  22.613 -35.316
  215    H    TYR  28           H        TYR  28  14.026  18.542 -28.224
  216    HA   TYR  28           HA       TYR  28  14.884  16.283 -26.765
  217   1HB   TYR  28          2HB       TYR  28  15.118  18.631 -26.038
  218   2HB   TYR  28          3HB       TYR  28  13.387  18.731 -25.759
  219    HD1  TYR  28           HD1      TYR  28  12.393  17.842 -23.780
  220    HD2  TYR  28           HD2      TYR  28  16.505  16.941 -24.711
  221    HE1  TYR  28           HE1      TYR  28  12.639  16.683 -21.591
  222    HE2  TYR  28           HE2      TYR  28  16.749  15.791 -22.502
  223    HH   TYR  28           HH       TYR  28  14.076  15.719 -20.148
  224    H    TYR  29           H        TYR  29  11.543  17.658 -26.868
  225    HA   TYR  29           HA       TYR  29  10.288  15.584 -25.394
  226   1HB   TYR  29          2HB       TYR  29   9.230  17.752 -25.869
  227   2HB   TYR  29          3HB       TYR  29   9.120  17.347 -27.577
  228    HD1  TYR  29           HD1      TYR  29   7.892  16.462 -24.156
  229    HD2  TYR  29           HD2      TYR  29   7.387  15.857 -28.404
  230    HE1  TYR  29           HE1      TYR  29   5.804  15.194 -23.726
  231    HE2  TYR  29           HE2      TYR  29   5.299  14.592 -27.968
  232    HH   TYR  29           HH       TYR  29   4.140  13.927 -24.645
  233    H    ALA  30           H        ALA  30  10.631  15.856 -28.994
  234    HA   ALA  30           HA       ALA  30   9.275  13.522 -29.691
  235   1HB   ALA  30          1HB       ALA  30  11.724  14.759 -31.018
  236   2HB   ALA  30          2HB       ALA  30  10.610  13.604 -31.777
  237   3HB   ALA  30          3HB       ALA  30  10.026  15.209 -31.302
  238    H    ALA  31           H        ALA  31  12.607  13.757 -28.523
  239    HA   ALA  31           HA       ALA  31  13.125  10.877 -28.809
  240   1HB   ALA  31          1HB       ALA  31  14.742  13.174 -27.633
  241   2HB   ALA  31          2HB       ALA  31  15.332  11.514 -27.876
  242   3HB   ALA  31          3HB       ALA  31  14.879  12.511 -29.273
  243    H    ASN  32           H        ASN  32  12.122  13.033 -26.172
  244    HA   ASN  32           HA       ASN  32  12.509  10.821 -24.189
  245   1HB   ASN  32          2HB       ASN  32  12.784  13.815 -23.785
  246   2HB   ASN  32          3HB       ASN  32  13.008  12.572 -22.564
  247   1HD2  ASN  32          2HD2      ASN  32  14.452  14.139 -25.294
  248   2HD2  ASN  32          1HD2      ASN  32  16.039  13.371 -25.110
  249    H    TYR  33           H        TYR  33   9.906  12.067 -25.651
  250    HA   TYR  33           HA       TYR  33   8.096  13.012 -23.892
  251   1HB   TYR  33          2HB       TYR  33   6.328  12.111 -25.225
  252   2HB   TYR  33          3HB       TYR  33   7.614  12.724 -26.232
  253    HD1  TYR  33           HD1      TYR  33   9.164  11.104 -27.421
  254    HD2  TYR  33           HD2      TYR  33   5.592   9.839 -25.353
  255    HE1  TYR  33           HE1      TYR  33   9.205   8.960 -28.669
  256    HE2  TYR  33           HE2      TYR  33   5.619   7.700 -26.634
  257    HH   TYR  33           HH       TYR  33   8.194   6.925 -29.000
  258    H    TRP  34           H        TRP  34   9.032   9.622 -23.944
  259    HA   TRP  34           HA       TRP  34   7.142   8.420 -22.252
  260   1HB   TRP  34          2HB       TRP  34   8.854   6.761 -21.815
  261   2HB   TRP  34          3HB       TRP  34   8.831   7.204 -23.512
  262    HD1  TRP  34           HD1      TRP  34  10.975   8.500 -24.475
  263    HE1  TRP  34           HE1      TRP  34  13.376   8.840 -23.600
  264    HE3  TRP  34           HE3      TRP  34  10.336   6.898 -19.645
  265    HZ2  TRP  34           HZ2      TRP  34  14.780   8.609 -21.114
  266    HZ3  TRP  34           HZ3      TRP  34  12.251   6.915 -18.056
  267    HH2  TRP  34           HH2      TRP  34  14.470   7.775 -18.772
  268    H    GLN  35           H        GLN  35   9.757  10.610 -21.267
  269    HA   GLN  35           HA       GLN  35   9.590  10.041 -18.419
  270   1HB   GLN  35          2HB       GLN  35  10.618  12.533 -19.846
  271   2HB   GLN  35          3HB       GLN  35  10.877  12.103 -18.154
  272   1HG   GLN  35          2HG       GLN  35  12.033  10.005 -18.917
  273   2HG   GLN  35          3HG       GLN  35  11.961  10.618 -20.575
  274   1HE2  GLN  35          1HE2      GLN  35  12.680  13.176 -20.529
  275   2HE2  GLN  35          2HE2      GLN  35  14.250  13.398 -19.769
  276    H    PHE  36           H        PHE  36   7.759  12.132 -20.572
  277    HA   PHE  36           HA       PHE  36   7.021  14.078 -18.546
  278   1HB   PHE  36          2HB       PHE  36   6.110  13.642 -21.417
  279   2HB   PHE  36          3HB       PHE  36   5.594  14.977 -20.421
  280    HD1  PHE  36           HD1      PHE  36   8.729  13.405 -21.801
  281    HD2  PHE  36           HD2      PHE  36   6.809  16.992 -20.396
  282    HE1  PHE  36           HE1      PHE  36  10.621  14.744 -22.666
  283    HE2  PHE  36           HE2      PHE  36   8.699  18.325 -21.277
  284    HZ   PHE  36           HZ       PHE  36  10.582  17.226 -22.432
  285    HA   PRO  37           HA       PRO  37   2.983  12.273 -17.459
  286   1HB   PRO  37          2HB       PRO  37   1.705  14.468 -16.501
  287   2HB   PRO  37          3HB       PRO  37   3.078  13.708 -15.651
  288   1HG   PRO  37          2HG       PRO  37   3.136  16.153 -17.436
  289   2HG   PRO  37          3HG       PRO  37   3.870  15.948 -15.826
  290   1HD   PRO  37          2HD       PRO  37   5.273  15.598 -18.152
  291   2HD   PRO  37          3HD       PRO  37   5.634  14.672 -16.665
  292    H    ASP  38           H        ASP  38   1.966  11.634 -19.378
  293    HA   ASP  38           HA       ASP  38   1.331  13.609 -21.453
  294   1HB   ASP  38          2HB       ASP  38   0.393  11.860 -22.734
  295   2HB   ASP  38          3HB       ASP  38   1.934  11.331 -22.065
  296    H    GLY  39           H        GLY  39  -0.351  12.319 -18.699
  297   1HA   GLY  39          2HA       GLY  39  -2.599  14.242 -19.195
  298   2HA   GLY  39          3HA       GLY  39  -2.868  12.653 -18.459
  299    H    ILE  40           H        ILE  40  -3.524  15.066 -17.153
  300    HA   ILE  40           HA       ILE  40  -1.876  14.754 -14.699
  301    HB   ILE  40           HB       ILE  40  -2.650  17.470 -15.836
  302   1HG1  ILE  40          2HG1      ILE  40   0.113  16.305 -15.217
  303   2HG1  ILE  40          3HG1      ILE  40  -0.576  16.441 -16.832
  304   1HG2  ILE  40          1HG2      ILE  40  -2.997  17.432 -13.395
  305   2HG2  ILE  40          2HG2      ILE  40  -1.390  16.712 -13.160
  306   3HG2  ILE  40          3HG2      ILE  40  -1.568  18.372 -13.762
  307   1HD1  ILE  40          1HD1      ILE  40   0.251  18.728 -15.044
  308   2HD1  ILE  40          2HD1      ILE  40   0.892  18.246 -16.623
  309   3HD1  ILE  40          3HD1      ILE  40  -0.736  18.938 -16.512
  310    H    TYR  41           H        TYR  41  -3.128  14.265 -13.065
  311    HA   TYR  41           HA       TYR  41  -6.053  14.407 -13.196
  312   1HB   TYR  41          2HB       TYR  41  -4.966  12.530 -12.041
  313   2HB   TYR  41          3HB       TYR  41  -4.119  13.643 -10.980
  314    HD1  TYR  41           HD1      TYR  41  -7.622  12.812 -12.093
  315    HD2  TYR  41           HD2      TYR  41  -5.057  14.149  -8.907
  316    HE1  TYR  41           HE1      TYR  41  -9.609  13.056 -10.594
  317    HE2  TYR  41           HE2      TYR  41  -7.034  14.373  -7.396
  318    HH   TYR  41           HH       TYR  41 -10.336  14.077  -8.646
  319    H    TYR  42           H        TYR  42  -6.920  16.409 -13.081
  320    HA   TYR  42           HA       TYR  42  -6.675  17.861 -10.591
  321   1HB   TYR  42          2HB       TYR  42  -4.797  18.901 -11.842
  322   2HB   TYR  42          3HB       TYR  42  -5.890  19.311 -13.160
  323    HD1  TYR  42           HD1      TYR  42  -5.243  19.837  -9.514
  324    HD2  TYR  42           HD2      TYR  42  -7.223  21.322 -13.044
  325    HE1  TYR  42           HE1      TYR  42  -5.982  21.854  -8.249
  326    HE2  TYR  42           HE2      TYR  42  -7.913  23.367 -11.777
  327    HH   TYR  42           HH       TYR  42  -7.246  23.757  -8.301
  328    H    GLU  43           H        GLU  43  -8.530  18.811 -10.065
  329    HA   GLU  43           HA       GLU  43 -10.732  19.131 -12.061
  330   1HB   GLU  43          2HB       GLU  43 -10.926  17.621  -9.427
  331   2HB   GLU  43          3HB       GLU  43 -12.291  18.081 -10.462
  332   1HG   GLU  43          2HG       GLU  43 -11.258  16.766 -12.333
  333   2HG   GLU  43          3HG       GLU  43 -10.000  16.236 -11.223
  334    H    GLY  44           H        GLY  44 -10.198  21.284 -11.929
  335   1HA   GLY  44          2HA       GLY  44 -10.364  22.858  -9.477
  336   2HA   GLY  44          3HA       GLY  44 -10.203  23.484 -11.102
  337    H    CYS  45           H        CYS  45 -12.659  22.100 -12.037
  338    HA   CYS  45           HA       CYS  45 -14.483  24.183 -11.883
  339   1HB   CYS  45          2HB       CYS  45 -15.009  21.245 -12.454
  340   2HB   CYS  45          3HB       CYS  45 -16.066  22.574 -12.904
  341    H    SER  46           H        SER  46 -15.702  24.934 -10.317
  342    HA   SER  46           HA       SER  46 -17.249  23.176  -8.504
  343   1HB   SER  46          2HB       SER  46 -16.626  24.668  -6.568
  344   2HB   SER  46          3HB       SER  46 -15.368  23.559  -7.128
  345    HG   SER  46           HG       SER  46 -14.292  25.208  -8.093
  346    H    GLU  47           H        GLU  47 -16.572  26.662  -9.003
  347    HA   GLU  47           HA       GLU  47 -19.440  27.176  -9.616
  348   1HB   GLU  47          2HB       GLU  47 -19.502  29.043  -8.037
  349   2HB   GLU  47          3HB       GLU  47 -19.223  27.513  -7.211
  350   1HG   GLU  47          2HG       GLU  47 -16.810  28.044  -6.991
  351   2HG   GLU  47          3HG       GLU  47 -17.046  29.545  -7.889
  352    H    ALA  48           H        ALA  48 -19.875  29.253 -10.568
  353    HA   ALA  48           HA       ALA  48 -18.399  29.798 -12.801
  354   1HB   ALA  48          1HB       ALA  48 -20.326  31.645 -11.343
  355   2HB   ALA  48          2HB       ALA  48 -19.873  31.749 -13.058
  356   3HB   ALA  48          3HB       ALA  48 -20.768  30.337 -12.468
  357    H    ASN  49           H        ASN  49 -17.830  31.289  -9.683
  358    HA   ASN  49           HA       ASN  49 -16.216  33.522 -10.511
  359   1HB   ASN  49          2HB       ASN  49 -16.279  31.903  -7.928
  360   2HB   ASN  49          3HB       ASN  49 -15.312  33.359  -8.159
  361   1HD2  ASN  49          2HD2      ASN  49 -18.192  32.391  -6.816
  362   2HD2  ASN  49          1HD2      ASN  49 -19.060  33.914  -7.040
  363    H    VAL  50           H        VAL  50 -15.464  30.100 -10.306
  364    HA   VAL  50           HA       VAL  50 -12.552  30.436 -10.694
  365    HB   VAL  50           HB       VAL  50 -14.327  27.969 -10.973
  366   1HG1  VAL  50          1HG1      VAL  50 -11.289  28.224 -10.924
  367   2HG1  VAL  50          2HG1      VAL  50 -12.214  26.703 -10.869
  368   3HG1  VAL  50          3HG1      VAL  50 -12.289  27.713 -12.306
  369   1HG2  VAL  50          1HG2      VAL  50 -14.262  28.739  -8.650
  370   2HG2  VAL  50          2HG2      VAL  50 -13.270  27.292  -8.830
  371   3HG2  VAL  50          3HG2      VAL  50 -12.489  28.884  -8.719
  372    H    THR  51           H        THR  51 -12.326  31.721 -12.505
  373    HA   THR  51           HA       THR  51 -13.532  31.130 -15.107
  374    HB   THR  51           HB       THR  51 -11.974  32.857 -15.921
  375    HG1  THR  51           1HG      THR  51 -10.683  33.914 -14.310
  376   1HG2  THR  51          1HG2      THR  51 -12.785  34.771 -14.681
  377   2HG2  THR  51          2HG2      THR  51 -14.095  33.586 -14.836
  378   3HG2  THR  51          3HG2      THR  51 -13.226  33.756 -13.294
  379    H    LYS  52           H        LYS  52 -11.840  30.959 -17.031
  380    HA   LYS  52           HA       LYS  52 -10.266  28.550 -16.749
  381   1HB   LYS  52          2HB       LYS  52 -11.184  29.316 -18.945
  382   2HB   LYS  52          3HB       LYS  52 -10.066  30.694 -18.918
  383   1HG   LYS  52          2HG       LYS  52  -8.141  29.128 -18.828
  384   2HG   LYS  52          3HG       LYS  52  -9.254  27.750 -18.829
  385   1HD   LYS  52          2HD       LYS  52 -10.004  28.363 -21.108
  386   2HD   LYS  52          3HD       LYS  52  -8.926  29.785 -21.077
  387   1HE   LYS  52          2HE       LYS  52  -6.984  28.247 -20.641
  388   2HE   LYS  52          3HE       LYS  52  -8.070  26.863 -20.791
  389   1HZ   LYS  52          1HZ       LYS  52  -6.887  27.279 -22.836
  390   2HZ   LYS  52          2HZ       LYS  52  -8.482  27.563 -23.110
  391   3HZ   LYS  52          3HZ       LYS  52  -7.441  28.815 -22.943
  392    H    GLU  53           H        GLU  53  -9.300  31.968 -16.892
  393    HA   GLU  53           HA       GLU  53  -6.542  31.700 -16.470
  394   1HB   GLU  53          2HB       GLU  53  -8.291  33.861 -15.206
  395   2HB   GLU  53          3HB       GLU  53  -6.562  33.927 -15.522
  396   1HG   GLU  53          2HG       GLU  53  -7.254  35.105 -17.324
  397   2HG   GLU  53          3HG       GLU  53  -7.319  33.507 -18.050
  398    H    MET  54           H        MET  54  -9.039  31.913 -13.912
  399    HA   MET  54           HA       MET  54  -7.391  31.421 -11.642
  400   1HB   MET  54          2HB       MET  54 -10.299  30.835 -12.239
  401   2HB   MET  54          3HB       MET  54  -9.574  30.424 -10.696
  402   1HG   MET  54          2HG       MET  54  -9.524  33.217 -11.888
  403   2HG   MET  54          3HG       MET  54 -10.775  32.650 -10.786
  404   1HE   MET  54          1HE       MET  54  -9.256  30.974  -8.530
  405   2HE   MET  54          2HE       MET  54  -9.016  32.299  -7.374
  406   3HE   MET  54          3HE       MET  54 -10.528  32.197  -8.304
  407    H    LEU  55           H        LEU  55  -9.276  28.999 -13.584
  408    HA   LEU  55           HA       LEU  55  -8.469  26.783 -12.040
  409   1HB   LEU  55          2HB       LEU  55 -10.429  27.018 -13.588
  410   2HB   LEU  55          3HB       LEU  55  -9.360  26.764 -14.963
  411    HG   LEU  55           HG       LEU  55  -9.497  24.799 -12.643
  412   1HD1  LEU  55          1HD1      LEU  55 -11.275  24.799 -15.104
  413   2HD1  LEU  55          2HD1      LEU  55 -11.193  23.520 -13.874
  414   3HD1  LEU  55          3HD1      LEU  55 -11.792  25.125 -13.433
  415   1HD2  LEU  55          1HD2      LEU  55  -7.674  24.330 -14.244
  416   2HD2  LEU  55          2HD2      LEU  55  -8.933  23.124 -14.391
  417   3HD2  LEU  55          3HD2      LEU  55  -8.821  24.439 -15.592
  418    H    VAL  56           H        VAL  56  -7.170  27.842 -15.198
  419    HA   VAL  56           HA       VAL  56  -5.253  25.764 -15.526
  420    HB   VAL  56           HB       VAL  56  -5.271  28.614 -16.627
  421   1HG1  VAL  56          1HG1      VAL  56  -3.717  26.171 -17.618
  422   2HG1  VAL  56          2HG1      VAL  56  -3.834  27.735 -18.443
  423   3HG1  VAL  56          3HG1      VAL  56  -3.004  27.629 -16.889
  424   1HG2  VAL  56          1HG2      VAL  56  -6.193  25.960 -17.822
  425   2HG2  VAL  56          2HG2      VAL  56  -7.262  27.237 -17.267
  426   3HG2  VAL  56          3HG2      VAL  56  -6.202  27.536 -18.647
  427    H    THR  57           H        THR  57  -4.859  29.018 -14.068
  428    HA   THR  57           HA       THR  57  -2.088  28.759 -13.329
  429    HB   THR  57           HB       THR  57  -4.270  30.387 -11.952
  430    HG1  THR  57           1HG      THR  57  -4.207  31.168 -13.910
  431   1HG2  THR  57          1HG2      THR  57  -2.383  31.876 -11.312
  432   2HG2  THR  57          2HG2      THR  57  -2.250  30.284 -10.560
  433   3HG2  THR  57          3HG2      THR  57  -1.232  30.690 -11.965
  434    H    SER  58           H        SER  58  -5.085  28.052 -11.478
  435    HA   SER  58           HA       SER  58  -3.821  27.070  -9.117
  436   1HB   SER  58          2HB       SER  58  -6.508  26.264 -10.265
  437   2HB   SER  58          3HB       SER  58  -5.938  25.985  -8.610
  438    HG   SER  58           HG       SER  58  -6.482  28.458  -9.894
  439    H    CYS  59           H        CYS  59  -4.757  25.346 -12.094
  440    HA   CYS  59           HA       CYS  59  -3.995  22.721 -11.342
  441   1HB   CYS  59          2HB       CYS  59  -5.357  23.226 -13.281
  442   2HB   CYS  59          3HB       CYS  59  -4.082  24.157 -14.025
  443    H    VAL  60           H        VAL  60  -1.967  25.221 -12.970
  444    HA   VAL  60           HA       VAL  60   0.483  23.731 -12.948
  445    HB   VAL  60           HB       VAL  60  -0.072  26.709 -12.871
  446   1HG1  VAL  60          1HG1      VAL  60   2.640  25.364 -13.150
  447   2HG1  VAL  60          2HG1      VAL  60   2.294  27.068 -13.508
  448   3HG1  VAL  60          3HG1      VAL  60   2.132  26.474 -11.858
  449   1HG2  VAL  60          1HG2      VAL  60   0.683  26.587 -15.205
  450   2HG2  VAL  60          2HG2      VAL  60   1.022  24.852 -15.022
  451   3HG2  VAL  60          3HG2      VAL  60  -0.654  25.456 -14.949
  452    H    ASN  61           H        ASN  61  -0.801  25.966 -10.478
  453    HA   ASN  61           HA       ASN  61   1.252  25.598  -8.522
  454   1HB   ASN  61          2HB       ASN  61  -1.653  26.488  -8.395
  455   2HB   ASN  61          3HB       ASN  61  -0.709  26.262  -6.928
  456   1HD2  ASN  61          2HD2      ASN  61  -0.875  28.175  -9.943
  457   2HD2  ASN  61          1HD2      ASN  61   0.174  29.448  -9.311
  458    H    ALA  62           H        ALA  62  -1.802  23.726  -8.951
  459    HA   ALA  62           HA       ALA  62  -1.404  21.949  -6.754
  460   1HB   ALA  62          1HB       ALA  62  -2.905  21.558  -9.384
  461   2HB   ALA  62          2HB       ALA  62  -3.110  20.606  -7.903
  462   3HB   ALA  62          3HB       ALA  62  -3.554  22.317  -7.912
  463    H    THR  63           H        THR  63  -0.510  21.690 -10.193
  464    HA   THR  63           HA       THR  63   0.736  19.145 -10.155
  465    HB   THR  63           HB       THR  63   1.541  21.481 -11.926
  466    HG1  THR  63           1HG      THR  63  -0.642  21.097 -12.131
  467   1HG2  THR  63          1HG2      THR  63   2.101  19.671 -13.524
  468   2HG2  THR  63          2HG2      THR  63   3.088  19.557 -12.059
  469   3HG2  THR  63          3HG2      THR  63   1.707  18.457 -12.296
  470    H    GLN  64           H        GLN  64   2.281  22.363  -9.618
  471    HA   GLN  64           HA       GLN  64   4.866  21.532  -8.975
  472   1HB   GLN  64          2HB       GLN  64   3.186  23.801  -7.867
  473   2HB   GLN  64          3HB       GLN  64   4.854  23.537  -7.371
  474   1HG   GLN  64          2HG       GLN  64   5.679  23.888  -9.600
  475   2HG   GLN  64          3HG       GLN  64   4.047  23.885 -10.268
  476   1HE2  GLN  64          2HE2      GLN  64   6.248  25.746  -8.086
  477   2HE2  GLN  64          1HE2      GLN  64   5.391  27.264  -8.337
  478    H    ALA  65           H        ALA  65   2.214  22.062  -6.603
  479    HA   ALA  65           HA       ALA  65   3.496  21.107  -4.336
  480   1HB   ALA  65          1HB       ALA  65   1.227  21.022  -3.373
  481   2HB   ALA  65          2HB       ALA  65   1.475  22.489  -4.339
  482   3HB   ALA  65          3HB       ALA  65   0.528  21.139  -5.004
  483    H    ALA  66           H        ALA  66   1.442  19.230  -6.578
  484    HA   ALA  66           HA       ALA  66   1.475  16.779  -5.102
  485   1HB   ALA  66          1HB       ALA  66   0.549  15.838  -7.198
  486   2HB   ALA  66          2HB       ALA  66  -0.250  17.355  -6.742
  487   3HB   ALA  66          3HB       ALA  66   0.954  17.351  -8.043
  488    H    ASN  67           H        ASN  67   3.707  18.005  -7.604
  489    HA   ASN  67           HA       ASN  67   5.234  15.425  -7.466
  490   1HB   ASN  67          2HB       ASN  67   5.046  17.191  -9.918
  491   2HB   ASN  67          3HB       ASN  67   5.593  15.528  -9.813
  492   1HD2  ASN  67          2HD2      ASN  67   2.863  17.646  -9.999
  493   2HD2  ASN  67          1HD2      ASN  67   1.660  16.424 -10.381
  494    H    GLN  68           H        GLN  68   5.796  17.533  -5.767
  495    HA   GLN  68           HA       GLN  68   7.756  19.398  -6.426
  496   1HB   GLN  68          2HB       GLN  68   7.383  17.828  -3.842
  497   2HB   GLN  68          3HB       GLN  68   8.526  19.168  -4.004
  498   1HG   GLN  68          2HG       GLN  68   6.730  20.727  -4.543
  499   2HG   GLN  68          3HG       GLN  68   5.553  19.414  -4.545
  500   1HE2  GLN  68          2HE2      GLN  68   4.436  19.060  -2.651
  501   2HE2  GLN  68          1HE2      GLN  68   4.986  19.640  -1.073
  502    H    ALA  69           H        ALA  69   8.431  16.084  -5.298
  503    HA   ALA  69           HA       ALA  69  11.222  16.164  -5.211
  504   1HB   ALA  69          1HB       ALA  69  11.089  13.705  -5.370
  505   2HB   ALA  69          2HB       ALA  69   9.844  14.349  -4.284
  506   3HB   ALA  69          3HB       ALA  69   9.407  13.818  -5.927
  507    H    GLU  70           H        GLU  70   9.190  15.352  -8.033
  508    HA   GLU  70           HA       GLU  70  11.279  14.548  -9.804
  509   1HB   GLU  70          2HB       GLU  70   8.599  15.812 -10.522
  510   2HB   GLU  70          3HB       GLU  70   9.647  14.893 -11.598
  511   1HG   GLU  70          2HG       GLU  70   8.167  13.830  -9.150
  512   2HG   GLU  70          3HG       GLU  70   7.768  13.530 -10.832
  513    H    PHE  71           H        PHE  71   9.606  17.713  -9.630
  514    HA   PHE  71           HA       PHE  71  11.307  19.148 -11.395
  515   1HB   PHE  71          2HB       PHE  71   9.803  20.193  -8.964
  516   2HB   PHE  71          3HB       PHE  71  10.388  21.157 -10.311
  517    HD1  PHE  71           HD1      PHE  71   9.571  19.789 -12.735
  518    HD2  PHE  71           HD2      PHE  71   7.434  20.171  -8.989
  519    HE1  PHE  71           HE1      PHE  71   7.423  19.415 -13.901
  520    HE2  PHE  71           HE2      PHE  71   5.322  19.701 -10.165
  521    HZ   PHE  71           HZ       PHE  71   5.304  19.330 -12.616
  522    H    SER  72           H        SER  72  11.531  18.798  -7.857
  523    HA   SER  72           HA       SER  72  13.759  20.453  -7.369
  524   1HB   SER  72          2HB       SER  72  12.931  17.941  -5.869
  525   2HB   SER  72          3HB       SER  72  14.090  19.151  -5.296
  526    HG   SER  72           HG       SER  72  11.323  19.489  -5.834
  527    H    ARG  73           H        ARG  73  13.782  16.950  -8.100
  528    HA   ARG  73           HA       ARG  73  16.687  16.678  -8.063
  529   1HB   ARG  73          2HB       ARG  73  14.482  14.968  -9.300
  530   2HB   ARG  73          3HB       ARG  73  16.185  14.531  -9.327
  531   1HG   ARG  73          2HG       ARG  73  14.492  14.909  -6.818
  532   2HG   ARG  73          3HG       ARG  73  14.963  13.370  -7.526
  533   1HD   ARG  73          2HD       ARG  73  16.831  15.452  -6.326
  534   2HD   ARG  73          3HD       ARG  73  16.324  13.941  -5.567
  535    HE   ARG  73           HE       ARG  73  17.463  13.134  -7.975
  536   1HH1  ARG  73          1HH2      ARG  73  18.679  14.875  -5.194
  537   2HH1  ARG  73          2HH2      ARG  73  20.316  14.331  -5.463
  538   1HH2  ARG  73          1HH1      ARG  73  19.554  12.489  -8.267
  539   2HH2  ARG  73          2HH1      ARG  73  20.785  13.012  -7.152
  540    H    GLU  74           H        GLU  74  14.394  16.916 -10.771
  541    HA   GLU  74           HA       GLU  74  16.324  16.749 -12.830
  542   1HB   GLU  74          2HB       GLU  74  13.547  17.975 -12.760
  543   2HB   GLU  74          3HB       GLU  74  14.505  17.931 -14.231
  544   1HG   GLU  74          2HG       GLU  74  13.728  15.461 -12.625
  545   2HG   GLU  74          3HG       GLU  74  12.895  16.047 -14.062
  546    H    LYS  75           H        LYS  75  14.901  19.831 -11.588
  547    HA   LYS  75           HA       LYS  75  15.967  21.563 -13.381
  548   1HB   LYS  75          2HB       LYS  75  15.354  23.255 -11.865
  549   2HB   LYS  75          3HB       LYS  75  14.247  21.933 -11.574
  550   1HG   LYS  75          2HG       LYS  75  15.711  21.240  -9.610
  551   2HG   LYS  75          3HG       LYS  75  16.669  22.704  -9.887
  552   1HD   LYS  75          2HD       LYS  75  14.646  24.101  -9.518
  553   2HD   LYS  75          3HD       LYS  75  13.693  22.634  -9.255
  554   1HE   LYS  75          2HE       LYS  75  14.238  23.555  -7.105
  555   2HE   LYS  75          3HE       LYS  75  15.136  22.046  -7.309
  556   1HZ   LYS  75          1HZ       LYS  75  16.491  23.877  -6.387
  557   2HZ   LYS  75          2HZ       LYS  75  17.124  23.311  -7.775
  558   3HZ   LYS  75          3HZ       LYS  75  16.309  24.741  -7.760
  559    H    GLN  76           H        GLN  76  17.861  20.151 -10.881
  560    HA   GLN  76           HA       GLN  76  19.990  22.043 -10.637
  561   1HB   GLN  76          2HB       GLN  76  20.074  19.008 -10.366
  562   2HB   GLN  76          3HB       GLN  76  21.287  20.133  -9.760
  563   1HG   GLN  76          2HG       GLN  76  18.394  19.916  -8.810
  564   2HG   GLN  76          3HG       GLN  76  19.823  19.370  -7.948
  565   1HE2  GLN  76          2HE2      GLN  76  21.476  21.158  -7.335
  566   2HE2  GLN  76          1HE2      GLN  76  20.774  22.728  -6.959
  567    H    ASP  77           H        ASP  77  19.388  19.572 -13.047
  568    HA   ASP  77           HA       ASP  77  21.781  20.440 -14.643
  569   1HB   ASP  77          2HB       ASP  77  22.306  18.373 -13.386
  570   2HB   ASP  77          3HB       ASP  77  20.913  17.574 -14.114
  571    H    SER  78           H        SER  78  18.606  18.873 -14.675
  572    HA   SER  78           HA       SER  78  18.373  18.611 -17.547
  573   1HB   SER  78          2HB       SER  78  17.306  17.387 -15.308
  574   2HB   SER  78          3HB       SER  78  15.953  18.366 -15.828
  575    HG   SER  78           HG       SER  78  16.036  16.285 -16.747
  576    H    LYS  79           H        LYS  79  18.932  21.146 -17.338
  577    HA   LYS  79           HA       LYS  79  16.921  23.079 -16.804
  578   1HB   LYS  79          2HB       LYS  79  19.344  23.224 -18.648
  579   2HB   LYS  79          3HB       LYS  79  18.350  24.616 -18.186
  580   1HG   LYS  79          2HG       LYS  79  18.852  24.213 -15.794
  581   2HG   LYS  79          3HG       LYS  79  19.853  22.818 -16.225
  582   1HD   LYS  79          2HD       LYS  79  21.364  24.295 -17.527
  583   2HD   LYS  79          3HD       LYS  79  20.375  25.700 -17.065
  584   1HE   LYS  79          2HE       LYS  79  20.824  25.218 -14.666
  585   2HE   LYS  79          3HE       LYS  79  21.803  23.819 -15.125
  586   1HZ   LYS  79          1HZ       LYS  79  23.324  25.344 -16.271
  587   2HZ   LYS  79          2HZ       LYS  79  22.419  26.638 -15.846
  588   3HZ   LYS  79          3HZ       LYS  79  23.189  25.767 -14.701
  589    H    LEU  80           H        LEU  80  17.806  21.783 -20.007
  590    HA   LEU  80           HA       LEU  80  15.684  23.018 -21.463
  591   1HB   LEU  80          2HB       LEU  80  17.640  21.995 -22.541
  592   2HB   LEU  80          3HB       LEU  80  17.118  20.392 -22.022
  593    HG   LEU  80           HG       LEU  80  15.115  20.538 -23.461
  594   1HD1  LEU  80          1HD1      LEU  80  16.215  23.250 -24.329
  595   2HD1  LEU  80          2HD1      LEU  80  14.896  22.366 -25.129
  596   3HD1  LEU  80          3HD1      LEU  80  14.676  22.960 -23.483
  597   1HD2  LEU  80          1HD2      LEU  80  17.703  21.258 -24.903
  598   2HD2  LEU  80          2HD2      LEU  80  17.174  19.628 -24.427
  599   3HD2  LEU  80          3HD2      LEU  80  16.273  20.532 -25.658
  600    H    HIS  81           H        HIS  81  15.748  19.834 -19.771
  601    HA   HIS  81           HA       HIS  81  13.186  18.947 -20.510
  602   1HB   HIS  81          2HB       HIS  81  14.911  17.637 -19.220
  603   2HB   HIS  81          3HB       HIS  81  14.409  18.495 -17.779
  604    HD1  HIS  81           HD1      HIS  81  13.826  15.789 -17.062
  605    HD2  HIS  81           HD2      HIS  81  11.335  17.770 -19.863
  606    HE1  HIS  81           HE1      HIS  81  11.687  14.380 -17.294
  607    HE2  HIS  81           HE2      HIS  81  10.177  15.605 -18.996
  608    H    GLN  82           H        GLN  82  14.011  20.892 -17.582
  609    HA   GLN  82           HA       GLN  82  11.414  21.252 -16.581
  610   1HB   GLN  82          2HB       GLN  82  13.769  23.171 -16.540
  611   2HB   GLN  82          3HB       GLN  82  12.271  23.447 -15.649
  612   1HG   GLN  82          2HG       GLN  82  14.038  20.992 -15.258
  613   2HG   GLN  82          3HG       GLN  82  14.110  22.461 -14.288
  614   1HE2  GLN  82          2HE2      GLN  82  12.134  23.081 -13.015
  615   2HE2  GLN  82          1HE2      GLN  82  11.089  21.757 -12.502
  616    H    ARG  83           H        ARG  83  12.998  23.428 -18.971
  617    HA   ARG  83           HA       ARG  83  10.795  25.221 -19.318
  618   1HB   ARG  83          2HB       ARG  83  12.908  24.384 -21.355
  619   2HB   ARG  83          3HB       ARG  83  11.825  25.757 -21.530
  620   1HG   ARG  83          2HG       ARG  83  13.981  25.417 -19.402
  621   2HG   ARG  83          3HG       ARG  83  14.046  26.470 -20.806
  622   1HD   ARG  83          2HD       ARG  83  12.165  26.735 -18.424
  623   2HD   ARG  83          3HD       ARG  83  13.561  27.740 -18.758
  624    HE   ARG  83           HE       ARG  83  10.906  27.924 -19.980
  625   1HH1  ARG  83          1HH2      ARG  83  14.238  28.905 -20.467
  626   2HH1  ARG  83          2HH2      ARG  83  13.774  30.214 -21.523
  627   1HH2  ARG  83          1HH1      ARG  83  10.401  29.581 -21.322
  628   2HH2  ARG  83          2HH1      ARG  83  11.664  30.578 -21.987
  629    H    VAL  84           H        VAL  84  11.565  22.381 -21.280
  630    HA   VAL  84           HA       VAL  84   9.228  22.424 -22.952
  631    HB   VAL  84           HB       VAL  84  10.955  20.055 -22.143
  632   1HG1  VAL  84          1HG1      VAL  84   9.327  20.399 -24.688
  633   2HG1  VAL  84          2HG1      VAL  84  10.263  18.993 -24.197
  634   3HG1  VAL  84          3HG1      VAL  84   8.780  19.425 -23.316
  635   1HG2  VAL  84          1HG2      VAL  84  12.166  20.474 -24.248
  636   2HG2  VAL  84          2HG2      VAL  84  11.149  21.904 -24.563
  637   3HG2  VAL  84          3HG2      VAL  84  12.286  21.896 -23.217
  638    H    LEU  85           H        LEU  85   9.881  20.603 -19.952
  639    HA   LEU  85           HA       LEU  85   7.428  19.280 -19.634
  640   1HB   LEU  85          2HB       LEU  85   9.520  18.778 -18.461
  641   2HB   LEU  85          3HB       LEU  85   9.399  20.286 -17.557
  642    HG   LEU  85           HG       LEU  85   7.405  19.449 -16.384
  643   1HD1  LEU  85          1HD1      LEU  85   6.778  17.054 -16.580
  644   2HD1  LEU  85          2HD1      LEU  85   6.450  17.938 -18.071
  645   3HD1  LEU  85          3HD1      LEU  85   7.880  16.878 -17.966
  646   1HD2  LEU  85          1HD2      LEU  85   8.567  17.664 -15.101
  647   2HD2  LEU  85          2HD2      LEU  85   9.761  17.501 -16.403
  648   3HD2  LEU  85          3HD2      LEU  85   9.659  19.009 -15.471
  649    H    TRP  86           H        TRP  86   8.309  22.524 -18.312
  650    HA   TRP  86           HA       TRP  86   5.730  22.973 -17.150
  651   1HB   TRP  86          2HB       TRP  86   7.991  24.816 -17.924
  652   2HB   TRP  86          3HB       TRP  86   6.462  25.440 -17.294
  653    HD1  TRP  86           HD1      TRP  86   9.687  24.400 -16.004
  654    HE1  TRP  86           HE1      TRP  86   9.608  23.554 -13.582
  655    HE3  TRP  86           HE3      TRP  86   4.608  24.176 -15.413
  656    HZ2  TRP  86           HZ2      TRP  86   7.574  22.631 -11.720
  657    HZ3  TRP  86           HZ3      TRP  86   3.614  23.288 -13.323
  658    HH2  TRP  86           HH2      TRP  86   5.101  22.398 -11.524
  659    H    ARG  87           H        ARG  87   6.916  23.839 -20.395
  660    HA   ARG  87           HA       ARG  87   4.457  25.056 -21.302
  661   1HB   ARG  87          2HB       ARG  87   6.486  25.305 -22.593
  662   2HB   ARG  87          3HB       ARG  87   6.640  23.566 -22.790
  663   1HG   ARG  87          2HG       ARG  87   5.854  24.548 -24.849
  664   2HG   ARG  87          3HG       ARG  87   4.596  23.512 -24.192
  665   1HD   ARG  87          2HD       ARG  87   3.454  25.565 -23.271
  666   2HD   ARG  87          3HD       ARG  87   4.689  26.566 -24.045
  667    HE   ARG  87           HE       ARG  87   2.385  25.285 -25.308
  668   1HH1  ARG  87          1HH2      ARG  87   5.596  26.452 -26.164
  669   2HH1  ARG  87          2HH2      ARG  87   5.250  26.170 -27.865
  670   1HH2  ARG  87          1HH1      ARG  87   2.003  25.229 -27.310
  671   2HH2  ARG  87          2HH1      ARG  87   3.221  25.657 -28.529
  672    H    LEU  88           H        LEU  88   5.512  21.662 -21.501
  673    HA   LEU  88           HA       LEU  88   3.156  20.500 -22.559
  674   1HB   LEU  88          2HB       LEU  88   5.210  19.335 -22.497
  675   2HB   LEU  88          3HB       LEU  88   5.383  19.490 -20.775
  676    HG   LEU  88           HG       LEU  88   4.895  17.229 -21.658
  677   1HD1  LEU  88          1HD1      LEU  88   3.615  16.521 -19.852
  678   2HD1  LEU  88          2HD1      LEU  88   4.470  17.954 -19.273
  679   3HD1  LEU  88          3HD1      LEU  88   2.749  18.052 -19.701
  680   1HD2  LEU  88          1HD2      LEU  88   2.076  18.243 -22.131
  681   2HD2  LEU  88          2HD2      LEU  88   3.248  17.716 -23.361
  682   3HD2  LEU  88          3HD2      LEU  88   2.621  16.561 -22.169
  683    H    ILE  89           H        ILE  89   3.971  20.898 -19.073
  684    HA   ILE  89           HA       ILE  89   1.489  20.077 -17.987
  685    HB   ILE  89           HB       ILE  89   3.549  22.057 -16.979
  686   1HG1  ILE  89          2HG1      ILE  89   2.823  19.288 -15.919
  687   2HG1  ILE  89          3HG1      ILE  89   4.023  19.511 -17.176
  688   1HG2  ILE  89          1HG2      ILE  89   1.056  21.045 -15.529
  689   2HG2  ILE  89          2HG2      ILE  89   2.400  21.894 -14.749
  690   3HG2  ILE  89          3HG2      ILE  89   1.430  22.728 -15.946
  691   1HD1  ILE  89          1HD1      ILE  89   4.192  20.625 -14.347
  692   2HD1  ILE  89          2HD1      ILE  89   5.140  19.312 -15.055
  693   3HD1  ILE  89          3HD1      ILE  89   5.356  20.970 -15.647
  694    H    LYS  90           H        LYS  90   2.417  23.411 -18.971
  695    HA   LYS  90           HA       LYS  90  -0.096  24.619 -18.413
  696   1HB   LYS  90          2HB       LYS  90   2.029  25.860 -18.856
  697   2HB   LYS  90          3HB       LYS  90   1.954  25.358 -20.540
  698   1HG   LYS  90          2HG       LYS  90   1.210  27.603 -20.474
  699   2HG   LYS  90          3HG       LYS  90  -0.192  26.610 -20.817
  700   1HD   LYS  90          2HD       LYS  90  -0.866  28.304 -19.288
  701   2HD   LYS  90          3HD       LYS  90  -0.839  26.800 -18.358
  702   1HE   LYS  90          2HE       LYS  90   1.336  27.401 -17.380
  703   2HE   LYS  90          3HE       LYS  90   1.469  28.801 -18.451
  704   1HZ   LYS  90          1HZ       LYS  90  -0.451  29.782 -17.339
  705   2HZ   LYS  90          2HZ       LYS  90  -0.601  28.494 -16.339
  706   3HZ   LYS  90          3HZ       LYS  90   0.714  29.463 -16.248
  707    H    GLU  91           H        GLU  91   0.981  23.199 -21.535
  708    HA   GLU  91           HA       GLU  91  -1.411  23.647 -23.008
  709   1HB   GLU  91          2HB       GLU  91   0.580  21.353 -23.107
  710   2HB   GLU  91          3HB       GLU  91  -0.740  21.511 -24.246
  711   1HG   GLU  91          2HG       GLU  91   1.428  23.615 -23.831
  712   2HG   GLU  91          3HG       GLU  91   1.480  22.355 -25.052
  713    H    ILE  92           H        ILE  92  -0.619  20.852 -20.906
  714    HA   ILE  92           HA       ILE  92  -3.175  19.562 -21.135
  715    HB   ILE  92           HB       ILE  92  -1.057  19.396 -18.961
  716   1HG1  ILE  92          2HG1      ILE  92  -1.829  17.506 -21.230
  717   2HG1  ILE  92          3HG1      ILE  92  -0.474  18.621 -21.303
  718   1HG2  ILE  92          1HG2      ILE  92  -3.592  17.730 -19.378
  719   2HG2  ILE  92          2HG2      ILE  92  -2.274  17.290 -18.279
  720   3HG2  ILE  92          3HG2      ILE  92  -3.203  18.741 -17.964
  721   1HD1  ILE  92          1HD1      ILE  92   0.433  16.507 -20.766
  722   2HD1  ILE  92          2HD1      ILE  92   0.522  17.486 -19.285
  723   3HD1  ILE  92          3HD1      ILE  92  -0.725  16.229 -19.460
  724    H    CYS  93           H        CYS  93  -1.980  21.815 -18.587
  725    HA   CYS  93           HA       CYS  93  -4.395  21.910 -17.097
  726   1HB   CYS  93          2HB       CYS  93  -2.117  23.866 -17.402
  727   2HB   CYS  93          3HB       CYS  93  -3.504  24.197 -16.369
  728    H    SER  94           H        SER  94  -3.401  24.037 -19.816
  729    HA   SER  94           HA       SER  94  -5.653  25.701 -20.015
  730   1HB   SER  94          2HB       SER  94  -3.547  25.884 -21.315
  731   2HB   SER  94          3HB       SER  94  -4.083  24.528 -22.325
  732    HG   SER  94           HG       SER  94  -4.590  26.584 -23.227
  733    H    ALA  95           H        ALA  95  -5.362  22.352 -21.160
  734    HA   ALA  95           HA       ALA  95  -7.792  22.292 -22.675
  735   1HB   ALA  95          1HB       ALA  95  -7.431  19.909 -22.794
  736   2HB   ALA  95          2HB       ALA  95  -5.868  20.731 -22.961
  737   3HB   ALA  95          3HB       ALA  95  -6.311  19.949 -21.425
  738    H    LYS  96           H        LYS  96  -7.363  22.096 -19.213
  739    HA   LYS  96           HA       LYS  96  -9.813  20.672 -18.502
  740   1HB   LYS  96          2HB       LYS  96  -8.090  22.715 -17.047
  741   2HB   LYS  96          3HB       LYS  96  -9.587  22.108 -16.378
  742   1HG   LYS  96          2HG       LYS  96  -7.560  21.071 -15.459
  743   2HG   LYS  96          3HG       LYS  96  -8.771  19.930 -16.076
  744   1HD   LYS  96          2HD       LYS  96  -7.402  19.503 -18.068
  745   2HD   LYS  96          3HD       LYS  96  -6.289  20.787 -17.593
  746   1HE   LYS  96          2HE       LYS  96  -5.295  18.648 -17.101
  747   2HE   LYS  96          3HE       LYS  96  -5.603  19.517 -15.598
  748   1HZ   LYS  96          1HZ       LYS  96  -7.543  18.108 -15.232
  749   2HZ   LYS  96          2HZ       LYS  96  -7.371  17.388 -16.695
  750   3HZ   LYS  96          3HZ       LYS  96  -6.247  17.136 -15.540
  751    H    HIS  97           H        HIS  97 -11.853  21.346 -18.798
  752    HA   HIS  97           HA       HIS  97 -12.533  24.234 -18.768
  753   1HB   HIS  97          2HB       HIS  97 -13.598  22.211 -20.775
  754   2HB   HIS  97          3HB       HIS  97 -14.145  23.871 -20.621
  755    HD1  HIS  97           HD1      HIS  97 -10.589  24.430 -20.487
  756    HD2  HIS  97           HD2      HIS  97 -13.358  23.138 -23.410
  757    HE1  HIS  97           HE1      HIS  97  -9.509  24.896 -22.778
  758    HE2  HIS  97           HE2      HIS  97 -11.202  24.116 -24.559
  759    H    CYS  98           H        CYS  98 -14.667  24.743 -18.166
  760    HA   CYS  98           HA       CYS  98 -16.082  22.609 -16.610
  761   1HB   CYS  98          2HB       CYS  98 -16.050  25.578 -16.028
  762   2HB   CYS  98          3HB       CYS  98 -16.728  24.295 -15.039
  763    H    ASP  99           H        ASP  99 -18.195  22.292 -16.949
  764    HA   ASP  99           HA       ASP  99 -19.536  23.191 -19.262
  765   1HB   ASP  99          2HB       ASP  99 -20.003  21.098 -18.053
  766   2HB   ASP  99          3HB       ASP  99 -20.662  22.010 -16.694
  767    H    PHE 100           H        PHE 100 -19.696  24.477 -15.964
  768    HA   PHE 100           HA       PHE 100 -21.921  26.245 -16.387
  769   1HB   PHE 100          2HB       PHE 100 -21.307  27.173 -14.199
  770   2HB   PHE 100          3HB       PHE 100 -21.436  25.431 -14.210
  771    HD1  PHE 100           HD1      PHE 100 -18.842  28.170 -14.446
  772    HD2  PHE 100           HD2      PHE 100 -19.760  24.154 -13.173
  773    HE1  PHE 100           HE1      PHE 100 -16.618  28.000 -13.353
  774    HE2  PHE 100           HE2      PHE 100 -17.571  24.007 -12.057
  775    HZ   PHE 100           HZ       PHE 100 -15.952  25.933 -12.184
  776    H    TRP 101           H        TRP 101 -18.717  26.645 -17.556
  777    HA   TRP 101           HA       TRP 101 -18.374  29.459 -17.167
  778   1HB   TRP 101          2HB       TRP 101 -17.243  27.541 -19.229
  779   2HB   TRP 101          3HB       TRP 101 -16.829  29.244 -19.190
  780    HD1  TRP 101           HD1      TRP 101 -16.868  28.939 -15.741
  781    HE1  TRP 101           HE1      TRP 101 -14.614  28.348 -14.725
  782    HE3  TRP 101           HE3      TRP 101 -14.521  27.075 -19.925
  783    HZ2  TRP 101           HZ2      TRP 101 -12.150  27.184 -15.542
  784    HZ3  TRP 101           HZ3      TRP 101 -12.159  26.309 -19.760
  785    HH2  TRP 101           HH2      TRP 101 -10.966  26.350 -17.564
  786    H    LEU 102           H        LEU 102 -18.674  31.203 -18.321
  787    HA   LEU 102           HA       LEU 102 -20.577  31.300 -20.563
  788   1HB   LEU 102          2HB       LEU 102 -22.197  32.555 -19.386
  789   2HB   LEU 102          3HB       LEU 102 -21.916  31.100 -18.459
  790    HG   LEU 102           HG       LEU 102 -20.755  33.840 -17.761
  791   1HD1  LEU 102          1HD1      LEU 102 -22.500  33.929 -16.038
  792   2HD1  LEU 102          2HD1      LEU 102 -23.218  33.813 -17.650
  793   3HD1  LEU 102          3HD1      LEU 102 -23.158  32.376 -16.603
  794   1HD2  LEU 102          1HD2      LEU 102 -20.896  31.272 -16.130
  795   2HD2  LEU 102          2HD2      LEU 102 -19.423  32.117 -16.670
  796   3HD2  LEU 102          3HD2      LEU 102 -20.472  32.866 -15.476
  797    H    GLU 103           H        GLU 103 -21.114  33.768 -20.941
  798    HA   GLU 103           HA       GLU 103 -18.676  35.070 -21.712
  799   1HB   GLU 103          2HB       GLU 103 -20.090  36.871 -22.497
  800   2HB   GLU 103          3HB       GLU 103 -20.756  35.313 -22.973
  801   1HG   GLU 103          2HG       GLU 103 -22.464  35.438 -21.224
  802   2HG   GLU 103          3HG       GLU 103 -21.742  36.904 -20.559
  803    H    ARG 104           H        ARG 104 -18.037  37.269 -21.217
  804    HA   ARG 104           HA       ARG 104 -17.466  37.663 -18.464
  805   1HB   ARG 104          2HB       ARG 104 -16.257  39.553 -19.060
  806   2HB   ARG 104          3HB       ARG 104 -16.083  38.462 -20.416
  807   1HG   ARG 104          2HG       ARG 104 -17.874  40.945 -20.305
  808   2HG   ARG 104          3HG       ARG 104 -16.300  40.814 -21.058
  809   1HD   ARG 104          2HD       ARG 104 -17.421  40.473 -22.960
  810   2HD   ARG 104          3HD       ARG 104 -17.540  38.817 -22.414
  811    HE   ARG 104           HE       ARG 104 -19.856  39.152 -21.922
  812   1HH1  ARG 104          1HH2      ARG 104 -18.488  42.288 -22.677
  813   2HH1  ARG 104          2HH2      ARG 104 -20.067  42.988 -22.924
  814   1HH2  ARG 104          1HH1      ARG 104 -21.771  40.045 -22.413
  815   2HH2  ARG 104          2HH1      ARG 104 -21.880  41.766 -22.721
  816    H    GLY 105           H        GLY 105 -17.931  39.336 -17.028
  817   1HA   GLY 105          2HA       GLY 105 -20.740  40.138 -16.840
  818   2HA   GLY 105          3HA       GLY 105 -19.441  40.540 -15.712
  819    H    ALA 106           H        ALA 106 -21.628  42.079 -17.330
  820    HA   ALA 106           HA       ALA 106 -20.017  44.495 -17.823
  821   1HB   ALA 106          1HB       ALA 106 -20.003  43.307 -19.996
  822   2HB   ALA 106          2HB       ALA 106 -21.779  43.227 -19.973
  823   3HB   ALA 106          3HB       ALA 106 -20.955  44.798 -20.094
  824    H    ALA 107           H        ALA 107 -21.345  46.405 -18.168
  825    HA   ALA 107           HA       ALA 107 -24.163  46.361 -17.269
  826   1HB   ALA 107          1HB       ALA 107 -22.847  46.551 -15.186
  827   2HB   ALA 107          2HB       ALA 107 -21.963  47.942 -15.859
  828   3HB   ALA 107          3HB       ALA 107 -23.705  48.064 -15.536
  Start of MODEL    8
    1   1H    ARG   1          H1        ARG   1   0.255  -0.631   3.102
    2   2H    ARG   1          H2        ARG   1   1.197  -1.558   4.059
    3   3H    ARG   1          H3        ARG   1  -0.348  -1.225   4.503
    4    HA   ARG   1           HA       ARG   1   0.153   1.116   4.705
    5   1HB   ARG   1          2HB       ARG   1   1.299   1.073   6.785
    6   2HB   ARG   1          3HB       ARG   1   0.326  -0.385   6.708
    7   1HG   ARG   1          2HG       ARG   1   2.369  -1.707   6.103
    8   2HG   ARG   1          3HG       ARG   1   3.352  -0.240   6.218
    9   1HD   ARG   1          2HD       ARG   1   1.730  -1.457   8.477
   10   2HD   ARG   1          3HD       ARG   1   3.469  -1.665   8.244
   11    HE   ARG   1           HE       ARG   1   3.497   0.965   8.392
   12   1HH1  ARG   1          1HH2      ARG   1   1.445  -1.084  10.441
   13   2HH1  ARG   1          2HH2      ARG   1   1.563   0.134  11.722
   14   1HH2  ARG   1          1HH1      ARG   1   3.497   2.335  10.145
   15   2HH2  ARG   1          2HH1      ARG   1   2.506   1.885  11.539
   16    H    VAL   2           H        VAL   2   1.972   2.675   5.169
   17    HA   VAL   2           HA       VAL   2   3.969   2.732   3.018
   18    HB   VAL   2           HB       VAL   2   3.595   4.526   5.455
   19   1HG1  VAL   2          1HG1      VAL   2   5.351   4.874   2.978
   20   2HG1  VAL   2          2HG1      VAL   2   5.018   6.134   4.186
   21   3HG1  VAL   2          3HG1      VAL   2   5.911   4.693   4.659
   22   1HG2  VAL   2          1HG2      VAL   2   2.672   6.129   3.806
   23   2HG2  VAL   2          2HG2      VAL   2   2.824   4.907   2.525
   24   3HG2  VAL   2          3HG2      VAL   2   1.696   4.661   3.876
   25    H    ALA   3           H        ALA   3   5.557   1.251   3.125
   26    HA   ALA   3           HA       ALA   3   6.581  -0.018   5.431
   27   1HB   ALA   3          1HB       ALA   3   8.360  -0.810   3.934
   28   2HB   ALA   3          2HB       ALA   3   6.774  -0.906   3.144
   29   3HB   ALA   3          3HB       ALA   3   7.904   0.404   2.718
   30    H    GLU   4           H        GLU   4   7.657   2.961   3.877
   31    HA   GLU   4           HA       GLU   4  10.075   3.397   5.354
   32   1HB   GLU   4          2HB       GLU   4   8.165   5.397   4.079
   33   2HB   GLU   4          3HB       GLU   4   9.787   5.771   4.668
   34   1HG   GLU   4          2HG       GLU   4  10.754   4.138   3.061
   35   2HG   GLU   4          3HG       GLU   4   9.141   3.803   2.430
   36    H    ASN   5           H        ASN   5   6.890   3.459   6.460
   37    HA   ASN   5           HA       ASN   5   7.742   4.574   9.084
   38   1HB   ASN   5          2HB       ASN   5   6.493   6.342   7.871
   39   2HB   ASN   5          3HB       ASN   5   5.147   5.226   7.638
   40   1HD2  ASN   5          2HD2      ASN   5   7.189   6.282  10.479
   41   2HD2  ASN   5          1HD2      ASN   5   5.765   6.497  11.491
   42    H    ARG   6           H        ARG   6   8.040   2.095   8.738
   43    HA   ARG   6           HA       ARG   6   5.792   0.502   9.771
   44   1HB   ARG   6          2HB       ARG   6   7.377  -1.367   9.753
   45   2HB   ARG   6          3HB       ARG   6   7.287  -0.536   8.203
   46   1HG   ARG   6          2HG       ARG   6   9.406   0.684   8.766
   47   2HG   ARG   6          3HG       ARG   6   9.511  -0.244  10.272
   48   1HD   ARG   6          2HD       ARG   6   9.726  -2.321   9.074
   49   2HD   ARG   6          3HD       ARG   6   9.294  -1.545   7.532
   50    HE   ARG   6           HE       ARG   6  11.667  -0.326   8.608
   51   1HH1  ARG   6          1HH2      ARG   6  10.659  -3.194   6.868
   52   2HH1  ARG   6          2HH2      ARG   6  12.249  -3.444   6.196
   53   1HH2  ARG   6          1HH1      ARG   6  13.679  -0.799   7.865
   54   2HH2  ARG   6          2HH1      ARG   6  13.899  -2.087   6.703
   55    HA   PRO   7           HA       PRO   7   6.483   1.015  14.139
   56   1HB   PRO   7          2HB       PRO   7   6.462  -2.006  14.306
   57   2HB   PRO   7          3HB       PRO   7   5.588  -0.813  15.315
   58   1HG   PRO   7          2HG       PRO   7   4.280  -2.124  13.353
   59   2HG   PRO   7          3HG       PRO   7   4.033  -0.358  13.560
   60   1HD   PRO   7          2HD       PRO   7   5.832  -1.776  11.579
   61   2HD   PRO   7          3HD       PRO   7   4.681  -0.437  11.304
   62    H    GLY   8           H        GLY   8   8.387   1.593  14.980
   63   1HA   GLY   8          2HA       GLY   8  10.511   0.913  16.026
   64   2HA   GLY   8          3HA       GLY   8  10.850  -0.046  14.590
   65    H    ALA   9           H        ALA   9   9.557   2.390  12.992
   66    HA   ALA   9           HA       ALA   9  11.998   3.270  11.984
   67   1HB   ALA   9          1HB       ALA   9   9.258   4.588  11.795
   68   2HB   ALA   9          2HB       ALA   9  10.647   4.945  10.750
   69   3HB   ALA   9          3HB       ALA   9   9.915   3.333  10.726
   70    H    PHE  10           H        PHE  10  13.468   4.743  12.432
   71    HA   PHE  10           HA       PHE  10  13.620   6.383  14.750
   72   1HB   PHE  10          2HB       PHE  10  14.959   6.478  12.012
   73   2HB   PHE  10          3HB       PHE  10  15.391   7.571  13.301
   74    HD1  PHE  10           HD1      PHE  10  14.884   4.613  15.139
   75    HD2  PHE  10           HD2      PHE  10  17.540   6.341  12.197
   76    HE1  PHE  10           HE1      PHE  10  16.729   3.202  15.948
   77    HE2  PHE  10           HE2      PHE  10  19.389   4.930  13.052
   78    HZ   PHE  10           HZ       PHE  10  18.985   3.346  14.915
   79    H    ILE  11           H        ILE  11  13.199   8.558  15.212
   80    HA   ILE  11           HA       ILE  11  12.216  10.302  13.006
   81    HB   ILE  11           HB       ILE  11  11.326  10.424  15.898
   82   1HG1  ILE  11          2HG1      ILE  11   9.645   9.563  13.503
   83   2HG1  ILE  11          3HG1      ILE  11  10.363   8.440  14.654
   84   1HG2  ILE  11          1HG2      ILE  11   9.795  12.175  15.097
   85   2HG2  ILE  11          2HG2      ILE  11  11.446  12.600  14.685
   86   3HG2  ILE  11          3HG2      ILE  11  10.372  11.950  13.431
   87   1HD1  ILE  11          1HD1      ILE  11   9.102   9.526  16.516
   88   2HD1  ILE  11          2HD1      ILE  11   8.269  10.544  15.316
   89   3HD1  ILE  11          3HD1      ILE  11   8.062   8.794  15.282
   90    H    LYS  12           H        LYS  12  13.855  11.473  12.570
   91    HA   LYS  12           HA       LYS  12  15.705  12.582  14.661
   92   1HB   LYS  12          2HB       LYS  12  16.217  12.274  11.676
   93   2HB   LYS  12          3HB       LYS  12  17.344  12.863  12.905
   94   1HG   LYS  12          2HG       LYS  12  17.138  10.576  14.026
   95   2HG   LYS  12          3HG       LYS  12  16.245  10.042  12.589
   96   1HD   LYS  12          2HD       LYS  12  18.258  10.847  11.212
   97   2HD   LYS  12          3HD       LYS  12  19.108  11.070  12.755
   98   1HE   LYS  12          2HE       LYS  12  18.576   8.611  13.254
   99   2HE   LYS  12          3HE       LYS  12  17.991   8.487  11.585
  100   1HZ   LYS  12          1HZ       LYS  12  20.272   7.817  11.577
  101   2HZ   LYS  12          2HZ       LYS  12  20.269   9.306  10.924
  102   3HZ   LYS  12          3HZ       LYS  12  20.737   9.107  12.490
  103    H    GLN  13           H        GLN  13  14.361  14.213  15.276
  104    HA   GLN  13           HA       GLN  13  13.625  16.447  13.471
  105   1HB   GLN  13          2HB       GLN  13  13.467  16.026  16.488
  106   2HB   GLN  13          3HB       GLN  13  12.964  17.508  15.665
  107   1HG   GLN  13          2HG       GLN  13  11.276  16.246  14.383
  108   2HG   GLN  13          3HG       GLN  13  11.791  14.744  15.158
  109   1HE2  GLN  13          2HE2      GLN  13  11.856  14.988  17.762
  110   2HE2  GLN  13          1HE2      GLN  13  10.345  15.680  18.376
  111    H    GLY  14           H        GLY  14  16.068  15.502  15.812
  112   1HA   GLY  14          2HA       GLY  14  18.352  16.286  15.836
  113   2HA   GLY  14          3HA       GLY  14  17.854  17.801  15.083
  114    H    ARG  15           H        ARG  15  15.858  16.645  17.583
  115    HA   ARG  15           HA       ARG  15  16.234  18.884  19.397
  116   1HB   ARG  15          2HB       ARG  15  14.071  17.873  19.021
  117   2HB   ARG  15          3HB       ARG  15  14.695  16.279  19.442
  118   1HG   ARG  15          2HG       ARG  15  14.915  16.906  21.790
  119   2HG   ARG  15          3HG       ARG  15  14.439  18.574  21.421
  120   1HD   ARG  15          2HD       ARG  15  12.595  17.200  22.381
  121   2HD   ARG  15          3HD       ARG  15  12.210  17.874  20.793
  122    HE   ARG  15           HE       ARG  15  12.960  15.526  19.906
  123   1HH1  ARG  15          2HH1      ARG  15  11.156  15.850  22.904
  124   2HH1  ARG  15          1HH1      ARG  15  10.463  14.261  22.699
  125   1HH2  ARG  15          1HH2      ARG  15  12.158  13.662  19.749
  126   2HH2  ARG  15          2HH2      ARG  15  11.060  12.995  20.951
  127    H    LYS  16           H        LYS  16  17.926  19.064  20.665
  128    HA   LYS  16           HA       LYS  16  19.614  16.859  21.557
  129   1HB   LYS  16          2HB       LYS  16  20.323  19.236  20.960
  130   2HB   LYS  16          3HB       LYS  16  19.670  19.755  22.514
  131   1HG   LYS  16          2HG       LYS  16  21.244  18.206  23.673
  132   2HG   LYS  16          3HG       LYS  16  21.826  17.628  22.109
  133   1HD   LYS  16          2HD       LYS  16  22.494  20.028  21.575
  134   2HD   LYS  16          3HD       LYS  16  22.111  20.439  23.258
  135   1HE   LYS  16          2HE       LYS  16  23.775  18.775  24.042
  136   2HE   LYS  16          3HE       LYS  16  24.097  18.302  22.366
  137   1HZ   LYS  16          1HZ       LYS  16  24.674  20.964  23.549
  138   2HZ   LYS  16          2HZ       LYS  16  25.774  19.848  23.069
  139   3HZ   LYS  16          3HZ       LYS  16  24.855  20.607  21.963
  140    H    LEU  17           H        LEU  17  18.843  15.482  22.990
  141    HA   LEU  17           HA       LEU  17  16.966  16.183  25.133
  142   1HB   LEU  17          2HB       LEU  17  18.425  13.583  24.513
  143   2HB   LEU  17          3HB       LEU  17  17.070  13.751  25.616
  144    HG   LEU  17           HG       LEU  17  16.897  14.258  22.611
  145   1HD1  LEU  17          1HD1      LEU  17  15.701  12.121  22.549
  146   2HD1  LEU  17          2HD1      LEU  17  17.357  11.925  23.149
  147   3HD1  LEU  17          3HD1      LEU  17  15.994  11.889  24.289
  148   1HD2  LEU  17          1HD2      LEU  17  14.460  14.177  22.986
  149   2HD2  LEU  17          2HD2      LEU  17  14.721  14.043  24.740
  150   3HD2  LEU  17          3HD2      LEU  17  15.187  15.523  23.870
  151    H    ASP  18           H        ASP  18  17.486  14.984  27.315
  152    HA   ASP  18           HA       ASP  18  20.270  15.478  28.257
  153   1HB   ASP  18          2HB       ASP  18  18.973  17.430  28.917
  154   2HB   ASP  18          3HB       ASP  18  17.724  16.407  29.630
  155    H    ILE  19           H        ILE  19  20.917  13.470  28.509
  156    HA   ILE  19           HA       ILE  19  19.465  11.533  30.250
  157    HB   ILE  19           HB       ILE  19  20.691  10.977  27.518
  158   1HG1  ILE  19          2HG1      ILE  19  17.813  10.594  28.442
  159   2HG1  ILE  19          3HG1      ILE  19  18.381  11.944  27.465
  160   1HG2  ILE  19          1HG2      ILE  19  19.524   9.000  29.533
  161   2HG2  ILE  19          2HG2      ILE  19  20.065   8.588  27.900
  162   3HG2  ILE  19          3HG2      ILE  19  21.244   9.131  29.077
  163   1HD1  ILE  19          1HD1      ILE  19  19.108  10.385  25.683
  164   2HD1  ILE  19          2HD1      ILE  19  18.351   9.045  26.578
  165   3HD1  ILE  19          3HD1      ILE  19  17.359  10.383  25.987
  166    H    ASP  20           H        ASP  20  20.820  10.740  31.780
  167    HA   ASP  20           HA       ASP  20  23.738  11.247  31.567
  168   1HB   ASP  20          2HB       ASP  20  22.621  11.813  33.667
  169   2HB   ASP  20          3HB       ASP  20  22.111  10.133  33.870
  170    H    PHE  21           H        PHE  21  24.169   9.901  29.880
  171    HA   PHE  21           HA       PHE  21  23.923   7.014  29.789
  172   1HB   PHE  21          2HB       PHE  21  25.970   8.880  28.506
  173   2HB   PHE  21          3HB       PHE  21  25.645   7.227  28.038
  174    HD1  PHE  21           HD1      PHE  21  24.599  10.716  27.693
  175    HD2  PHE  21           HD2      PHE  21  23.503   6.634  26.929
  176    HE1  PHE  21           HE1      PHE  21  22.897  11.485  26.064
  177    HE2  PHE  21           HE2      PHE  21  21.736   7.403  25.361
  178    HZ   PHE  21           HZ       PHE  21  21.456   9.828  24.886
  179    H    GLY  22           H        GLY  22  26.312   9.293  30.865
  180   1HA   GLY  22          2HA       GLY  22  27.779   8.522  32.909
  181   2HA   GLY  22          3HA       GLY  22  28.281   7.235  31.791
  182    H    ALA  23           H        ALA  23  30.091   9.184  32.852
  183    HA   ALA  23           HA       ALA  23  30.463  11.587  31.738
  184   1HB   ALA  23          1HB       ALA  23  32.878  11.337  32.192
  185   2HB   ALA  23          2HB       ALA  23  31.874  10.661  33.491
  186   3HB   ALA  23          3HB       ALA  23  32.671   9.579  32.322
  187    H    GLU  24           H        GLU  24  31.899   8.743  30.117
  188    HA   GLU  24           HA       GLU  24  32.939  10.187  27.840
  189   1HB   GLU  24          2HB       GLU  24  33.753   7.986  28.713
  190   2HB   GLU  24          3HB       GLU  24  32.274   7.227  28.115
  191   1HG   GLU  24          2HG       GLU  24  32.887   7.895  25.798
  192   2HG   GLU  24          3HG       GLU  24  34.328   8.708  26.411
  193    H    GLY  25           H        GLY  25  29.973   8.252  28.284
  194   1HA   GLY  25          2HA       GLY  25  28.978   8.470  25.601
  195   2HA   GLY  25          3HA       GLY  25  28.045   8.009  27.027
  196    H    ASN  26           H        ASN  26  28.351  10.365  28.511
  197    HA   ASN  26           HA       ASN  26  26.358  12.175  27.599
  198   1HB   ASN  26          2HB       ASN  26  28.632  12.548  29.611
  199   2HB   ASN  26          3HB       ASN  26  27.312  13.694  29.372
  200   1HD2  ASN  26          2HD2      ASN  26  27.649  12.792  31.911
  201   2HD2  ASN  26          1HD2      ASN  26  26.360  11.643  32.285
  202    H    ARG  27           H        ARG  27  29.904  12.398  27.507
  203    HA   ARG  27           HA       ARG  27  30.083  14.936  26.095
  204   1HB   ARG  27          2HB       ARG  27  32.022  12.625  26.487
  205   2HB   ARG  27          3HB       ARG  27  32.442  14.064  25.550
  206   1HG   ARG  27          2HG       ARG  27  32.183  15.518  27.428
  207   2HG   ARG  27          3HG       ARG  27  31.399  14.265  28.398
  208   1HD   ARG  27          2HD       ARG  27  33.494  12.949  28.445
  209   2HD   ARG  27          3HD       ARG  27  34.277  14.145  27.408
  210    HE   ARG  27           HE       ARG  27  34.660  15.476  29.246
  211   1HH1  ARG  27          1HH2      ARG  27  32.097  13.285  30.217
  212   2HH1  ARG  27          2HH2      ARG  27  32.102  13.907  31.858
  213   1HH2  ARG  27          1HH1      ARG  27  34.625  16.168  31.329
  214   2HH2  ARG  27          2HH1      ARG  27  33.512  15.461  32.467
  215    H    TYR  28           H        TYR  28  30.134  11.566  24.928
  216    HA   TYR  28           HA       TYR  28  30.432  12.154  22.171
  217   1HB   TYR  28          2HB       TYR  28  30.693   9.911  23.203
  218   2HB   TYR  28          3HB       TYR  28  28.955   9.813  23.422
  219    HD1  TYR  28           HD1      TYR  28  31.643  10.144  20.835
  220    HD2  TYR  28           HD2      TYR  28  27.505   9.225  21.614
  221    HE1  TYR  28           HE1      TYR  28  31.345   9.453  18.451
  222    HE2  TYR  28           HE2      TYR  28  27.211   8.553  19.228
  223    HH   TYR  28           HH       TYR  28  28.213   8.226  17.244
  224    H    TYR  29           H        TYR  29  27.353  11.557  23.966
  225    HA   TYR  29           HA       TYR  29  25.600  12.166  21.815
  226   1HB   TYR  29          2HB       TYR  29  24.889  11.052  23.904
  227   2HB   TYR  29          3HB       TYR  29  25.112  12.553  24.790
  228    HD1  TYR  29           HD1      TYR  29  23.134  10.883  22.089
  229    HD2  TYR  29           HD2      TYR  29  23.451  14.327  24.675
  230    HE1  TYR  29           HE1      TYR  29  20.902  11.657  21.329
  231    HE2  TYR  29           HE2      TYR  29  21.211  15.098  23.907
  232    HH   TYR  29           HH       TYR  29  19.349  13.335  21.412
  233    H    ALA  30           H        ALA  30  26.770  14.396  24.414
  234    HA   ALA  30           HA       ALA  30  25.470  16.715  23.593
  235   1HB   ALA  30          1HB       ALA  30  28.254  16.442  24.802
  236   2HB   ALA  30          2HB       ALA  30  27.262  17.915  24.802
  237   3HB   ALA  30          3HB       ALA  30  26.715  16.484  25.695
  238    H    ALA  31           H        ALA  31  28.376  15.334  22.135
  239    HA   ALA  31           HA       ALA  31  28.741  17.585  20.269
  240   1HB   ALA  31          1HB       ALA  31  30.202  14.940  20.643
  241   2HB   ALA  31          2HB       ALA  31  30.698  16.249  19.546
  242   3HB   ALA  31          3HB       ALA  31  30.679  16.518  21.300
  243    H    ASN  32           H        ASN  32  27.291  14.350  20.144
  244    HA   ASN  32           HA       ASN  32  27.011  14.560  17.167
  245   1HB   ASN  32          2HB       ASN  32  27.407  12.100  18.890
  246   2HB   ASN  32          3HB       ASN  32  27.203  12.116  17.145
  247   1HD2  ASN  32          2HD2      ASN  32  29.423  12.694  19.741
  248   2HD2  ASN  32          1HD2      ASN  32  30.840  12.933  18.704
  249    H    TYR  33           H        TYR  33  24.980  14.882  19.689
  250    HA   TYR  33           HA       TYR  33  22.838  13.292  19.584
  251   1HB   TYR  33          2HB       TYR  33  21.439  15.151  20.243
  252   2HB   TYR  33          3HB       TYR  33  22.985  15.196  21.056
  253    HD1  TYR  33           HD1      TYR  33  24.726  16.896  20.369
  254    HD2  TYR  33           HD2      TYR  33  20.695  16.954  18.825
  255    HE1  TYR  33           HE1      TYR  33  25.042  19.247  19.620
  256    HE2  TYR  33           HE2      TYR  33  21.006  19.304  18.102
  257    HH   TYR  33           HH       TYR  33  22.444  21.085  17.970
  258    H    TRP  34           H        TRP  34  23.406  15.713  17.077
  259    HA   TRP  34           HA       TRP  34  21.046  15.647  15.589
  260   1HB   TRP  34          2HB       TRP  34  22.417  16.392  13.719
  261   2HB   TRP  34          3HB       TRP  34  22.855  17.214  15.206
  262    HD1  TRP  34           HD1      TRP  34  25.258  16.659  16.271
  263    HE1  TRP  34           HE1      TRP  34  27.410  15.634  15.300
  264    HE3  TRP  34           HE3      TRP  34  23.376  14.793  11.879
  265    HZ2  TRP  34           HZ2      TRP  34  28.187  14.115  12.994
  266    HZ3  TRP  34           HZ3      TRP  34  24.873  13.614  10.277
  267    HH2  TRP  34           HH2      TRP  34  27.270  13.260  10.825
  268    H    GLN  35           H        GLN  35  23.572  13.151  15.609
  269    HA   GLN  35           HA       GLN  35  22.606  11.685  13.297
  270   1HB   GLN  35          2HB       GLN  35  24.258  10.679  15.657
  271   2HB   GLN  35          3HB       GLN  35  24.024   9.869  14.108
  272   1HG   GLN  35          2HG       GLN  35  25.094  11.850  12.976
  273   2HG   GLN  35          3HG       GLN  35  25.525  12.467  14.579
  274   1HE2  GLN  35          2HE2      GLN  35  26.504  10.421  16.004
  275   2HE2  GLN  35          1HE2      GLN  35  27.823   9.629  15.147
  276    H    PHE  36           H        PHE  36  21.654  11.699  16.681
  277    HA   PHE  36           HA       PHE  36  20.698   8.964  16.743
  278   1HB   PHE  36          2HB       PHE  36  20.465  11.273  18.711
  279   2HB   PHE  36          3HB       PHE  36  19.880   9.661  19.029
  280    HD1  PHE  36           HD1      PHE  36  23.046  11.505  18.163
  281    HD2  PHE  36           HD2      PHE  36  21.274   8.043  20.011
  282    HE1  PHE  36           HE1      PHE  36  25.239  10.919  19.149
  283    HE2  PHE  36           HE2      PHE  36  23.473   7.476  21.006
  284    HZ   PHE  36           HZ       PHE  36  25.438   8.905  20.606
  285    HA   PRO  37           HA       PRO  37  16.308   9.836  15.886
  286   1HB   PRO  37          2HB       PRO  37  15.171   7.590  16.887
  287   2HB   PRO  37          3HB       PRO  37  16.213   7.564  15.438
  288   1HG   PRO  37          2HG       PRO  37  17.000   6.869  18.283
  289   2HG   PRO  37          3HG       PRO  37  17.314   5.939  16.797
  290   1HD   PRO  37          2HD       PRO  37  19.145   7.658  17.885
  291   2HD   PRO  37          3HD       PRO  37  19.027   7.371  16.123
  292    H    ASP  38           H        ASP  38  15.937  11.662  17.205
  293    HA   ASP  38           HA       ASP  38  15.925  11.458  20.117
  294   1HB   ASP  38          2HB       ASP  38  15.150  13.713  20.186
  295   2HB   ASP  38          3HB       ASP  38  16.474  13.564  19.035
  296    H    GLY  39           H        GLY  39  13.526  10.897  17.657
  297   1HA   GLY  39          2HA       GLY  39  11.608   9.975  19.765
  298   2HA   GLY  39          3HA       GLY  39  11.062  10.747  18.266
  299    H    ILE  40           H        ILE  40  10.293   8.154  19.031
  300    HA   ILE  40           HA       ILE  40  11.309   6.586  16.709
  301    HB   ILE  40           HB       ILE  40  10.974   5.457  19.518
  302   1HG1  ILE  40          2HG1      ILE  40  13.424   5.536  17.689
  303   2HG1  ILE  40          3HG1      ILE  40  13.158   6.606  19.064
  304   1HG2  ILE  40          1HG2      ILE  40  11.558   3.256  18.445
  305   2HG2  ILE  40          2HG2      ILE  40  10.018   3.877  17.894
  306   3HG2  ILE  40          3HG2      ILE  40  11.451   4.038  16.854
  307   1HD1  ILE  40          1HD1      ILE  40  14.641   4.946  19.808
  308   2HD1  ILE  40          2HD1      ILE  40  13.081   4.598  20.577
  309   3HD1  ILE  40          3HD1      ILE  40  13.638   3.626  19.190
  310    H    TYR  41           H        TYR  41   9.697   6.007  15.477
  311    HA   TYR  41           HA       TYR  41   6.863   6.203  16.296
  312   1HB   TYR  41          2HB       TYR  41   7.602   6.905  14.025
  313   2HB   TYR  41          3HB       TYR  41   8.230   5.297  13.728
  314    HD1  TYR  41           HD1      TYR  41   5.150   7.318  14.138
  315    HD2  TYR  41           HD2      TYR  41   6.764   3.415  13.257
  316    HE1  TYR  41           HE1      TYR  41   2.913   6.573  13.335
  317    HE2  TYR  41           HE2      TYR  41   4.521   2.657  12.498
  318    HH   TYR  41           HH       TYR  41   1.687   4.868  12.462
  319    H    TYR  42           H        TYR  42   5.873   4.472  17.298
  320    HA   TYR  42           HA       TYR  42   6.423   1.751  16.400
  321   1HB   TYR  42          2HB       TYR  42   8.194   1.973  18.048
  322   2HB   TYR  42          3HB       TYR  42   7.080   2.625  19.237
  323    HD1  TYR  42           HD1      TYR  42   6.371   1.127  20.918
  324    HD2  TYR  42           HD2      TYR  42   7.403  -0.414  17.017
  325    HE1  TYR  42           HE1      TYR  42   5.812  -1.191  21.664
  326    HE2  TYR  42           HE2      TYR  42   6.745  -2.700  17.751
  327    HH   TYR  42           HH       TYR  42   5.832  -3.955  19.418
  328    H    GLU  43           H        GLU  43   4.890   0.224  17.065
  329    HA   GLU  43           HA       GLU  43   2.322   1.235  18.197
  330   1HB   GLU  43          2HB       GLU  43   2.643  -0.354  15.623
  331   2HB   GLU  43          3HB       GLU  43   1.115  -0.062  16.469
  332   1HG   GLU  43          2HG       GLU  43   1.456   2.394  16.206
  333   2HG   GLU  43          3HG       GLU  43   2.936   2.076  15.306
  334    H    GLY  44           H        GLY  44   2.587   0.248  20.045
  335   1HA   GLY  44          2HA       GLY  44   3.111  -2.711  20.218
  336   2HA   GLY  44          3HA       GLY  44   3.474  -1.536  21.471
  337    H    CYS  45           H        CYS  45   1.550  -0.366  22.385
  338    HA   CYS  45           HA       CYS  45  -0.201  -2.166  23.655
  339   1HB   CYS  45          2HB       CYS  45  -0.054   0.834  23.372
  340   2HB   CYS  45          3HB       CYS  45  -1.372   0.097  24.260
  341    H    SER  46           H        SER  46  -2.161  -2.861  23.387
  342    HA   SER  46           HA       SER  46  -4.082  -1.750  21.424
  343   1HB   SER  46          2HB       SER  46  -4.527  -4.036  20.544
  344   2HB   SER  46          3HB       SER  46  -2.926  -3.408  20.122
  345    HG   SER  46           HG       SER  46  -2.817  -5.579  20.833
  346    H    GLU  47           H        GLU  47  -3.559  -4.366  23.786
  347    HA   GLU  47           HA       GLU  47  -6.057  -3.642  25.241
  348   1HB   GLU  47          2HB       GLU  47  -6.626  -6.014  25.452
  349   2HB   GLU  47          3HB       GLU  47  -6.607  -5.508  23.764
  350   1HG   GLU  47          2HG       GLU  47  -4.385  -6.563  23.447
  351   2HG   GLU  47          3HG       GLU  47  -4.334  -7.001  25.154
  352    H    ALA  48           H        ALA  48  -6.174  -4.502  27.420
  353    HA   ALA  48           HA       ALA  48  -4.114  -3.710  29.024
  354   1HB   ALA  48          1HB       ALA  48  -6.463  -3.910  29.692
  355   2HB   ALA  48          2HB       ALA  48  -6.329  -5.686  29.681
  356   3HB   ALA  48          3HB       ALA  48  -5.402  -4.726  30.854
  357    H    ASN  49           H        ASN  49  -4.349  -6.902  27.647
  358    HA   ASN  49           HA       ASN  49  -2.566  -8.306  29.430
  359   1HB   ASN  49          2HB       ASN  49  -3.390  -8.783  26.535
  360   2HB   ASN  49          3HB       ASN  49  -2.308  -9.852  27.426
  361   1HD2  ASN  49          2HD2      ASN  49  -5.516  -9.597  26.560
  362   2HD2  ASN  49          1HD2      ASN  49  -6.174 -10.478  27.940
  363    H    VAL  50           H        VAL  50  -1.918  -6.065  26.782
  364    HA   VAL  50           HA       VAL  50   0.948  -6.658  26.568
  365    HB   VAL  50           HB       VAL  50  -0.609  -4.180  25.707
  366   1HG1  VAL  50          1HG1      VAL  50   1.365  -3.809  24.214
  367   2HG1  VAL  50          2HG1      VAL  50   1.788  -3.681  25.920
  368   3HG1  VAL  50          3HG1      VAL  50   2.203  -5.154  25.012
  369   1HG2  VAL  50          1HG2      VAL  50  -0.446  -5.138  23.432
  370   2HG2  VAL  50          2HG2      VAL  50   0.268  -6.621  24.106
  371   3HG2  VAL  50          3HG2      VAL  50  -1.406  -6.165  24.497
  372    H    THR  51           H        THR  51   2.209  -6.373  28.349
  373    HA   THR  51           HA       THR  51   1.602  -4.298  30.356
  374    HB   THR  51           HB       THR  51   3.414  -5.278  31.633
  375    HG1  THR  51           1HG      THR  51   4.452  -7.153  30.734
  376   1HG2  THR  51          1HG2      THR  51   1.800  -7.553  30.418
  377   2HG2  THR  51          2HG2      THR  51   2.587  -7.512  32.007
  378   3HG2  THR  51          3HG2      THR  51   1.208  -6.447  31.680
  379    H    LYS  52           H        LYS  52   3.599  -3.093  31.269
  380    HA   LYS  52           HA       LYS  52   4.865  -1.488  29.214
  381   1HB   LYS  52          2HB       LYS  52   4.386  -0.645  31.504
  382   2HB   LYS  52          3HB       LYS  52   5.632  -1.725  32.157
  383   1HG   LYS  52          2HG       LYS  52   7.366  -0.604  30.856
  384   2HG   LYS  52          3HG       LYS  52   6.156   0.327  29.959
  385   1HD   LYS  52          2HD       LYS  52   5.498   1.472  32.086
  386   2HD   LYS  52          3HD       LYS  52   6.808   0.602  32.924
  387   1HE   LYS  52          2HE       LYS  52   8.461   1.580  31.347
  388   2HE   LYS  52          3HE       LYS  52   7.162   2.403  30.478
  389   1HZ   LYS  52          1HZ       LYS  52   7.956   2.940  33.289
  390   2HZ   LYS  52          2HZ       LYS  52   8.216   3.912  31.996
  391   3HZ   LYS  52          3HZ       LYS  52   6.695   3.659  32.531
  392    H    GLU  53           H        GLU  53   6.094  -4.084  31.314
  393    HA   GLU  53           HA       GLU  53   8.698  -4.351  30.308
  394   1HB   GLU  53          2HB       GLU  53   6.877  -6.689  31.042
  395   2HB   GLU  53          3HB       GLU  53   8.634  -6.663  31.001
  396   1HG   GLU  53          2HG       GLU  53   8.367  -6.403  33.227
  397   2HG   GLU  53          3HG       GLU  53   8.350  -4.702  32.788
  398    H    MET  54           H        MET  54   5.759  -5.902  28.971
  399    HA   MET  54           HA       MET  54   6.915  -7.061  26.637
  400   1HB   MET  54          2HB       MET  54   4.124  -6.037  27.211
  401   2HB   MET  54          3HB       MET  54   4.586  -6.741  25.660
  402   1HG   MET  54          2HG       MET  54   5.230  -8.832  26.718
  403   2HG   MET  54          3HG       MET  54   4.950  -8.158  28.319
  404   1HE   MET  54          1HE       MET  54   3.336  -9.495  25.005
  405   2HE   MET  54          2HE       MET  54   1.599  -9.251  25.288
  406   3HE   MET  54          3HE       MET  54   2.653  -7.851  25.010
  407    H    LEU  55           H        LEU  55   5.299  -3.822  26.914
  408    HA   LEU  55           HA       LEU  55   5.784  -3.011  24.272
  409   1HB   LEU  55          2HB       LEU  55   4.212  -1.914  25.742
  410   2HB   LEU  55          3HB       LEU  55   5.498  -1.300  26.778
  411    HG   LEU  55           HG       LEU  55   5.705  -0.629  23.851
  412   1HD1  LEU  55          1HD1      LEU  55   3.324  -0.315  24.215
  413   2HD1  LEU  55          2HD1      LEU  55   3.658   0.692  25.646
  414   3HD1  LEU  55          3HD1      LEU  55   4.138   1.244  24.024
  415   1HD2  LEU  55          1HD2      LEU  55   7.350   0.304  25.494
  416   2HD2  LEU  55          2HD2      LEU  55   6.422   1.549  24.677
  417   3HD2  LEU  55          3HD2      LEU  55   6.016   1.099  26.346
  418    H    VAL  56           H        VAL  56   7.852  -2.241  27.110
  419    HA   VAL  56           HA       VAL  56   9.721  -0.651  25.674
  420    HB   VAL  56           HB       VAL  56  10.227  -2.250  28.218
  421   1HG1  VAL  56          1HG1      VAL  56  11.979  -0.543  28.648
  422   2HG1  VAL  56          2HG1      VAL  56  12.351  -1.435  27.171
  423   3HG1  VAL  56          3HG1      VAL  56  11.666   0.206  27.076
  424   1HG2  VAL  56          1HG2      VAL  56   9.755  -0.085  29.354
  425   2HG2  VAL  56          2HG2      VAL  56   9.324   0.630  27.781
  426   3HG2  VAL  56          3HG2      VAL  56   8.337  -0.642  28.467
  427    H    THR  57           H        THR  57   9.938  -4.114  26.500
  428    HA   THR  57           HA       THR  57  12.395  -4.668  25.125
  429    HB   THR  57           HB       THR  57  10.067  -6.585  25.617
  430    HG1  THR  57           1HG      THR  57  10.557  -5.903  27.568
  431   1HG2  THR  57          1HG2      THR  57  11.781  -7.558  24.143
  432   2HG2  THR  57          2HG2      THR  57  13.063  -7.066  25.277
  433   3HG2  THR  57          3HG2      THR  57  11.868  -8.293  25.748
  434    H    SER  58           H        SER  58   8.990  -5.024  24.019
  435    HA   SER  58           HA       SER  58   9.615  -5.994  21.403
  436   1HB   SER  58          2HB       SER  58   7.148  -4.478  22.297
  437   2HB   SER  58          3HB       SER  58   7.331  -5.428  20.808
  438    HG   SER  58           HG       SER  58   7.325  -6.320  23.492
  439    H    CYS  59           H        CYS  59   9.167  -2.662  22.587
  440    HA   CYS  59           HA       CYS  59   9.399  -1.281  20.123
  441   1HB   CYS  59          2HB       CYS  59   8.585  -0.248  22.138
  442   2HB   CYS  59          3HB       CYS  59  10.062  -0.586  23.012
  443    H    VAL  60           H        VAL  60  12.034  -2.167  22.413
  444    HA   VAL  60           HA       VAL  60  14.232  -1.275  20.814
  445    HB   VAL  60           HB       VAL  60  13.980  -3.524  22.829
  446   1HG1  VAL  60          1HG1      VAL  60  16.536  -2.515  21.540
  447   2HG1  VAL  60          2HG1      VAL  60  16.442  -3.554  22.976
  448   3HG1  VAL  60          3HG1      VAL  60  15.869  -4.159  21.424
  449   1HG2  VAL  60          1HG2      VAL  60  15.389  -0.835  22.979
  450   2HG2  VAL  60          2HG2      VAL  60  13.753  -1.141  23.626
  451   3HG2  VAL  60          3HG2      VAL  60  15.136  -2.005  24.302
  452    H    ASN  61           H        ASN  61  12.652  -4.476  20.849
  453    HA   ASN  61           HA       ASN  61  14.162  -5.660  18.726
  454   1HB   ASN  61          2HB       ASN  61  11.440  -6.229  19.950
  455   2HB   ASN  61          3HB       ASN  61  12.004  -7.113  18.538
  456   1HD2  ASN  61          2HD2      ASN  61  12.766  -6.450  21.977
  457   2HD2  ASN  61          1HD2      ASN  61  13.800  -7.874  22.118
  458    H    ALA  62           H        ALA  62  11.069  -3.804  18.531
  459    HA   ALA  62           HA       ALA  62  10.728  -4.057  15.706
  460   1HB   ALA  62          1HB       ALA  62   9.170  -2.179  16.017
  461   2HB   ALA  62          2HB       ALA  62   8.954  -3.405  17.277
  462   3HB   ALA  62          3HB       ALA  62   9.808  -1.890  17.649
  463    H    THR  63           H        THR  63  12.284  -1.533  17.688
  464    HA   THR  63           HA       THR  63  13.158   0.214  15.651
  465    HB   THR  63           HB       THR  63  14.670  -0.385  18.221
  466    HG1  THR  63           1HG      THR  63  12.593   0.187  18.724
  467   1HG2  THR  63          1HG2      THR  63  15.383   1.966  18.008
  468   2HG2  THR  63          2HG2      THR  63  15.913   1.025  16.603
  469   3HG2  THR  63          3HG2      THR  63  14.508   2.108  16.470
  470    H    GLN  64           H        GLN  64  14.998  -2.552  17.055
  471    HA   GLN  64           HA       GLN  64  17.228  -2.553  15.389
  472   1HB   GLN  64          2HB       GLN  64  15.704  -4.824  16.697
  473   2HB   GLN  64          3HB       GLN  64  17.163  -5.104  15.740
  474   1HG   GLN  64          2HG       GLN  64  18.487  -3.703  17.187
  475   2HG   GLN  64          3HG       GLN  64  17.049  -3.194  18.087
  476   1HE2  GLN  64          2HE2      GLN  64  18.492  -3.935  19.943
  477   2HE2  GLN  64          1HE2      GLN  64  18.384  -5.644  20.360
  478    H    ALA  65           H        ALA  65  14.241  -4.470  14.803
  479    HA   ALA  65           HA       ALA  65  14.880  -5.440  12.276
  480   1HB   ALA  65          1HB       ALA  65  13.087  -6.302  13.713
  481   2HB   ALA  65          2HB       ALA  65  12.146  -4.814  13.462
  482   3HB   ALA  65          3HB       ALA  65  12.466  -5.906  12.098
  483    H    ALA  66           H        ALA  66  13.163  -2.403  13.063
  484    HA   ALA  66           HA       ALA  66  12.537  -1.739  10.362
  485   1HB   ALA  66          1HB       ALA  66  11.850   0.438  11.337
  486   2HB   ALA  66          2HB       ALA  66  11.214  -0.956  12.227
  487   3HB   ALA  66          3HB       ALA  66  12.596  -0.044  12.880
  488    H    ASN  67           H        ASN  67  15.380  -0.900  12.326
  489    HA   ASN  67           HA       ASN  67  16.370   0.859  10.096
  490   1HB   ASN  67          2HB       ASN  67  17.017   1.227  13.032
  491   2HB   ASN  67          3HB       ASN  67  17.294   2.348  11.713
  492   1HD2  ASN  67          2HD2      ASN  67  14.948   1.011  13.903
  493   2HD2  ASN  67          1HD2      ASN  67  13.737   2.266  13.697
  494    H    GLN  68           H        GLN  68  16.909  -1.836  10.064
  495    HA   GLN  68           HA       GLN  68  19.307  -2.778  11.171
  496   1HB   GLN  68          2HB       GLN  68  18.023  -3.392   8.483
  497   2HB   GLN  68          3HB       GLN  68  19.416  -4.277   9.121
  498   1HG   GLN  68          2HG       GLN  68  18.147  -5.005  11.076
  499   2HG   GLN  68          3HG       GLN  68  16.765  -4.027  10.585
  500   1HE2  GLN  68          2HE2      GLN  68  15.171  -5.092   9.446
  501   2HE2  GLN  68          1HE2      GLN  68  15.444  -6.599   8.559
  502    H    ALA  69           H        ALA  69  18.985  -0.959   8.126
  503    HA   ALA  69           HA       ALA  69  21.636  -1.057   7.204
  504   1HB   ALA  69          1HB       ALA  69  19.564   1.169   6.934
  505   2HB   ALA  69          2HB       ALA  69  20.997   0.960   5.911
  506   3HB   ALA  69          3HB       ALA  69  19.716  -0.264   5.889
  507    H    GLU  70           H        GLU  70  20.215   1.245   9.503
  508    HA   GLU  70           HA       GLU  70  22.531   2.957   9.838
  509   1HB   GLU  70          2HB       GLU  70  20.082   2.455  11.580
  510   2HB   GLU  70          3HB       GLU  70  21.289   3.687  11.913
  511   1HG   GLU  70          2HG       GLU  70  19.764   3.615   9.272
  512   2HG   GLU  70          3HG       GLU  70  19.121   4.390  10.705
  513    H    PHE  71           H        PHE  71  21.159   0.337  11.895
  514    HA   PHE  71           HA       PHE  71  23.308   0.317  13.776
  515   1HB   PHE  71          2HB       PHE  71  21.383  -1.909  13.010
  516   2HB   PHE  71          3HB       PHE  71  22.437  -1.926  14.421
  517    HD1  PHE  71           HD1      PHE  71  22.256   0.564  15.765
  518    HD2  PHE  71           HD2      PHE  71  19.137  -1.539  13.632
  519    HE1  PHE  71           HE1      PHE  71  20.541   1.759  17.080
  520    HE2  PHE  71           HE2      PHE  71  17.444  -0.285  14.916
  521    HZ   PHE  71           HZ       PHE  71  18.135   1.362  16.630
  522    H    SER  72           H        SER  72  23.037  -1.337  10.673
  523    HA   SER  72           HA       SER  72  25.271  -3.106  10.971
  524   1HB   SER  72          2HB       SER  72  24.177  -1.801   8.446
  525   2HB   SER  72          3HB       SER  72  25.352  -3.126   8.493
  526    HG   SER  72           HG       SER  72  22.683  -3.144   9.487
  527    H    ARG  73           H        ARG  73  25.177   0.141   9.460
  528    HA   ARG  73           HA       ARG  73  28.056   0.215   9.070
  529   1HB   ARG  73          2HB       ARG  73  27.759   2.429   8.213
  530   2HB   ARG  73          3HB       ARG  73  26.565   1.319   7.547
  531   1HG   ARG  73          2HG       ARG  73  24.933   2.319   9.311
  532   2HG   ARG  73          3HG       ARG  73  26.167   3.567   9.535
  533   1HD   ARG  73          2HD       ARG  73  24.554   4.411   7.989
  534   2HD   ARG  73          3HD       ARG  73  26.037   4.056   7.082
  535    HE   ARG  73           HE       ARG  73  24.074   1.863   7.156
  536   1HH1  ARG  73          1HH1      ARG  73  24.845   4.770   5.362
  537   2HH1  ARG  73          2HH1      ARG  73  24.122   4.164   3.893
  538   1HH2  ARG  73          1HH2      ARG  73  23.284   1.110   5.240
  539   2HH2  ARG  73          2HH2      ARG  73  23.232   2.154   3.844
  540    H    GLU  74           H        GLU  74  25.994   1.861  11.408
  541    HA   GLU  74           HA       GLU  74  28.312   3.059  12.828
  542   1HB   GLU  74          2HB       GLU  74  25.319   3.160  13.398
  543   2HB   GLU  74          3HB       GLU  74  26.540   3.962  14.376
  544   1HG   GLU  74          2HG       GLU  74  25.946   4.566  11.467
  545   2HG   GLU  74          3HG       GLU  74  25.502   5.535  12.860
  546    H    LYS  75           H        LYS  75  28.745   0.511  12.838
  547    HA   LYS  75           HA       LYS  75  28.688  -0.200  15.746
  548   1HB   LYS  75          2HB       LYS  75  26.829  -1.386  14.779
  549   2HB   LYS  75          3HB       LYS  75  27.852  -2.116  13.534
  550   1HG   LYS  75          2HG       LYS  75  29.109  -3.337  15.292
  551   2HG   LYS  75          3HG       LYS  75  28.110  -2.588  16.544
  552   1HD   LYS  75          2HD       LYS  75  27.078  -4.399  14.313
  553   2HD   LYS  75          3HD       LYS  75  27.442  -4.921  15.964
  554   1HE   LYS  75          2HE       LYS  75  25.744  -3.316  16.841
  555   2HE   LYS  75          3HE       LYS  75  25.341  -2.851  15.181
  556   1HZ   LYS  75          1HZ       LYS  75  25.043  -5.589  16.302
  557   2HZ   LYS  75          2HZ       LYS  75  23.819  -4.546  16.031
  558   3HZ   LYS  75          3HZ       LYS  75  24.662  -5.157  14.772
  559    H    GLN  76           H        GLN  76  29.968  -1.295  12.642
  560    HA   GLN  76           HA       GLN  76  31.913  -3.016  13.348
  561   1HB   GLN  76          2HB       GLN  76  32.171  -0.951  11.129
  562   2HB   GLN  76          3HB       GLN  76  33.104  -2.442  11.252
  563   1HG   GLN  76          2HG       GLN  76  30.081  -2.252  10.874
  564   2HG   GLN  76          3HG       GLN  76  31.262  -2.671   9.645
  565   1HE2  GLN  76          2HE2      GLN  76  32.448  -4.781   9.872
  566   2HE2  GLN  76          1HE2      GLN  76  31.676  -6.044  10.825
  567    H    ASP  77           H        ASP  77  32.552   0.490  13.271
  568    HA   ASP  77           HA       ASP  77  34.642   0.083  15.336
  569   1HB   ASP  77          2HB       ASP  77  35.811   0.234  13.138
  570   2HB   ASP  77          3HB       ASP  77  35.076   1.814  12.871
  571    H    SER  78           H        SER  78  32.145   0.665  15.898
  572    HA   SER  78           HA       SER  78  32.045   3.567  16.665
  573   1HB   SER  78          2HB       SER  78  29.704   2.052  15.501
  574   2HB   SER  78          3HB       SER  78  29.821   3.785  15.809
  575    HG   SER  78           HG       SER  78  31.474   3.835  14.153
  576    H    LYS  79           H        LYS  79  32.662   1.357  18.353
  577    HA   LYS  79           HA       LYS  79  30.456   0.229  19.747
  578   1HB   LYS  79          2HB       LYS  79  33.229   0.787  20.877
  579   2HB   LYS  79          3HB       LYS  79  32.057  -0.363  21.509
  580   1HG   LYS  79          2HG       LYS  79  33.546  -0.511  18.855
  581   2HG   LYS  79          3HG       LYS  79  33.779  -1.534  20.256
  582   1HD   LYS  79          2HD       LYS  79  31.316  -1.462  18.455
  583   2HD   LYS  79          3HD       LYS  79  32.556  -2.699  18.461
  584   1HE   LYS  79          2HE       LYS  79  30.721  -2.081  20.824
  585   2HE   LYS  79          3HE       LYS  79  30.437  -3.348  19.630
  586   1HZ   LYS  79          1HZ       LYS  79  32.528  -4.392  20.314
  587   2HZ   LYS  79          2HZ       LYS  79  32.790  -3.238  21.443
  588   3HZ   LYS  79          3HZ       LYS  79  31.521  -4.253  21.587
  589    H    LEU  80           H        LEU  80  32.235   3.176  20.585
  590    HA   LEU  80           HA       LEU  80  30.691   3.944  22.864
  591   1HB   LEU  80          2HB       LEU  80  32.811   4.977  22.317
  592   2HB   LEU  80          3HB       LEU  80  32.166   5.621  20.807
  593    HG   LEU  80           HG       LEU  80  30.697   7.153  22.010
  594   1HD1  LEU  80          1HD1      LEU  80  31.855   5.997  24.579
  595   2HD1  LEU  80          2HD1      LEU  80  30.845   7.453  24.461
  596   3HD1  LEU  80          3HD1      LEU  80  30.164   5.877  24.054
  597   1HD2  LEU  80          1HD2      LEU  80  33.552   7.156  23.088
  598   2HD2  LEU  80          2HD2      LEU  80  33.006   7.860  21.549
  599   3HD2  LEU  80          3HD2      LEU  80  32.461   8.550  23.088
  600    H    HIS  81           H        HIS  81  30.089   4.646  19.363
  601    HA   HIS  81           HA       HIS  81  27.700   6.132  19.802
  602   1HB   HIS  81          2HB       HIS  81  29.008   5.928  17.621
  603   2HB   HIS  81          3HB       HIS  81  28.195   4.394  17.372
  604    HD1  HIS  81           HD1      HIS  81  27.479   6.278  15.143
  605    HD2  HIS  81           HD2      HIS  81  25.598   6.546  18.943
  606    HE1  HIS  81           HE1      HIS  81  25.339   7.643  14.831
  607    HE2  HIS  81           HE2      HIS  81  24.197   7.793  17.140
  608    H    GLN  82           H        GLN  82  28.063   2.618  19.080
  609    HA   GLN  82           HA       GLN  82  25.382   1.807  19.348
  610   1HB   GLN  82          2HB       GLN  82  27.948   0.365  20.091
  611   2HB   GLN  82          3HB       GLN  82  26.367  -0.397  20.224
  612   1HG   GLN  82          2HG       GLN  82  27.389   0.800  17.625
  613   2HG   GLN  82          3HG       GLN  82  27.678  -0.869  18.108
  614   1HE2  GLN  82          2HE2      GLN  82  25.711   0.814  16.112
  615   2HE2  GLN  82          1HE2      GLN  82  24.273  -0.210  16.238
  616    H    ARG  83           H        ARG  83  27.756   1.887  22.042
  617    HA   ARG  83           HA       ARG  83  26.105   1.140  24.200
  618   1HB   ARG  83          2HB       ARG  83  28.433   3.092  24.010
  619   2HB   ARG  83          3HB       ARG  83  27.677   2.690  25.551
  620   1HG   ARG  83          2HG       ARG  83  28.392   0.450  25.497
  621   2HG   ARG  83          3HG       ARG  83  28.678   0.464  23.756
  622   1HD   ARG  83          2HD       ARG  83  30.788   0.464  25.052
  623   2HD   ARG  83          3HD       ARG  83  30.617   1.852  23.972
  624    HE   ARG  83           HE       ARG  83  29.780   2.290  26.777
  625   1HH1  ARG  83          1HH2      ARG  83  32.538   2.657  24.570
  626   2HH1  ARG  83          2HH2      ARG  83  33.125   4.001  25.563
  627   1HH2  ARG  83          1HH1      ARG  83  30.765   3.993  27.901
  628   2HH2  ARG  83          2HH1      ARG  83  32.260   4.637  27.207
  629    H    VAL  84           H        VAL  84  26.694   4.482  23.191
  630    HA   VAL  84           HA       VAL  84  24.767   5.712  24.944
  631    HB   VAL  84           HB       VAL  84  25.988   6.752  22.363
  632   1HG1  VAL  84          1HG1      VAL  84  25.560   8.976  23.160
  633   2HG1  VAL  84          2HG1      VAL  84  24.005   8.119  23.213
  634   3HG1  VAL  84          3HG1      VAL  84  24.937   8.390  24.698
  635   1HG2  VAL  84          1HG2      VAL  84  27.708   6.141  24.085
  636   2HG2  VAL  84          2HG2      VAL  84  27.602   7.883  23.854
  637   3HG2  VAL  84          3HG2      VAL  84  26.837   7.116  25.270
  638    H    LEU  85           H        LEU  85  24.563   4.880  21.468
  639    HA   LEU  85           HA       LEU  85  21.959   5.784  20.928
  640   1HB   LEU  85          2HB       LEU  85  23.670   5.176  19.274
  641   2HB   LEU  85          3HB       LEU  85  23.517   3.475  19.717
  642    HG   LEU  85           HG       LEU  85  21.219   3.439  18.818
  643   1HD1  LEU  85          1HD1      LEU  85  20.417   5.351  17.442
  644   2HD1  LEU  85          2HD1      LEU  85  20.533   5.779  19.150
  645   3HD1  LEU  85          3HD1      LEU  85  21.788   6.332  18.010
  646   1HD2  LEU  85          1HD2      LEU  85  23.305   4.628  16.926
  647   2HD2  LEU  85          2HD2      LEU  85  23.141   2.912  17.359
  648   3HD2  LEU  85          3HD2      LEU  85  21.862   3.718  16.433
  649    H    TRP  86           H        TRP  86  22.921   2.496  22.036
  650    HA   TRP  86           HA       TRP  86  20.237   1.519  22.155
  651   1HB   TRP  86          2HB       TRP  86  22.821   0.598  23.427
  652   2HB   TRP  86          3HB       TRP  86  21.283  -0.196  23.783
  653    HD1  TRP  86           HD1      TRP  86  24.010  -0.542  21.428
  654    HE1  TRP  86           HE1      TRP  86  23.343  -1.464  19.147
  655    HE3  TRP  86           HE3      TRP  86  18.931  -0.430  22.032
  656    HZ2  TRP  86           HZ2      TRP  86  20.848  -1.752  17.628
  657    HZ3  TRP  86           HZ3      TRP  86  17.419  -0.949  20.146
  658    HH2  TRP  86           HH2      TRP  86  18.390  -1.459  17.891
  659    H    ARG  87           H        ARG  87  22.178   3.044  24.738
  660    HA   ARG  87           HA       ARG  87  20.099   2.924  26.734
  661   1HB   ARG  87          2HB       ARG  87  22.318   3.495  27.427
  662   2HB   ARG  87          3HB       ARG  87  22.390   4.850  26.308
  663   1HG   ARG  87          2HG       ARG  87  22.087   5.638  28.598
  664   2HG   ARG  87          3HG       ARG  87  20.705   6.084  27.610
  665   1HD   ARG  87          2HD       ARG  87  19.461   4.088  28.574
  666   2HD   ARG  87          3HD       ARG  87  20.830   3.813  29.650
  667    HE   ARG  87           HE       ARG  87  18.747   5.869  29.883
  668   1HH1  ARG  87          1HH2      ARG  87  22.052   5.249  30.892
  669   2HH1  ARG  87          2HH2      ARG  87  22.017   6.628  31.971
  670   1HH2  ARG  87          2HH1      ARG  87  18.686   7.280  31.351
  671   2HH2  ARG  87          1HH1      ARG  87  20.059   7.627  32.418
  672    H    LEU  88           H        LEU  88  20.780   5.477  24.338
  673    HA   LEU  88           HA       LEU  88  18.588   7.199  24.881
  674   1HB   LEU  88          2HB       LEU  88  20.440   7.880  23.564
  675   2HB   LEU  88          3HB       LEU  88  20.261   6.580  22.424
  676    HG   LEU  88           HG       LEU  88  19.747   8.858  21.615
  677   1HD1  LEU  88          1HD1      LEU  88  17.324   7.091  21.280
  678   2HD1  LEU  88          2HD1      LEU  88  18.044   8.245  20.155
  679   3HD1  LEU  88          3HD1      LEU  88  18.898   6.744  20.529
  680   1HD2  LEU  88          1HD2      LEU  88  17.213   8.654  23.270
  681   2HD2  LEU  88          2HD2      LEU  88  18.558   9.795  23.498
  682   3HD2  LEU  88          3HD2      LEU  88  17.571   9.863  22.027
  683    H    ILE  89           H        ILE  89  18.646   4.513  22.469
  684    HA   ILE  89           HA       ILE  89  15.901   4.626  21.750
  685    HB   ILE  89           HB       ILE  89  17.869   2.319  21.806
  686   1HG1  ILE  89          2HG1      ILE  89  16.643   3.791  19.426
  687   2HG1  ILE  89          3HG1      ILE  89  18.120   4.342  20.200
  688   1HG2  ILE  89          1HG2      ILE  89  16.227   1.077  20.353
  689   2HG2  ILE  89          2HG2      ILE  89  15.648   1.292  21.992
  690   3HG2  ILE  89          3HG2      ILE  89  15.020   2.325  20.696
  691   1HD1  ILE  89          1HD1      ILE  89  19.198   2.146  19.728
  692   2HD1  ILE  89          2HD1      ILE  89  17.736   1.649  18.846
  693   3HD1  ILE  89          3HD1      ILE  89  18.692   3.027  18.271
  694    H    LYS  90           H        LYS  90  17.399   2.598  24.302
  695    HA   LYS  90           HA       LYS  90  14.960   1.510  25.321
  696   1HB   LYS  90          2HB       LYS  90  17.692   1.969  26.599
  697   2HB   LYS  90          3HB       LYS  90  16.373   1.140  27.435
  698   1HG   LYS  90          2HG       LYS  90  16.284  -0.614  25.795
  699   2HG   LYS  90          3HG       LYS  90  17.419   0.219  24.722
  700   1HD   LYS  90          2HD       LYS  90  19.200   0.009  26.446
  701   2HD   LYS  90          3HD       LYS  90  18.060  -0.855  27.504
  702   1HE   LYS  90          2HE       LYS  90  17.774  -2.596  25.738
  703   2HE   LYS  90          3HE       LYS  90  18.934  -1.740  24.713
  704   1HZ   LYS  90          1HZ       LYS  90  19.549  -2.917  27.375
  705   2HZ   LYS  90          2HZ       LYS  90  20.003  -3.544  25.940
  706   3HZ   LYS  90          3HZ       LYS  90  20.626  -2.120  26.438
  707    H    GLU  91           H        GLU  91  16.666   4.481  26.354
  708    HA   GLU  91           HA       GLU  91  14.920   5.267  28.414
  709   1HB   GLU  91          2HB       GLU  91  17.172   6.260  27.686
  710   2HB   GLU  91          3HB       GLU  91  16.288   7.129  26.434
  711   1HG   GLU  91          2HG       GLU  91  16.604   8.603  28.268
  712   2HG   GLU  91          3HG       GLU  91  14.902   8.182  28.233
  713    H    ILE  92           H        ILE  92  14.687   6.081  24.912
  714    HA   ILE  92           HA       ILE  92  12.159   7.417  25.009
  715    HB   ILE  92           HB       ILE  92  13.517   5.903  22.750
  716   1HG1  ILE  92          2HG1      ILE  92  13.191   8.893  23.250
  717   2HG1  ILE  92          3HG1      ILE  92  14.622   7.992  23.724
  718   1HG2  ILE  92          1HG2      ILE  92  11.045   7.702  22.650
  719   2HG2  ILE  92          2HG2      ILE  92  11.935   7.133  21.228
  720   3HG2  ILE  92          3HG2      ILE  92  11.109   5.969  22.245
  721   1HD1  ILE  92          1HD1      ILE  92  15.129   9.039  21.655
  722   2HD1  ILE  92          2HD1      ILE  92  14.947   7.301  21.325
  723   3HD1  ILE  92          3HD1      ILE  92  13.654   8.440  20.885
  724    H    CYS  93           H        CYS  93  12.847   3.959  24.292
  725    HA   CYS  93           HA       CYS  93  10.147   3.107  24.038
  726   1HB   CYS  93          2HB       CYS  93  12.659   1.652  24.909
  727   2HB   CYS  93          3HB       CYS  93  11.126   0.838  24.666
  728    H    SER  94           H        SER  94  12.153   3.320  26.977
  729    HA   SER  94           HA       SER  94  10.247   2.287  28.865
  730   1HB   SER  94          2HB       SER  94  12.568   4.196  29.314
  731   2HB   SER  94          3HB       SER  94  11.673   3.320  30.567
  732    HG   SER  94           HG       SER  94  13.293   2.263  28.494
  733    H    ALA  95           H        ALA  95  10.917   5.590  27.773
  734    HA   ALA  95           HA       ALA  95   9.415   6.987  29.722
  735   1HB   ALA  95          1HB       ALA  95  10.096   7.786  26.859
  736   2HB   ALA  95          2HB       ALA  95   9.546   8.885  28.141
  737   3HB   ALA  95          3HB       ALA  95  11.099   8.048  28.303
  738    H    LYS  96           H        LYS  96   8.372   6.068  26.427
  739    HA   LYS  96           HA       LYS  96   5.742   7.184  26.606
  740   1HB   LYS  96          2HB       LYS  96   5.237   5.900  24.578
  741   2HB   LYS  96          3HB       LYS  96   6.754   6.791  24.479
  742   1HG   LYS  96          2HG       LYS  96   8.023   4.683  24.897
  743   2HG   LYS  96          3HG       LYS  96   6.500   3.806  25.030
  744   1HD   LYS  96          2HD       LYS  96   7.412   3.404  22.858
  745   2HD   LYS  96          3HD       LYS  96   5.956   4.393  22.684
  746   1HE   LYS  96          2HE       LYS  96   7.419   6.432  22.466
  747   2HE   LYS  96          3HE       LYS  96   8.850   5.400  22.580
  748   1HZ   LYS  96          1HZ       LYS  96   8.135   4.278  20.554
  749   2HZ   LYS  96          2HZ       LYS  96   6.750   5.154  20.484
  750   3HZ   LYS  96          3HZ       LYS  96   8.180   5.882  20.239
  751    H    HIS  97           H        HIS  97   3.903   6.557  27.425
  752    HA   HIS  97           HA       HIS  97   3.517   3.832  28.531
  753   1HB   HIS  97          2HB       HIS  97   2.604   4.957  30.523
  754   2HB   HIS  97          3HB       HIS  97   4.262   5.443  30.155
  755    HD1  HIS  97           HD1      HIS  97   1.408   7.290  28.344
  756    HD2  HIS  97           HD2      HIS  97   4.114   7.651  31.577
  757    HE1  HIS  97           HE1      HIS  97   1.309   9.750  29.117
  758    HE2  HIS  97           HE2      HIS  97   2.962   9.965  31.080
  759    H    CYS  98           H        CYS  98   1.395   3.077  28.879
  760    HA   CYS  98           HA       CYS  98  -0.565   4.132  26.888
  761   1HB   CYS  98          2HB       CYS  98  -0.261   1.337  28.006
  762   2HB   CYS  98          3HB       CYS  98  -1.342   1.842  26.712
  763    H    ASP  99           H        ASP  99  -2.517   4.781  27.468
  764    HA   ASP  99           HA       ASP  99  -3.088   5.453  30.132
  765   1HB   ASP  99          2HB       ASP  99  -5.136   6.362  29.318
  766   2HB   ASP  99          3HB       ASP  99  -3.868   6.682  28.146
  767    H    PHE 100           H        PHE 100  -4.135   2.562  28.387
  768    HA   PHE 100           HA       PHE 100  -6.198   1.854  30.296
  769   1HB   PHE 100          2HB       PHE 100  -6.355  -0.244  29.095
  770   2HB   PHE 100          3HB       PHE 100  -6.409   1.144  28.037
  771    HD1  PHE 100           HD1      PHE 100  -5.235   1.006  26.024
  772    HD2  PHE 100           HD2      PHE 100  -3.896  -1.370  29.370
  773    HE1  PHE 100           HE1      PHE 100  -3.601  -0.136  24.567
  774    HE2  PHE 100           HE2      PHE 100  -2.213  -2.461  27.915
  775    HZ   PHE 100           HZ       PHE 100  -2.061  -1.873  25.528
  776    H    TRP 101           H        TRP 101  -2.777   1.559  30.573
  777    HA   TRP 101           HA       TRP 101  -2.579  -0.916  31.988
  778   1HB   TRP 101          2HB       TRP 101  -0.878   1.600  32.099
  779   2HB   TRP 101          3HB       TRP 101  -0.484   0.126  32.963
  780    HD1  TRP 101           HD1      TRP 101  -1.463  -1.693  30.267
  781    HE1  TRP 101           HE1      TRP 101   0.342  -2.114  28.538
  782    HE3  TRP 101           HE3      TRP 101   1.749   2.108  31.516
  783    HZ2  TRP 101           HZ2      TRP 101   2.799  -0.890  27.674
  784    HZ3  TRP 101           HZ3      TRP 101   3.867   2.410  30.236
  785    HH2  TRP 101           HH2      TRP 101   4.381   0.939  28.290
  786    H    LEU 102           H        LEU 102  -2.590  -1.522  34.021
  787    HA   LEU 102           HA       LEU 102  -3.692   0.193  36.149
  788   1HB   LEU 102          2HB       LEU 102  -5.619  -1.125  36.472
  789   2HB   LEU 102          3HB       LEU 102  -5.613  -0.660  34.785
  790    HG   LEU 102           HG       LEU 102  -4.737  -3.409  35.801
  791   1HD1  LEU 102          1HD1      LEU 102  -7.406  -2.528  34.633
  792   2HD1  LEU 102          2HD1      LEU 102  -6.949  -4.190  35.070
  793   3HD1  LEU 102          3HD1      LEU 102  -7.103  -2.961  36.331
  794   1HD2  LEU 102          1HD2      LEU 102  -3.855  -3.038  33.558
  795   2HD2  LEU 102          2HD2      LEU 102  -5.218  -4.143  33.462
  796   3HD2  LEU 102          3HD2      LEU 102  -5.437  -2.443  32.997
  797    H    GLU 103           H        GLU 103  -4.012  -1.103  38.194
  798    HA   GLU 103           HA       GLU 103  -2.126  -3.337  38.609
  799   1HB   GLU 103          2HB       GLU 103  -0.802  -1.250  38.859
  800   2HB   GLU 103          3HB       GLU 103  -1.944  -0.661  40.059
  801   1HG   GLU 103          2HG       GLU 103   0.102  -1.467  41.099
  802   2HG   GLU 103          3HG       GLU 103  -1.269  -2.426  41.623
  803    H    ARG 104           H        ARG 104  -2.408  -4.384  40.603
  804    HA   ARG 104           HA       ARG 104  -5.066  -4.978  41.441
  805   1HB   ARG 104          2HB       ARG 104  -2.357  -5.440  42.741
  806   2HB   ARG 104          3HB       ARG 104  -3.846  -6.129  43.379
  807   1HG   ARG 104          2HG       ARG 104  -4.149  -7.603  41.616
  808   2HG   ARG 104          3HG       ARG 104  -3.223  -6.641  40.465
  809   1HD   ARG 104          2HD       ARG 104  -1.961  -8.094  42.822
  810   2HD   ARG 104          3HD       ARG 104  -2.095  -8.765  41.184
  811    HE   ARG 104           HE       ARG 104  -0.906  -6.200  40.928
  812   1HH1  ARG 104          1HH2      ARG 104   0.139  -9.257  42.280
  813   2HH1  ARG 104          2HH2      ARG 104   1.818  -8.863  41.993
  814   1HH2  ARG 104          1HH1      ARG 104   1.060  -5.776  40.612
  815   2HH2  ARG 104          2HH1      ARG 104   2.357  -6.888  41.041
  816    H    GLY 105           H        GLY 105  -2.769  -2.723  42.833
  817   1HA   GLY 105          2HA       GLY 105  -4.857  -1.269  44.279
  818   2HA   GLY 105          3HA       GLY 105  -3.680  -2.063  45.335
  819    H    ALA 106           H        ALA 106  -3.002  -0.013  46.099
  820    HA   ALA 106           HA       ALA 106  -1.003   1.370  44.409
  821   1HB   ALA 106          1HB       ALA 106  -3.260   2.801  45.886
  822   2HB   ALA 106          2HB       ALA 106  -1.913   3.582  45.031
  823   3HB   ALA 106          3HB       ALA 106  -3.108   2.642  44.121
  824    H    ALA 107           H        ALA 107   0.419   2.762  45.643
  825    HA   ALA 107           HA       ALA 107   0.679   2.316  48.556
  826   1HB   ALA 107          1HB       ALA 107   1.921   0.445  47.520
  827   2HB   ALA 107          2HB       ALA 107   2.854   1.597  46.536
  828   3HB   ALA 107          3HB       ALA 107   3.028   1.589  48.302
  Start of MODEL    9
    1   1H    ARG   1          H1        ARG   1  -4.548   9.739  -4.101
    2   2H    ARG   1          H2        ARG   1  -6.174   9.713  -3.879
    3   3H    ARG   1          H3        ARG   1  -5.204   8.745  -2.985
    4    HA   ARG   1           HA       ARG   1  -6.290   7.426  -4.632
    5   1HB   ARG   1          2HB       ARG   1  -5.990   7.788  -7.000
    6   2HB   ARG   1          3HB       ARG   1  -6.718   9.212  -6.269
    7   1HG   ARG   1          2HG       ARG   1  -4.562  10.422  -6.384
    8   2HG   ARG   1          3HG       ARG   1  -3.749   8.962  -6.967
    9   1HD   ARG   1          2HD       ARG   1  -4.125  10.372  -8.840
   10   2HD   ARG   1          3HD       ARG   1  -5.172   8.968  -8.993
   11    HE   ARG   1           HE       ARG   1  -5.986  11.771  -8.310
   12   1HH1  ARG   1          1HH2      ARG   1  -7.195   8.540  -9.185
   13   2HH1  ARG   1          2HH2      ARG   1  -8.726   9.300  -9.665
   14   1HH2  ARG   1          1HH1      ARG   1  -8.040  12.447  -8.925
   15   2HH2  ARG   1          2HH1      ARG   1  -9.137  11.196  -9.526
   16    H    VAL   2           H        VAL   2  -5.269   5.643  -5.714
   17    HA   VAL   2           HA       VAL   2  -2.494   5.150  -4.869
   18    HB   VAL   2           HB       VAL   2  -4.235   3.420  -4.699
   19   1HG1  VAL   2          1HG1      VAL   2  -4.981   2.115  -6.583
   20   2HG1  VAL   2          2HG1      VAL   2  -5.456   3.797  -6.852
   21   3HG1  VAL   2          3HG1      VAL   2  -4.067   3.113  -7.723
   22   1HG2  VAL   2          1HG2      VAL   2  -1.838   2.852  -4.737
   23   2HG2  VAL   2          2HG2      VAL   2  -2.848   1.571  -5.421
   24   3HG2  VAL   2          3HG2      VAL   2  -1.921   2.624  -6.499
   25    H    ALA   3           H        ALA   3  -0.704   5.295  -6.088
   26    HA   ALA   3           HA       ALA   3  -0.628   6.760  -8.508
   27   1HB   ALA   3          1HB       ALA   3   1.462   4.902  -7.290
   28   2HB   ALA   3          2HB       ALA   3   1.758   6.151  -8.519
   29   3HB   ALA   3          3HB       ALA   3   1.225   6.623  -6.894
   30    H    GLU   4           H        GLU   4  -0.633   3.277  -7.992
   31    HA   GLU   4           HA       GLU   4   0.043   2.332 -10.555
   32   1HB   GLU   4          2HB       GLU   4  -1.836   1.085  -8.509
   33   2HB   GLU   4          3HB       GLU   4  -1.122   0.245  -9.890
   34   1HG   GLU   4          2HG       GLU   4   1.161   0.753  -8.988
   35   2HG   GLU   4          3HG       GLU   4   0.414   1.454  -7.552
   36    H    ASN   5           H        ASN   5  -2.878   3.817  -9.634
   37    HA   ASN   5           HA       ASN   5  -3.964   3.494 -12.379
   38   1HB   ASN   5          2HB       ASN   5  -5.017   1.724 -10.956
   39   2HB   ASN   5          3HB       ASN   5  -5.673   2.987  -9.909
   40   1HD2  ASN   5          2HD2      ASN   5  -7.851   3.285 -10.396
   41   2HD2  ASN   5          1HD2      ASN   5  -8.466   3.298 -12.045
   42    H    ARG   6           H        ARG   6  -2.687   5.633 -11.899
   43    HA   ARG   6           HA       ARG   6  -4.331   7.857 -10.979
   44   1HB   ARG   6          2HB       ARG   6  -2.637   9.294 -12.001
   45   2HB   ARG   6          3HB       ARG   6  -1.939   8.110 -10.911
   46   1HG   ARG   6          2HG       ARG   6  -0.896   6.916 -12.597
   47   2HG   ARG   6          3HG       ARG   6  -2.056   7.381 -13.839
   48   1HD   ARG   6          2HD       ARG   6  -0.089   9.326 -12.588
   49   2HD   ARG   6          3HD       ARG   6   0.230   8.422 -14.078
   50    HE   ARG   6           HE       ARG   6  -2.193   9.591 -14.642
   51   1HH1  ARG   6          1HH2      ARG   6   0.786  11.095 -13.566
   52   2HH1  ARG   6          2HH2      ARG   6   0.326  12.629 -14.258
   53   1HH2  ARG   6          1HH1      ARG   6  -2.672  11.426 -15.490
   54   2HH2  ARG   6          2HH1      ARG   6  -1.625  12.830 -15.335
   55    HA   PRO   7           HA       PRO   7  -6.853   8.781 -14.575
   56   1HB   PRO   7          2HB       PRO   7  -5.767  11.594 -14.320
   57   2HB   PRO   7          3HB       PRO   7  -7.460  11.054 -14.556
   58   1HG   PRO   7          2HG       PRO   7  -6.625  11.808 -12.105
   59   2HG   PRO   7          3HG       PRO   7  -7.627  10.330 -12.288
   60   1HD   PRO   7          2HD       PRO   7  -4.620  10.534 -11.979
   61   2HD   PRO   7          3HD       PRO   7  -5.771   9.434 -11.162
   62    H    GLY   8           H        GLY   8  -6.423   8.368 -16.647
   63   1HA   GLY   8          2HA       GLY   8  -5.356   8.849 -18.777
   64   2HA   GLY   8          3HA       GLY   8  -3.850   9.178 -17.927
   65    H    ALA   9           H        ALA   9  -4.814   6.576 -16.205
   66    HA   ALA   9           HA       ALA   9  -2.895   4.870 -17.420
   67   1HB   ALA   9          1HB       ALA   9  -3.724   3.195 -15.787
   68   2HB   ALA   9          2HB       ALA   9  -3.432   4.778 -15.046
   69   3HB   ALA   9          3HB       ALA   9  -5.094   4.257 -15.403
   70    H    PHE  10           H        PHE  10  -2.965   3.406 -19.000
   71    HA   PHE  10           HA       PHE  10  -5.214   2.938 -20.708
   72   1HB   PHE  10          2HB       PHE  10  -2.691   1.307 -20.220
   73   2HB   PHE  10          3HB       PHE  10  -3.798   1.027 -21.533
   74    HD1  PHE  10           HD1      PHE  10  -4.181   4.146 -22.216
   75    HD2  PHE  10           HD2      PHE  10  -0.777   1.547 -21.629
   76    HE1  PHE  10           HE1      PHE  10  -2.864   5.496 -23.801
   77    HE2  PHE  10           HE2      PHE  10   0.527   2.916 -23.235
   78    HZ   PHE  10           HZ       PHE  10  -0.511   4.880 -24.326
   79    H    ILE  11           H        ILE  11  -6.592   1.201 -20.974
   80    HA   ILE  11           HA       ILE  11  -6.593  -0.982 -18.936
   81    HB   ILE  11           HB       ILE  11  -9.017   0.256 -20.276
   82   1HG1  ILE  11          2HG1      ILE  11  -8.269   0.255 -17.317
   83   2HG1  ILE  11          3HG1      ILE  11  -8.017   1.627 -18.392
   84   1HG2  ILE  11          1HG2      ILE  11  -9.236  -2.182 -20.005
   85   2HG2  ILE  11          2HG2      ILE  11  -8.802  -2.045 -18.285
   86   3HG2  ILE  11          3HG2      ILE  11 -10.314  -1.351 -18.906
   87   1HD1  ILE  11          1HD1      ILE  11 -10.718   0.453 -17.646
   88   2HD1  ILE  11          2HD1      ILE  11 -10.041   2.007 -17.155
   89   3HD1  ILE  11          3HD1      ILE  11 -10.460   1.735 -18.856
   90    H    LYS  12           H        LYS  12  -5.980  -2.737 -19.832
   91    HA   LYS  12           HA       LYS  12  -6.377  -3.302 -22.759
   92   1HB   LYS  12          2HB       LYS  12  -3.964  -3.998 -21.033
   93   2HB   LYS  12          3HB       LYS  12  -4.225  -4.485 -22.717
   94   1HG   LYS  12          2HG       LYS  12  -4.371  -2.060 -23.341
   95   2HG   LYS  12          3HG       LYS  12  -3.923  -1.634 -21.680
   96   1HD   LYS  12          2HD       LYS  12  -1.785  -2.944 -22.007
   97   2HD   LYS  12          3HD       LYS  12  -2.257  -3.183 -23.707
   98   1HE   LYS  12          2HE       LYS  12  -2.434  -0.662 -23.927
   99   2HE   LYS  12          3HE       LYS  12  -1.793  -0.520 -22.284
  100   1HZ   LYS  12          1HZ       LYS  12   0.218  -1.723 -23.098
  101   2HZ   LYS  12          2HZ       LYS  12  -0.404  -1.713 -24.622
  102   3HZ   LYS  12          3HZ       LYS  12  -0.005  -0.310 -23.889
  103    H    GLN  13           H        GLN  13  -8.289  -4.219 -22.286
  104    HA   GLN  13           HA       GLN  13  -8.579  -6.715 -20.732
  105   1HB   GLN  13          2HB       GLN  13 -10.373  -5.013 -22.505
  106   2HB   GLN  13          3HB       GLN  13 -10.859  -6.629 -21.957
  107   1HG   GLN  13          2HG       GLN  13 -10.570  -5.910 -19.594
  108   2HG   GLN  13          3HG       GLN  13 -10.093  -4.304 -20.139
  109   1HE2  GLN  13          2HE2      GLN  13 -12.851  -6.651 -20.242
  110   2HE2  GLN  13          1HE2      GLN  13 -14.064  -5.375 -20.347
  111    H    GLY  14           H        GLY  14  -8.167  -5.618 -24.054
  112   1HA   GLY  14          2HA       GLY  14  -7.025  -6.876 -25.781
  113   2HA   GLY  14          3HA       GLY  14  -7.446  -8.385 -24.966
  114    H    ARG  15           H        ARG  15  -9.014  -5.535 -26.322
  115    HA   ARG  15           HA       ARG  15 -11.247  -7.119 -27.559
  116   1HB   ARG  15          2HB       ARG  15 -11.954  -6.205 -25.464
  117   2HB   ARG  15          3HB       ARG  15 -11.200  -4.653 -25.803
  118   1HG   ARG  15          2HG       ARG  15 -12.880  -4.116 -27.486
  119   2HG   ARG  15          3HG       ARG  15 -13.584  -5.737 -27.341
  120   1HD   ARG  15          2HD       ARG  15 -14.896  -4.075 -26.108
  121   2HD   ARG  15          3HD       ARG  15 -14.223  -5.300 -25.025
  122    HE   ARG  15           HE       ARG  15 -12.356  -3.491 -24.599
  123   1HH1  ARG  15          1HH2      ARG  15 -15.752  -2.655 -24.929
  124   2HH1  ARG  15          2HH2      ARG  15 -15.549  -1.266 -23.892
  125   1HH2  ARG  15          1HH1      ARG  15 -12.187  -1.868 -23.384
  126   2HH2  ARG  15          2HH1      ARG  15 -13.542  -0.798 -23.013
  127    H    LYS  16           H        LYS  16 -10.871  -6.986 -29.672
  128    HA   LYS  16           HA       LYS  16  -9.660  -4.752 -31.052
  129   1HB   LYS  16          2HB       LYS  16  -9.738  -7.154 -31.895
  130   2HB   LYS  16          3HB       LYS  16 -11.450  -6.897 -32.264
  131   1HG   LYS  16          2HG       LYS  16 -10.708  -4.876 -33.638
  132   2HG   LYS  16          3HG       LYS  16  -9.047  -5.397 -33.419
  133   1HD   LYS  16          2HD       LYS  16  -9.476  -7.438 -34.658
  134   2HD   LYS  16          3HD       LYS  16 -11.220  -7.142 -34.677
  135   1HE   LYS  16          2HE       LYS  16  -9.161  -5.294 -35.965
  136   2HE   LYS  16          3HE       LYS  16 -10.004  -6.581 -36.832
  137   1HZ   LYS  16          1HZ       LYS  16 -11.363  -4.266 -35.522
  138   2HZ   LYS  16          2HZ       LYS  16 -11.133  -4.455 -37.129
  139   3HZ   LYS  16          3HZ       LYS  16 -12.113  -5.477 -36.325
  140    H    LEU  17           H        LEU  17 -10.485  -2.944 -31.734
  141    HA   LEU  17           HA       LEU  17 -13.387  -2.321 -31.562
  142   1HB   LEU  17          2HB       LEU  17 -10.963  -0.535 -32.006
  143   2HB   LEU  17          3HB       LEU  17 -12.602   0.018 -31.685
  144    HG   LEU  17           HG       LEU  17 -10.889  -1.560 -29.706
  145   1HD1  LEU  17          1HD1      LEU  17 -11.636   1.382 -29.767
  146   2HD1  LEU  17          2HD1      LEU  17 -10.682   0.547 -28.522
  147   3HD1  LEU  17          3HD1      LEU  17 -10.042   0.699 -30.170
  148   1HD2  LEU  17          1HD2      LEU  17 -13.588  -0.185 -29.361
  149   2HD2  LEU  17          2HD2      LEU  17 -13.284  -1.938 -29.302
  150   3HD2  LEU  17          3HD2      LEU  17 -12.602  -0.887 -28.058
  151    H    ASP  18           H        ASP  18 -13.972  -0.541 -33.265
  152    HA   ASP  18           HA       ASP  18 -13.090  -1.262 -36.022
  153   1HB   ASP  18          2HB       ASP  18 -15.187  -2.435 -35.624
  154   2HB   ASP  18          3HB       ASP  18 -15.955  -0.949 -35.065
  155    H    ILE  19           H        ILE  19 -11.844   0.480 -36.261
  156    HA   ILE  19           HA       ILE  19 -13.008   3.230 -36.201
  157    HB   ILE  19           HB       ILE  19 -10.336   2.320 -35.054
  158   1HG1  ILE  19          2HG1      ILE  19 -12.657   3.696 -33.635
  159   2HG1  ILE  19          3HG1      ILE  19 -12.360   1.963 -33.579
  160   1HG2  ILE  19          1HG2      ILE  19  -9.947   4.729 -34.499
  161   2HG2  ILE  19          2HG2      ILE  19 -10.062   4.489 -36.232
  162   3HG2  ILE  19          3HG2      ILE  19 -11.449   5.153 -35.330
  163   1HD1  ILE  19          1HD1      ILE  19 -10.163   2.307 -32.543
  164   2HD1  ILE  19          2HD1      ILE  19 -10.469   4.062 -32.472
  165   3HD1  ILE  19          3HD1      ILE  19 -11.501   2.950 -31.571
  166    H    ASP  20           H        ASP  20 -12.664   4.245 -38.100
  167    HA   ASP  20           HA       ASP  20 -10.727   3.138 -40.063
  168   1HB   ASP  20          2HB       ASP  20 -12.966   3.706 -40.859
  169   2HB   ASP  20          3HB       ASP  20 -12.750   5.381 -40.339
  170    H    PHE  21           H        PHE  21  -8.873   3.563 -38.963
  171    HA   PHE  21           HA       PHE  21  -7.799   6.141 -38.202
  172   1HB   PHE  21          2HB       PHE  21  -6.374   3.588 -39.079
  173   2HB   PHE  21          3HB       PHE  21  -5.668   4.916 -38.192
  174    HD1  PHE  21           HD1      PHE  21  -7.569   1.814 -37.946
  175    HD2  PHE  21           HD2      PHE  21  -6.371   5.349 -35.821
  176    HE1  PHE  21           HE1      PHE  21  -8.098   0.698 -35.801
  177    HE2  PHE  21           HE2      PHE  21  -6.951   4.256 -33.670
  178    HZ   PHE  21           HZ       PHE  21  -7.768   1.902 -33.650
  179    H    GLY  22           H        GLY  22  -7.725   4.142 -41.043
  180   1HA   GLY  22          2HA       GLY  22  -7.573   5.478 -43.323
  181   2HA   GLY  22          3HA       GLY  22  -6.000   5.969 -42.658
  182    H    ALA  23           H        ALA  23  -6.465   4.302 -45.044
  183    HA   ALA  23           HA       ALA  23  -6.632   1.642 -44.899
  184   1HB   ALA  23          1HB       ALA  23  -6.427   2.902 -46.974
  185   2HB   ALA  23          2HB       ALA  23  -4.691   3.159 -46.682
  186   3HB   ALA  23          3HB       ALA  23  -5.315   1.521 -46.975
  187    H    GLU  24           H        GLU  24  -3.375   3.098 -44.649
  188    HA   GLU  24           HA       GLU  24  -2.036   0.596 -44.107
  189   1HB   GLU  24          2HB       GLU  24  -1.010   2.655 -45.087
  190   2HB   GLU  24          3HB       GLU  24  -1.066   3.415 -43.490
  191   1HG   GLU  24          2HG       GLU  24   0.440   1.716 -42.591
  192   2HG   GLU  24          3HG       GLU  24   0.346   0.774 -44.079
  193    H    GLY  25           H        GLY  25  -3.243   3.137 -41.940
  194   1HA   GLY  25          2HA       GLY  25  -2.272   2.022 -39.456
  195   2HA   GLY  25          3HA       GLY  25  -3.535   3.236 -39.638
  196    H    ASN  26           H        ASN  26  -5.349   1.715 -41.208
  197    HA   ASN  26           HA       ASN  26  -6.848   0.166 -39.345
  198   1HB   ASN  26          2HB       ASN  26  -6.889   0.137 -42.403
  199   2HB   ASN  26          3HB       ASN  26  -8.093  -0.625 -41.370
  200   1HD2  ASN  26          2HD2      ASN  26  -8.920   1.188 -43.283
  201   2HD2  ASN  26          1HD2      ASN  26  -9.481   2.635 -42.441
  202    H    ARG  27           H        ARG  27  -4.630  -0.807 -41.938
  203    HA   ARG  27           HA       ARG  27  -4.788  -3.683 -41.561
  204   1HB   ARG  27          2HB       ARG  27  -2.705  -1.867 -42.846
  205   2HB   ARG  27          3HB       ARG  27  -2.561  -3.627 -42.812
  206   1HG   ARG  27          2HG       ARG  27  -4.545  -3.930 -44.131
  207   2HG   ARG  27          3HG       ARG  27  -5.012  -2.239 -43.965
  208   1HD   ARG  27          2HD       ARG  27  -4.094  -2.595 -46.187
  209   2HD   ARG  27          3HD       ARG  27  -3.067  -1.511 -45.262
  210    HE   ARG  27           HE       ARG  27  -1.334  -3.065 -45.307
  211   1HH1  ARG  27          1HH1      ARG  27  -4.184  -4.738 -46.485
  212   2HH1  ARG  27          2HH1      ARG  27  -3.251  -6.113 -47.014
  213   1HH2  ARG  27          1HH2      ARG  27  -0.225  -4.835 -45.992
  214   2HH2  ARG  27          2HH2      ARG  27  -1.077  -6.157 -46.738
  215    H    TYR  28           H        TYR  28  -2.549  -1.214 -40.295
  216    HA   TYR  28           HA       TYR  28  -0.883  -2.966 -38.799
  217   1HB   TYR  28          2HB       TYR  28  -0.318  -0.648 -39.365
  218   2HB   TYR  28          3HB       TYR  28  -1.580  -0.050 -38.306
  219    HD1  TYR  28           HD1      TYR  28   1.602  -2.043 -38.334
  220    HD2  TYR  28           HD2      TYR  28  -1.227   0.202 -35.980
  221    HE1  TYR  28           HE1      TYR  28   3.108  -2.221 -36.344
  222    HE2  TYR  28           HE2      TYR  28   0.279   0.014 -34.002
  223    HH   TYR  28           HH       TYR  28   2.266  -0.661 -33.236
  224    H    TYR  29           H        TYR  29  -3.722  -1.049 -37.659
  225    HA   TYR  29           HA       TYR  29  -3.815  -2.073 -35.026
  226   1HB   TYR  29          2HB       TYR  29  -5.090  -0.106 -35.786
  227   2HB   TYR  29          3HB       TYR  29  -6.123  -1.134 -36.769
  228    HD1  TYR  29           HD1      TYR  29  -8.040  -2.191 -35.790
  229    HD2  TYR  29           HD2      TYR  29  -4.976  -0.535 -33.240
  230    HE1  TYR  29           HE1      TYR  29  -9.434  -2.674 -33.781
  231    HE2  TYR  29           HE2      TYR  29  -6.339  -1.073 -31.245
  232    HH   TYR  29           HH       TYR  29  -8.261  -1.998 -30.459
  233    H    ALA  30           H        ALA  30  -5.672  -3.280 -37.883
  234    HA   ALA  30           HA       ALA  30  -6.984  -5.422 -36.690
  235   1HB   ALA  30          1HB       ALA  30  -5.799  -5.274 -39.492
  236   2HB   ALA  30          2HB       ALA  30  -7.079  -6.383 -38.959
  237   3HB   ALA  30          3HB       ALA  30  -7.378  -4.635 -38.983
  238    H    ALA  31           H        ALA  31  -3.607  -5.407 -37.807
  239    HA   ALA  31           HA       ALA  31  -3.152  -8.213 -37.087
  240   1HB   ALA  31          1HB       ALA  31  -1.299  -6.002 -38.059
  241   2HB   ALA  31          2HB       ALA  31  -0.864  -7.717 -37.887
  242   3HB   ALA  31          3HB       ALA  31  -2.103  -7.229 -39.059
  243    H    ASN  32           H        ASN  32  -2.761  -5.145 -35.395
  244    HA   ASN  32           HA       ASN  32  -1.088  -6.480 -33.292
  245   1HB   ASN  32          2HB       ASN  32  -0.825  -3.665 -34.400
  246   2HB   ASN  32          3HB       ASN  32   0.121  -4.351 -33.088
  247   1HD2  ASN  32          2HD2      ASN  32  -0.298  -4.273 -36.520
  248   2HD2  ASN  32          1HD2      ASN  32   1.164  -5.205 -36.895
  249    H    TYR  33           H        TYR  33  -4.149  -5.377 -33.446
  250    HA   TYR  33           HA       TYR  33  -4.561  -3.480 -31.558
  251   1HB   TYR  33          2HB       TYR  33  -6.778  -4.309 -31.210
  252   2HB   TYR  33          3HB       TYR  33  -6.337  -4.371 -32.900
  253    HD1  TYR  33           HD1      TYR  33  -6.304  -6.456 -34.105
  254    HD2  TYR  33           HD2      TYR  33  -6.978  -6.403 -29.845
  255    HE1  TYR  33           HE1      TYR  33  -7.096  -8.813 -34.199
  256    HE2  TYR  33           HE2      TYR  33  -7.728  -8.771 -29.932
  257    HH   TYR  33           HH       TYR  33  -8.114 -10.601 -31.255
  258    H    TRP  34           H        TRP  34  -3.668  -6.756 -30.723
  259    HA   TRP  34           HA       TRP  34  -4.261  -6.902 -27.980
  260   1HB   TRP  34          2HB       TRP  34  -2.464  -8.531 -27.858
  261   2HB   TRP  34          3HB       TRP  34  -3.447  -8.777 -29.289
  262    HD1  TRP  34           HD1      TRP  34  -2.309  -8.351 -31.666
  263    HE1  TRP  34           HE1      TRP  34   0.144  -8.164 -32.440
  264    HE3  TRP  34           HE3      TRP  34  -0.023  -7.874 -27.098
  265    HZ2  TRP  34           HZ2      TRP  34   2.704  -7.659 -31.264
  266    HZ3  TRP  34           HZ3      TRP  34   2.449  -7.623 -26.957
  267    HH2  TRP  34           HH2      TRP  34   3.820  -7.503 -29.025
  268    H    GLN  35           H        GLN  35  -1.622  -5.088 -29.511
  269    HA   GLN  35           HA       GLN  35  -0.172  -4.437 -27.086
  270   1HB   GLN  35          2HB       GLN  35  -0.301  -2.928 -29.736
  271   2HB   GLN  35          3HB       GLN  35   0.895  -2.703 -28.456
  272   1HG   GLN  35          2HG       GLN  35   1.611  -5.085 -28.774
  273   2HG   GLN  35          3HG       GLN  35   0.547  -5.176 -30.186
  274   1HE2  GLN  35          2HE2      GLN  35   0.917  -2.927 -31.600
  275   2HE2  GLN  35          1HE2      GLN  35   2.613  -2.711 -32.018
  276    H    PHE  36           H        PHE  36  -2.864  -2.921 -28.770
  277    HA   PHE  36           HA       PHE  36  -2.524  -0.270 -27.708
  278   1HB   PHE  36          2HB       PHE  36  -4.764  -1.653 -29.234
  279   2HB   PHE  36          3HB       PHE  36  -4.812   0.025 -28.793
  280    HD1  PHE  36           HD1      PHE  36  -2.774  -2.432 -30.761
  281    HD2  PHE  36           HD2      PHE  36  -3.875   1.689 -30.176
  282    HE1  PHE  36           HE1      PHE  36  -1.798  -1.864 -32.968
  283    HE2  PHE  36           HE2      PHE  36  -2.920   2.247 -32.384
  284    HZ   PHE  36           HZ       PHE  36  -1.926   0.485 -33.802
  285    HA   PRO  37           HA       PRO  37  -5.399  -0.432 -24.178
  286   1HB   PRO  37          2HB       PRO  37  -6.020   2.177 -23.911
  287   2HB   PRO  37          3HB       PRO  37  -4.371   1.573 -23.608
  288   1HG   PRO  37          2HG       PRO  37  -5.382   2.906 -26.133
  289   2HG   PRO  37          3HG       PRO  37  -3.907   3.280 -25.199
  290   1HD   PRO  37          2HD       PRO  37  -3.905   1.626 -27.383
  291   2HD   PRO  37          3HD       PRO  37  -2.783   1.398 -26.008
  292    H    ASP  38           H        ASP  38  -7.405  -1.275 -24.419
  293    HA   ASP  38           HA       ASP  38  -9.181  -0.295 -26.603
  294   1HB   ASP  38          2HB       ASP  38 -10.584  -2.163 -26.196
  295   2HB   ASP  38          3HB       ASP  38  -8.920  -2.684 -26.428
  296    H    GLY  39           H        GLY  39  -8.796  -0.035 -23.155
  297   1HA   GLY  39          2HA       GLY  39 -10.933   2.062 -23.109
  298   2HA   GLY  39          3HA       GLY  39 -10.738   0.923 -21.769
  299    H    ILE  40           H        ILE  40 -10.558   3.628 -21.298
  300    HA   ILE  40           HA       ILE  40  -7.778   3.870 -20.284
  301    HB   ILE  40           HB       ILE  40  -9.194   6.129 -21.758
  302   1HG1  ILE  40          2HG1      ILE  40  -6.528   4.758 -22.359
  303   2HG1  ILE  40          3HG1      ILE  40  -8.029   4.464 -23.231
  304   1HG2  ILE  40          1HG2      ILE  40  -7.176   7.488 -21.173
  305   2HG2  ILE  40          2HG2      ILE  40  -8.073   7.017 -19.750
  306   3HG2  ILE  40          3HG2      ILE  40  -6.580   6.147 -20.175
  307   1HD1  ILE  40          1HD1      ILE  40  -6.788   5.922 -24.573
  308   2HD1  ILE  40          2HD1      ILE  40  -8.098   6.894 -23.878
  309   3HD1  ILE  40          3HD1      ILE  40  -6.440   7.029 -23.237
  310    H    TYR  41           H        TYR  41  -7.819   4.271 -18.204
  311    HA   TYR  41           HA       TYR  41 -10.256   5.027 -16.732
  312   1HB   TYR  41          2HB       TYR  41  -8.671   3.373 -15.806
  313   2HB   TYR  41          3HB       TYR  41  -7.369   4.542 -15.896
  314    HD1  TYR  41           HD1      TYR  41 -10.586   3.733 -14.199
  315    HD2  TYR  41           HD2      TYR  41  -7.093   6.255 -14.247
  316    HE1  TYR  41           HE1      TYR  41 -11.194   4.632 -11.943
  317    HE2  TYR  41           HE2      TYR  41  -7.688   7.157 -12.021
  318    HH   TYR  41           HH       TYR  41  -9.160   7.028 -10.240
  319    H    TYR  42           H        TYR  42 -10.841   7.152 -16.573
  320    HA   TYR  42           HA       TYR  42  -8.868   9.212 -15.959
  321   1HB   TYR  42          2HB       TYR  42  -8.692   9.224 -18.388
  322   2HB   TYR  42          3HB       TYR  42 -10.438   9.244 -18.565
  323    HD1  TYR  42           HD1      TYR  42  -7.657  11.231 -16.975
  324    HD2  TYR  42           HD2      TYR  42 -11.496  11.325 -18.944
  325    HE1  TYR  42           HE1      TYR  42  -7.698  13.715 -16.791
  326    HE2  TYR  42           HE2      TYR  42 -11.475  13.814 -18.849
  327    HH   TYR  42           HH       TYR  42  -8.946  15.604 -17.081
  328    H    GLU  43           H        GLU  43  -9.790  11.167 -15.216
  329    HA   GLU  43           HA       GLU  43 -12.686  11.128 -14.490
  330   1HB   GLU  43          2HB       GLU  43 -10.371  11.660 -12.594
  331   2HB   GLU  43          3HB       GLU  43 -12.076  12.002 -12.254
  332   1HG   GLU  43          2HG       GLU  43 -12.603   9.583 -12.626
  333   2HG   GLU  43          3HG       GLU  43 -10.883   9.270 -12.836
  334    H    GLY  44           H        GLY  44 -13.267  12.613 -15.845
  335   1HA   GLY  44          2HA       GLY  44 -11.876  15.260 -16.061
  336   2HA   GLY  44          3HA       GLY  44 -12.996  14.576 -17.227
  337    H    CYS  45           H        CYS  45 -15.213  14.003 -15.790
  338    HA   CYS  45           HA       CYS  45 -16.588  16.429 -15.757
  339   1HB   CYS  45          2HB       CYS  45 -17.317  13.780 -14.457
  340   2HB   CYS  45          3HB       CYS  45 -18.452  15.061 -14.856
  341    H    SER  46           H        SER  46 -16.797  18.023 -14.325
  342    HA   SER  46           HA       SER  46 -16.864  17.493 -11.403
  343   1HB   SER  46          2HB       SER  46 -15.525  19.515 -10.973
  344   2HB   SER  46          3HB       SER  46 -14.614  18.235 -11.788
  345    HG   SER  46           HG       SER  46 -14.216  20.282 -12.730
  346    H    GLU  47           H        GLU  47 -17.237  20.197 -13.721
  347    HA   GLU  47           HA       GLU  47 -20.020  20.671 -12.781
  348   1HB   GLU  47          2HB       GLU  47 -19.606  23.059 -12.488
  349   2HB   GLU  47          3HB       GLU  47 -18.618  22.105 -11.385
  350   1HG   GLU  47          2HG       GLU  47 -16.639  22.427 -12.861
  351   2HG   GLU  47          3HG       GLU  47 -17.629  23.343 -13.996
  352    H    ALA  48           H        ALA  48 -21.297  22.049 -14.154
  353    HA   ALA  48           HA       ALA  48 -21.263  21.310 -16.808
  354   1HB   ALA  48          1HB       ALA  48 -22.653  23.695 -15.531
  355   2HB   ALA  48          2HB       ALA  48 -23.110  22.915 -17.061
  356   3HB   ALA  48          3HB       ALA  48 -23.243  22.014 -15.542
  357    H    ASN  49           H        ASN  49 -19.454  23.962 -15.525
  358    HA   ASN  49           HA       ASN  49 -19.089  25.455 -17.991
  359   1HB   ASN  49          2HB       ASN  49 -17.465  25.324 -15.416
  360   2HB   ASN  49          3HB       ASN  49 -17.106  26.406 -16.760
  361   1HD2  ASN  49          2HD2      ASN  49 -18.565  26.445 -13.796
  362   2HD2  ASN  49          1HD2      ASN  49 -19.749  27.711 -14.135
  363    H    VAL  50           H        VAL  50 -17.646  22.480 -16.793
  364    HA   VAL  50           HA       VAL  50 -15.358  22.378 -18.591
  365    HB   VAL  50           HB       VAL  50 -16.955  20.122 -17.294
  366   1HG1  VAL  50          1HG1      VAL  50 -15.672  19.272 -19.208
  367   2HG1  VAL  50          2HG1      VAL  50 -14.205  20.083 -18.612
  368   3HG1  VAL  50          3HG1      VAL  50 -14.941  18.748 -17.695
  369   1HG2  VAL  50          1HG2      VAL  50 -14.335  21.434 -16.443
  370   2HG2  VAL  50          2HG2      VAL  50 -15.895  21.579 -15.601
  371   3HG2  VAL  50          3HG2      VAL  50 -15.093  20.011 -15.690
  372    H    THR  51           H        THR  51 -15.561  22.413 -20.780
  373    HA   THR  51           HA       THR  51 -18.057  21.515 -22.083
  374    HB   THR  51           HB       THR  51 -17.107  22.408 -24.121
  375    HG1  THR  51           1HG      THR  51 -15.013  23.382 -24.013
  376   1HG2  THR  51          1HG2      THR  51 -18.033  24.046 -22.439
  377   2HG2  THR  51          2HG2      THR  51 -16.369  24.362 -21.909
  378   3HG2  THR  51          3HG2      THR  51 -16.854  24.732 -23.576
  379    H    LYS  52           H        LYS  52 -17.766  20.243 -24.185
  380    HA   LYS  52           HA       LYS  52 -16.467  17.697 -23.709
  381   1HB   LYS  52          2HB       LYS  52 -18.434  18.124 -25.284
  382   2HB   LYS  52          3HB       LYS  52 -17.291  18.839 -26.425
  383   1HG   LYS  52          2HG       LYS  52 -16.022  16.664 -26.427
  384   2HG   LYS  52          3HG       LYS  52 -17.227  15.994 -25.311
  385   1HD   LYS  52          2HD       LYS  52 -18.997  16.438 -27.073
  386   2HD   LYS  52          3HD       LYS  52 -17.708  16.995 -28.152
  387   1HE   LYS  52          2HE       LYS  52 -17.978  14.764 -28.805
  388   2HE   LYS  52          3HE       LYS  52 -16.584  14.702 -27.719
  389   1HZ   LYS  52          1HZ       LYS  52 -19.381  13.898 -27.157
  390   2HZ   LYS  52          2HZ       LYS  52 -18.029  12.959 -27.076
  391   3HZ   LYS  52          3HZ       LYS  52 -18.286  14.098 -25.940
  392    H    GLU  53           H        GLU  53 -15.544  20.452 -25.737
  393    HA   GLU  53           HA       GLU  53 -13.061  19.516 -26.719
  394   1HB   GLU  53          2HB       GLU  53 -13.868  22.352 -25.954
  395   2HB   GLU  53          3HB       GLU  53 -12.421  21.917 -26.873
  396   1HG   GLU  53          2HG       GLU  53 -13.869  20.856 -28.615
  397   2HG   GLU  53          3HG       GLU  53 -15.300  21.390 -27.732
  398    H    MET  54           H        MET  54 -13.661  21.297 -23.653
  399    HA   MET  54           HA       MET  54 -11.030  21.166 -22.580
  400   1HB   MET  54          2HB       MET  54 -13.750  21.212 -21.241
  401   2HB   MET  54          3HB       MET  54 -12.233  21.207 -20.341
  402   1HG   MET  54          2HG       MET  54 -11.525  23.287 -21.358
  403   2HG   MET  54          3HG       MET  54 -12.902  23.279 -22.453
  404   1HE   MET  54          1HE       MET  54 -11.647  23.834 -18.783
  405   2HE   MET  54          2HE       MET  54 -13.154  24.139 -17.892
  406   3HE   MET  54          3HE       MET  54 -12.797  22.508 -18.492
  407    H    LEU  55           H        LEU  55 -13.748  18.809 -22.040
  408    HA   LEU  55           HA       LEU  55 -12.204  17.159 -20.326
  409   1HB   LEU  55          2HB       LEU  55 -14.677  17.307 -20.475
  410   2HB   LEU  55          3HB       LEU  55 -14.655  16.361 -21.960
  411    HG   LEU  55           HG       LEU  55 -13.290  15.302 -19.456
  412   1HD1  LEU  55          1HD1      LEU  55 -15.517  16.014 -18.715
  413   2HD1  LEU  55          2HD1      LEU  55 -16.262  15.091 -20.040
  414   3HD1  LEU  55          3HD1      LEU  55 -15.386  14.250 -18.743
  415   1HD2  LEU  55          1HD2      LEU  55 -13.045  13.929 -21.513
  416   2HD2  LEU  55          2HD2      LEU  55 -14.047  13.107 -20.325
  417   3HD2  LEU  55          3HD2      LEU  55 -14.808  13.917 -21.713
  418    H    VAL  56           H        VAL  56 -12.946  16.661 -23.792
  419    HA   VAL  56           HA       VAL  56 -11.558  14.192 -24.136
  420    HB   VAL  56           HB       VAL  56 -12.076  16.407 -26.173
  421   1HG1  VAL  56          1HG1      VAL  56 -11.426  13.454 -26.620
  422   2HG1  VAL  56          2HG1      VAL  56 -11.899  14.613 -27.871
  423   3HG1  VAL  56          3HG1      VAL  56 -10.364  14.820 -27.029
  424   1HG2  VAL  56          1HG2      VAL  56 -14.163  15.512 -25.140
  425   2HG2  VAL  56          2HG2      VAL  56 -14.012  14.995 -26.821
  426   3HG2  VAL  56          3HG2      VAL  56 -13.632  13.880 -25.486
  427    H    THR  57           H        THR  57 -10.401  17.564 -24.667
  428    HA   THR  57           HA       THR  57  -7.702  16.932 -25.386
  429    HB   THR  57           HB       THR  57  -8.732  19.442 -24.003
  430    HG1  THR  57           1HG      THR  57  -9.788  19.370 -25.826
  431   1HG2  THR  57          1HG2      THR  57  -6.286  19.382 -23.946
  432   2HG2  THR  57          2HG2      THR  57  -6.226  18.936 -25.671
  433   3HG2  THR  57          3HG2      THR  57  -6.820  20.535 -25.171
  434    H    SER  58           H        SER  58  -9.112  17.706 -22.176
  435    HA   SER  58           HA       SER  58  -6.697  17.462 -20.674
  436   1HB   SER  58          2HB       SER  58  -9.546  16.984 -19.759
  437   2HB   SER  58          3HB       SER  58  -8.127  17.210 -18.715
  438    HG   SER  58           HG       SER  58  -9.328  19.061 -20.493
  439    H    CYS  59           H        CYS  59  -9.131  14.990 -21.528
  440    HA   CYS  59           HA       CYS  59  -7.948  12.762 -20.215
  441   1HB   CYS  59          2HB       CYS  59 -10.190  12.715 -21.082
  442   2HB   CYS  59          3HB       CYS  59  -9.663  13.068 -22.706
  443    H    VAL  60           H        VAL  60  -7.369  13.902 -23.584
  444    HA   VAL  60           HA       VAL  60  -5.274  12.065 -24.231
  445    HB   VAL  60           HB       VAL  60  -5.865  14.881 -25.179
  446   1HG1  VAL  60          1HG1      VAL  60  -3.470  14.618 -25.542
  447   2HG1  VAL  60          2HG1      VAL  60  -3.727  13.007 -26.255
  448   3HG1  VAL  60          3HG1      VAL  60  -4.326  14.463 -27.075
  449   1HG2  VAL  60          1HG2      VAL  60  -6.077  12.175 -26.554
  450   2HG2  VAL  60          2HG2      VAL  60  -7.443  13.028 -25.796
  451   3HG2  VAL  60          3HG2      VAL  60  -6.621  13.746 -27.186
  452    H    ASN  61           H        ASN  61  -5.032  15.275 -22.689
  453    HA   ASN  61           HA       ASN  61  -2.195  15.262 -22.274
  454   1HB   ASN  61          2HB       ASN  61  -4.511  16.767 -21.016
  455   2HB   ASN  61          3HB       ASN  61  -2.889  16.896 -20.348
  456   1HD2  ASN  61          2HD2      ASN  61  -4.764  17.429 -23.358
  457   2HD2  ASN  61          1HD2      ASN  61  -3.603  18.602 -23.991
  458    H    ALA  62           H        ALA  62  -4.816  14.071 -20.087
  459    HA   ALA  62           HA       ALA  62  -3.084  13.243 -17.970
  460   1HB   ALA  62          1HB       ALA  62  -5.802  12.163 -18.843
  461   2HB   ALA  62          2HB       ALA  62  -5.018  11.891 -17.272
  462   3HB   ALA  62          3HB       ALA  62  -5.515  13.527 -17.738
  463    H    THR  63           H        THR  63  -4.339  11.496 -20.809
  464    HA   THR  63           HA       THR  63  -3.102   8.982 -20.354
  465    HB   THR  63           HB       THR  63  -3.677  10.190 -23.084
  466    HG1  THR  63           1HG      THR  63  -5.531  10.248 -21.858
  467   1HG2  THR  63          1HG2      THR  63  -3.546   7.316 -22.061
  468   2HG2  THR  63          2HG2      THR  63  -4.056   7.805 -23.683
  469   3HG2  THR  63          3HG2      THR  63  -2.384   8.083 -23.171
  470    H    GLN  64           H        GLN  64  -1.816  11.779 -22.247
  471    HA   GLN  64           HA       GLN  64   0.725  10.797 -22.865
  472   1HB   GLN  64          2HB       GLN  64  -0.266  13.584 -22.227
  473   2HB   GLN  64          3HB       GLN  64   1.445  13.272 -22.533
  474   1HG   GLN  64          2HG       GLN  64   0.972  12.388 -24.738
  475   2HG   GLN  64          3HG       GLN  64  -0.767  12.496 -24.436
  476   1HE2  GLN  64          2HE2      GLN  64  -1.122  13.889 -26.274
  477   2HE2  GLN  64          1HE2      GLN  64  -0.563  15.559 -26.233
  478    H    ALA  65           H        ALA  65  -0.067  12.766 -19.963
  479    HA   ALA  65           HA       ALA  65   2.367  12.566 -18.657
  480   1HB   ALA  65          1HB       ALA  65  -0.427  12.882 -17.498
  481   2HB   ALA  65          2HB       ALA  65   1.093  13.292 -16.668
  482   3HB   ALA  65          3HB       ALA  65   0.610  14.181 -18.125
  483    H    ALA  66           H        ALA  66  -0.426  10.374 -18.305
  484    HA   ALA  66           HA       ALA  66   0.639   8.719 -16.247
  485   1HB   ALA  66          1HB       ALA  66  -1.468   8.171 -18.374
  486   2HB   ALA  66          2HB       ALA  66  -1.210   7.202 -16.905
  487   3HB   ALA  66          3HB       ALA  66  -1.750   8.887 -16.782
  488    H    ASN  67           H        ASN  67   0.887   8.407 -19.806
  489    HA   ASN  67           HA       ASN  67   2.480   5.891 -19.437
  490   1HB   ASN  67          2HB       ASN  67   0.737   6.549 -21.829
  491   2HB   ASN  67          3HB       ASN  67   1.440   5.001 -21.393
  492   1HD2  ASN  67          1HD2      ASN  67  -1.157   7.213 -20.875
  493   2HD2  ASN  67          2HD2      ASN  67  -2.178   6.151 -19.919
  494    H    GLN  68           H        GLN  68   3.701   8.385 -19.445
  495    HA   GLN  68           HA       GLN  68   4.845   9.351 -21.812
  496   1HB   GLN  68          2HB       GLN  68   6.075   9.105 -19.035
  497   2HB   GLN  68          3HB       GLN  68   6.834   9.993 -20.364
  498   1HG   GLN  68          2HG       GLN  68   4.929  11.519 -20.510
  499   2HG   GLN  68          3HG       GLN  68   4.067  10.597 -19.278
  500   1HE2  GLN  68          2HE2      GLN  68   4.284  11.255 -17.156
  501   2HE2  GLN  68          1HE2      GLN  68   5.568  12.340 -16.607
  502    H    ALA  69           H        ALA  69   6.256   6.806 -19.751
  503    HA   ALA  69           HA       ALA  69   8.525   6.153 -21.252
  504   1HB   ALA  69          1HB       ALA  69   8.446   4.007 -20.038
  505   2HB   ALA  69          2HB       ALA  69   8.086   5.370 -18.961
  506   3HB   ALA  69          3HB       ALA  69   6.768   4.328 -19.551
  507    H    GLU  70           H        GLU  70   5.226   4.821 -21.650
  508    HA   GLU  70           HA       GLU  70   5.845   2.831 -23.605
  509   1HB   GLU  70          2HB       GLU  70   3.237   4.367 -23.248
  510   2HB   GLU  70          3HB       GLU  70   3.446   2.867 -24.139
  511   1HG   GLU  70          2HG       GLU  70   3.884   3.202 -21.134
  512   2HG   GLU  70          3HG       GLU  70   2.450   2.537 -21.892
  513    H    PHE  71           H        PHE  71   4.543   6.129 -24.124
  514    HA   PHE  71           HA       PHE  71   4.717   6.137 -26.960
  515   1HB   PHE  71          2HB       PHE  71   4.968   8.487 -25.044
  516   2HB   PHE  71          3HB       PHE  71   4.591   8.587 -26.760
  517    HD1  PHE  71           HD1      PHE  71   2.543   6.685 -27.341
  518    HD2  PHE  71           HD2      PHE  71   3.045   9.035 -23.742
  519    HE1  PHE  71           HE1      PHE  71   0.149   6.376 -26.782
  520    HE2  PHE  71           HE2      PHE  71   0.686   8.632 -23.167
  521    HZ   PHE  71           HZ       PHE  71  -0.770   7.313 -24.677
  522    H    SER  72           H        SER  72   7.147   7.334 -24.595
  523    HA   SER  72           HA       SER  72   9.151   8.109 -26.426
  524   1HB   SER  72          2HB       SER  72   9.384   7.043 -23.592
  525   2HB   SER  72          3HB       SER  72  10.740   7.715 -24.518
  526    HG   SER  72           HG       SER  72   9.710   9.304 -23.201
  527    H    ARG  73           H        ARG  73   8.851   4.902 -24.810
  528    HA   ARG  73           HA       ARG  73  11.140   3.698 -26.071
  529   1HB   ARG  73          2HB       ARG  73   8.640   2.485 -24.809
  530   2HB   ARG  73          3HB       ARG  73   9.951   1.523 -25.496
  531   1HG   ARG  73          2HG       ARG  73  11.559   2.793 -23.977
  532   2HG   ARG  73          3HG       ARG  73  10.153   3.408 -23.109
  533   1HD   ARG  73          2HD       ARG  73  10.819   0.479 -23.595
  534   2HD   ARG  73          3HD       ARG  73  11.194   1.368 -22.107
  535    HE   ARG  73           HE       ARG  73   8.390   1.583 -22.535
  536   1HH1  ARG  73          1HH2      ARG  73  10.702  -0.926 -21.741
  537   2HH1  ARG  73          2HH2      ARG  73   9.511  -1.889 -20.908
  538   1HH2  ARG  73          1HH1      ARG  73   6.891   0.272 -21.477
  539   2HH2  ARG  73          2HH1      ARG  73   7.445  -1.219 -20.761
  540    H    GLU  74           H        GLU  74   7.719   3.341 -26.894
  541    HA   GLU  74           HA       GLU  74   8.017   1.689 -29.171
  542   1HB   GLU  74          2HB       GLU  74   5.877   3.704 -28.405
  543   2HB   GLU  74          3HB       GLU  74   5.755   2.732 -29.859
  544   1HG   GLU  74          2HG       GLU  74   6.058   1.540 -27.075
  545   2HG   GLU  74          3HG       GLU  74   4.519   1.798 -27.898
  546    H    LYS  75           H        LYS  75   7.289   5.145 -29.424
  547    HA   LYS  75           HA       LYS  75   7.231   5.693 -32.001
  548   1HB   LYS  75          2HB       LYS  75   6.953   7.341 -30.247
  549   2HB   LYS  75          3HB       LYS  75   8.689   7.365 -29.925
  550   1HG   LYS  75          2HG       LYS  75   9.123   8.342 -32.139
  551   2HG   LYS  75          3HG       LYS  75   7.406   8.207 -32.565
  552   1HD   LYS  75          2HD       LYS  75   6.828   9.781 -30.739
  553   2HD   LYS  75          3HD       LYS  75   8.541   9.878 -30.275
  554   1HE   LYS  75          2HE       LYS  75   9.094  10.760 -32.539
  555   2HE   LYS  75          3HE       LYS  75   7.385  10.690 -32.981
  556   1HZ   LYS  75          1HZ       LYS  75   8.514  12.367 -30.798
  557   2HZ   LYS  75          2HZ       LYS  75   8.017  12.920 -32.249
  558   3HZ   LYS  75          3HZ       LYS  75   6.931  12.303 -31.199
  559    H    GLN  76           H        GLN  76  10.403   5.386 -30.490
  560    HA   GLN  76           HA       GLN  76  12.116   6.170 -32.568
  561   1HB   GLN  76          2HB       GLN  76  12.464   3.905 -30.560
  562   2HB   GLN  76          3HB       GLN  76  13.760   4.577 -31.547
  563   1HG   GLN  76          2HG       GLN  76  12.151   6.136 -29.471
  564   2HG   GLN  76          3HG       GLN  76  13.759   5.469 -29.236
  565   1HE2  GLN  76          2HE2      GLN  76  15.575   6.367 -30.626
  566   2HE2  GLN  76          1HE2      GLN  76  15.381   8.025 -31.188
  567    H    ASP  77           H        ASP  77  10.709   2.931 -32.115
  568    HA   ASP  77           HA       ASP  77  11.569   2.137 -34.885
  569   1HB   ASP  77          2HB       ASP  77  12.412   0.719 -33.045
  570   2HB   ASP  77          3HB       ASP  77  10.756   0.395 -32.531
  571    H    SER  78           H        SER  78   8.848   1.912 -32.607
  572    HA   SER  78           HA       SER  78   6.809   1.201 -34.573
  573   1HB   SER  78          2HB       SER  78   6.795   1.965 -31.639
  574   2HB   SER  78          3HB       SER  78   5.339   1.592 -32.516
  575    HG   SER  78           HG       SER  78   6.137  -0.190 -31.418
  576    H    LYS  79           H        LYS  79   7.646   3.171 -35.821
  577    HA   LYS  79           HA       LYS  79   6.775   5.844 -35.208
  578   1HB   LYS  79          2HB       LYS  79   7.446   4.494 -37.860
  579   2HB   LYS  79          3HB       LYS  79   7.116   6.223 -37.680
  580   1HG   LYS  79          2HG       LYS  79   9.012   6.460 -36.122
  581   2HG   LYS  79          3HG       LYS  79   9.363   4.725 -36.253
  582   1HD   LYS  79          2HD       LYS  79   9.801   4.984 -38.681
  583   2HD   LYS  79          3HD       LYS  79   9.365   6.692 -38.581
  584   1HE   LYS  79          2HE       LYS  79  11.738   6.584 -38.634
  585   2HE   LYS  79          3HE       LYS  79  11.266   7.084 -37.009
  586   1HZ   LYS  79          1HZ       LYS  79  11.746   4.867 -36.208
  587   2HZ   LYS  79          2HZ       LYS  79  11.984   4.286 -37.729
  588   3HZ   LYS  79          3HZ       LYS  79  13.028   5.352 -37.072
  589    H    LEU  80           H        LEU  80   5.326   3.583 -37.564
  590    HA   LEU  80           HA       LEU  80   2.937   4.995 -38.089
  591   1HB   LEU  80          2HB       LEU  80   3.669   3.113 -39.448
  592   2HB   LEU  80          3HB       LEU  80   3.476   2.002 -38.092
  593    HG   LEU  80           HG       LEU  80   1.022   2.330 -38.126
  594   1HD1  LEU  80          1HD1      LEU  80   1.527   4.065 -40.585
  595   2HD1  LEU  80          2HD1      LEU  80  -0.057   3.475 -40.037
  596   3HD1  LEU  80          3HD1      LEU  80   0.843   4.619 -39.038
  597   1HD2  LEU  80          1HD2      LEU  80   2.000   0.528 -39.458
  598   2HD2  LEU  80          2HD2      LEU  80   0.578   1.205 -40.274
  599   3HD2  LEU  80          3HD2      LEU  80   2.208   1.630 -40.837
  600    H    HIS  81           H        HIS  81   3.602   2.685 -35.467
  601    HA   HIS  81           HA       HIS  81   1.096   2.277 -34.385
  602   1HB   HIS  81          2HB       HIS  81   3.336   1.321 -33.649
  603   2HB   HIS  81          3HB       HIS  81   3.556   2.787 -32.705
  604    HD1  HIS  81           HD1      HIS  81   3.626   0.533 -30.770
  605    HD2  HIS  81           HD2      HIS  81  -0.056   1.896 -32.401
  606    HE1  HIS  81           HE1      HIS  81   1.774  -0.389 -29.295
  607    HE2  HIS  81           HE2      HIS  81  -0.471   0.424 -30.293
  608    H    GLN  82           H        GLN  82   3.195   5.103 -33.730
  609    HA   GLN  82           HA       GLN  82   1.661   6.333 -31.717
  610   1HB   GLN  82          2HB       GLN  82   3.210   7.842 -33.856
  611   2HB   GLN  82          3HB       GLN  82   2.762   8.407 -32.248
  612   1HG   GLN  82          2HG       GLN  82   4.859   6.368 -33.012
  613   2HG   GLN  82          3HG       GLN  82   5.057   7.877 -32.134
  614   1HE2  GLN  82          2HE2      GLN  82   5.034   4.573 -31.718
  615   2HE2  GLN  82          1HE2      GLN  82   4.533   4.552 -30.017
  616    H    ARG  83           H        ARG  83   1.362   6.905 -35.233
  617    HA   ARG  83           HA       ARG  83  -0.723   8.868 -35.140
  618   1HB   ARG  83          2HB       ARG  83  -0.217   6.779 -37.303
  619   2HB   ARG  83          3HB       ARG  83  -1.145   8.259 -37.498
  620   1HG   ARG  83          2HG       ARG  83   1.855   8.148 -36.907
  621   2HG   ARG  83          3HG       ARG  83   1.129   8.297 -38.494
  622   1HD   ARG  83          2HD       ARG  83   1.779  10.486 -37.911
  623   2HD   ARG  83          3HD       ARG  83   0.028  10.434 -37.790
  624    HE   ARG  83           HE       ARG  83   0.191  10.962 -35.546
  625   1HH1  ARG  83          1HH2      ARG  83   3.388   9.883 -36.483
  626   2HH1  ARG  83          2HH2      ARG  83   4.082  10.349 -34.955
  627   1HH2  ARG  83          1HH1      ARG  83   1.123  11.513 -33.637
  628   2HH2  ARG  83          2HH1      ARG  83   2.824  11.247 -33.390
  629    H    VAL  84           H        VAL  84  -0.997   5.403 -35.591
  630    HA   VAL  84           HA       VAL  84  -3.854   5.177 -35.581
  631    HB   VAL  84           HB       VAL  84  -1.846   3.061 -34.709
  632   1HG1  VAL  84          1HG1      VAL  84  -3.483   1.462 -35.497
  633   2HG1  VAL  84          2HG1      VAL  84  -4.294   2.535 -34.330
  634   3HG1  VAL  84          3HG1      VAL  84  -4.544   2.748 -36.071
  635   1HG2  VAL  84          1HG2      VAL  84  -2.822   3.792 -37.501
  636   2HG2  VAL  84          2HG2      VAL  84  -1.150   3.869 -36.921
  637   3HG2  VAL  84          3HG2      VAL  84  -1.931   2.304 -37.099
  638    H    LEU  85           H        LEU  85  -1.508   4.623 -32.952
  639    HA   LEU  85           HA       LEU  85  -3.261   4.057 -30.842
  640   1HB   LEU  85          2HB       LEU  85  -0.851   3.621 -30.906
  641   2HB   LEU  85          3HB       LEU  85  -0.507   5.349 -30.852
  642    HG   LEU  85           HG       LEU  85  -1.372   5.478 -28.560
  643   1HD1  LEU  85          1HD1      LEU  85  -1.895   3.400 -27.314
  644   2HD1  LEU  85          2HD1      LEU  85  -3.079   3.696 -28.590
  645   3HD1  LEU  85          3HD1      LEU  85  -1.808   2.465 -28.825
  646   1HD2  LEU  85          1HD2      LEU  85   0.597   3.182 -29.019
  647   2HD2  LEU  85          2HD2      LEU  85   1.003   4.910 -28.955
  648   3HD2  LEU  85          3HD2      LEU  85   0.402   4.086 -27.505
  649    H    TRP  86           H        TRP  86  -1.873   7.286 -31.680
  650    HA   TRP  86           HA       TRP  86  -3.323   8.694 -29.668
  651   1HB   TRP  86          2HB       TRP  86  -1.987   9.563 -32.234
  652   2HB   TRP  86          3HB       TRP  86  -2.909  10.700 -31.249
  653    HD1  TRP  86           HD1      TRP  86   0.524   9.556 -31.526
  654    HE1  TRP  86           HE1      TRP  86   1.852   9.770 -29.327
  655    HE3  TRP  86           HE3      TRP  86  -3.340  10.678 -28.359
  656    HZ2  TRP  86           HZ2      TRP  86   1.246  10.055 -26.519
  657    HZ3  TRP  86           HZ3      TRP  86  -2.954  10.843 -25.912
  658    HH2  TRP  86           HH2      TRP  86  -0.690  10.391 -24.983
  659    H    ARG  87           H        ARG  87  -4.266   8.012 -33.045
  660    HA   ARG  87           HA       ARG  87  -6.806   9.382 -32.890
  661   1HB   ARG  87          2HB       ARG  87  -6.023   8.729 -35.043
  662   2HB   ARG  87          3HB       ARG  87  -5.839   7.053 -34.554
  663   1HG   ARG  87          2HG       ARG  87  -7.788   7.311 -35.990
  664   2HG   ARG  87          3HG       ARG  87  -8.280   6.776 -34.392
  665   1HD   ARG  87          2HD       ARG  87  -8.863   9.202 -33.852
  666   2HD   ARG  87          3HD       ARG  87  -8.530   9.597 -35.537
  667    HE   ARG  87           HE       ARG  87 -10.887   8.219 -34.438
  668   1HH1  ARG  87          1HH2      ARG  87  -9.117   8.583 -37.445
  669   2HH1  ARG  87          2HH2      ARG  87 -10.382   7.773 -38.337
  670   1HH2  ARG  87          1HH1      ARG  87 -12.440   7.543 -35.564
  671   2HH2  ARG  87          2HH1      ARG  87 -12.381   7.423 -37.332
  672    H    LEU  88           H        LEU  88  -5.976   5.999 -32.073
  673    HA   LEU  88           HA       LEU  88  -8.556   5.205 -31.164
  674   1HB   LEU  88          2HB       LEU  88  -6.286   3.882 -31.562
  675   2HB   LEU  88          3HB       LEU  88  -6.009   4.193 -29.859
  676    HG   LEU  88           HG       LEU  88  -8.392   2.726 -31.085
  677   1HD1  LEU  88          1HD1      LEU  88  -6.241   1.503 -31.157
  678   2HD1  LEU  88          2HD1      LEU  88  -6.079   1.743 -29.394
  679   3HD1  LEU  88          3HD1      LEU  88  -7.398   0.750 -30.045
  680   1HD2  LEU  88          1HD2      LEU  88  -8.757   2.024 -28.636
  681   2HD2  LEU  88          2HD2      LEU  88  -7.707   3.372 -28.195
  682   3HD2  LEU  88          3HD2      LEU  88  -9.241   3.659 -29.066
  683    H    ILE  89           H        ILE  89  -5.842   6.499 -29.186
  684    HA   ILE  89           HA       ILE  89  -7.168   6.740 -26.703
  685    HB   ILE  89           HB       ILE  89  -4.968   8.423 -27.942
  686   1HG1  ILE  89          2HG1      ILE  89  -4.816   6.408 -25.655
  687   2HG1  ILE  89          3HG1      ILE  89  -4.609   5.931 -27.330
  688   1HG2  ILE  89          1HG2      ILE  89  -6.091   8.551 -25.105
  689   2HG2  ILE  89          2HG2      ILE  89  -4.555   9.273 -25.598
  690   3HG2  ILE  89          3HG2      ILE  89  -6.050   9.862 -26.295
  691   1HD1  ILE  89          1HD1      ILE  89  -2.833   7.889 -25.819
  692   2HD1  ILE  89          2HD1      ILE  89  -2.440   6.241 -26.326
  693   3HD1  ILE  89          3HD1      ILE  89  -2.686   7.503 -27.549
  694    H    LYS  90           H        LYS  90  -7.005   9.227 -29.292
  695    HA   LYS  90           HA       LYS  90  -8.827  11.075 -28.089
  696   1HB   LYS  90          2HB       LYS  90  -8.044  10.552 -30.987
  697   2HB   LYS  90          3HB       LYS  90  -9.177  11.827 -30.524
  698   1HG   LYS  90          2HG       LYS  90  -7.526  12.950 -29.174
  699   2HG   LYS  90          3HG       LYS  90  -6.379  11.617 -29.338
  700   1HD   LYS  90          2HD       LYS  90  -5.687  13.413 -30.775
  701   2HD   LYS  90          3HD       LYS  90  -6.216  12.054 -31.780
  702   1HE   LYS  90          2HE       LYS  90  -8.408  13.177 -32.136
  703   2HE   LYS  90          3HE       LYS  90  -7.904  14.507 -31.087
  704   1HZ   LYS  90          1HZ       LYS  90  -7.579  15.056 -33.431
  705   2HZ   LYS  90          2HZ       LYS  90  -6.130  15.008 -32.686
  706   3HZ   LYS  90          3HZ       LYS  90  -6.592  13.776 -33.656
  707    H    GLU  91           H        GLU  91  -9.579   8.374 -30.334
  708    HA   GLU  91           HA       GLU  91 -12.359   8.774 -30.476
  709   1HB   GLU  91          2HB       GLU  91 -10.767   7.117 -31.727
  710   2HB   GLU  91          3HB       GLU  91 -11.073   6.028 -30.377
  711   1HG   GLU  91          2HG       GLU  91 -12.576   5.466 -32.127
  712   2HG   GLU  91          3HG       GLU  91 -13.520   6.221 -30.856
  713    H    ILE  92           H        ILE  92 -10.549   6.834 -28.062
  714    HA   ILE  92           HA       ILE  92 -12.767   6.152 -26.370
  715    HB   ILE  92           HB       ILE  92  -9.803   6.434 -25.746
  716   1HG1  ILE  92          2HG1      ILE  92 -11.593   3.987 -26.069
  717   2HG1  ILE  92          3HG1      ILE  92 -10.578   4.631 -27.350
  718   1HG2  ILE  92          1HG2      ILE  92 -10.999   6.769 -23.627
  719   2HG2  ILE  92          2HG2      ILE  92 -12.069   5.386 -23.976
  720   3HG2  ILE  92          3HG2      ILE  92 -10.350   5.141 -23.640
  721   1HD1  ILE  92          1HD1      ILE  92  -9.585   3.427 -24.741
  722   2HD1  ILE  92          2HD1      ILE  92  -9.445   2.763 -26.361
  723   3HD1  ILE  92          3HD1      ILE  92  -8.549   4.239 -25.942
  724    H    CYS  93           H        CYS  93 -10.452   8.902 -26.077
  725    HA   CYS  93           HA       CYS  93 -11.685  10.140 -23.849
  726   1HB   CYS  93          2HB       CYS  93 -10.062  11.294 -26.128
  727   2HB   CYS  93          3HB       CYS  93 -10.567  12.224 -24.725
  728    H    SER  94           H        SER  94 -12.418  10.602 -27.307
  729    HA   SER  94           HA       SER  94 -14.380  12.644 -27.130
  730   1HB   SER  94          2HB       SER  94 -14.156  10.396 -29.154
  731   2HB   SER  94          3HB       SER  94 -15.164  11.844 -29.316
  732    HG   SER  94           HG       SER  94 -12.333  11.701 -29.126
  733    H    ALA  95           H        ALA  95 -14.746   9.157 -26.654
  734    HA   ALA  95           HA       ALA  95 -17.625   9.114 -26.665
  735   1HB   ALA  95          1HB       ALA  95 -16.160   7.143 -27.078
  736   2HB   ALA  95          2HB       ALA  95 -15.664   7.172 -25.372
  737   3HB   ALA  95          3HB       ALA  95 -17.355   6.855 -25.797
  738    H    LYS  96           H        LYS  96 -15.329   9.985 -24.172
  739    HA   LYS  96           HA       LYS  96 -16.849   9.346 -21.838
  740   1HB   LYS  96          2HB       LYS  96 -14.720  11.506 -22.122
  741   2HB   LYS  96          3HB       LYS  96 -15.280  10.747 -20.624
  742   1HG   LYS  96          2HG       LYS  96 -14.527   8.513 -21.689
  743   2HG   LYS  96          3HG       LYS  96 -13.692   9.521 -22.893
  744   1HD   LYS  96          2HD       LYS  96 -12.287  10.520 -21.251
  745   2HD   LYS  96          3HD       LYS  96 -13.173   9.774 -19.911
  746   1HE   LYS  96          2HE       LYS  96 -11.824   8.118 -22.088
  747   2HE   LYS  96          3HE       LYS  96 -10.935   8.666 -20.676
  748   1HZ   LYS  96          1HZ       LYS  96 -11.781   6.502 -20.171
  749   2HZ   LYS  96          2HZ       LYS  96 -12.680   7.532 -19.295
  750   3HZ   LYS  96          3HZ       LYS  96 -13.304   6.872 -20.652
  751    H    HIS  97           H        HIS  97 -18.554  10.215 -20.962
  752    HA   HIS  97           HA       HIS  97 -19.437  12.974 -21.591
  753   1HB   HIS  97          2HB       HIS  97 -21.695  12.002 -21.777
  754   2HB   HIS  97          3HB       HIS  97 -20.525  11.299 -22.897
  755    HD1  HIS  97           HD1      HIS  97 -20.809   9.895 -19.309
  756    HD2  HIS  97           HD2      HIS  97 -21.831   9.087 -23.331
  757    HE1  HIS  97           HE1      HIS  97 -21.651   7.454 -19.376
  758    HE2  HIS  97           HE2      HIS  97 -22.263   6.964 -21.830
  759    H    CYS  98           H        CYS  98 -20.621  14.155 -20.140
  760    HA   CYS  98           HA       CYS  98 -20.529  13.261 -17.286
  761   1HB   CYS  98          2HB       CYS  98 -20.704  16.080 -18.391
  762   2HB   CYS  98          3HB       CYS  98 -20.501  15.615 -16.713
  763    H    ASP  99           H        ASP  99 -22.335  13.199 -16.069
  764    HA   ASP  99           HA       ASP  99 -24.918  13.020 -17.224
  765   1HB   ASP  99          2HB       ASP  99 -24.180  11.901 -15.147
  766   2HB   ASP  99          3HB       ASP  99 -24.113  13.460 -14.322
  767    H    PHE 100           H        PHE 100 -23.400  15.714 -15.487
  768    HA   PHE 100           HA       PHE 100 -25.716  17.414 -15.350
  769   1HB   PHE 100          2HB       PHE 100 -24.071  19.122 -14.616
  770   2HB   PHE 100          3HB       PHE 100 -23.996  17.617 -13.731
  771    HD1  PHE 100           HD1      PHE 100 -22.325  19.276 -16.710
  772    HD2  PHE 100           HD2      PHE 100 -21.877  16.756 -13.236
  773    HE1  PHE 100           HE1      PHE 100 -19.882  19.150 -17.109
  774    HE2  PHE 100           HE2      PHE 100 -19.440  16.686 -13.609
  775    HZ   PHE 100           HZ       PHE 100 -18.434  17.871 -15.591
  776    H    TRP 101           H        TRP 101 -23.815  16.737 -18.109
  777    HA   TRP 101           HA       TRP 101 -23.372  19.331 -19.120
  778   1HB   TRP 101          2HB       TRP 101 -23.398  16.580 -20.342
  779   2HB   TRP 101          3HB       TRP 101 -23.392  17.949 -21.413
  780    HD1  TRP 101           HD1      TRP 101 -21.301  19.555 -19.177
  781    HE1  TRP 101           HE1      TRP 101 -18.862  19.256 -19.761
  782    HE3  TRP 101           HE3      TRP 101 -21.676  15.395 -22.160
  783    HZ2  TRP 101           HZ2      TRP 101 -17.213  17.409 -21.220
  784    HZ3  TRP 101           HZ3      TRP 101 -19.632  14.483 -23.254
  785    HH2  TRP 101           HH2      TRP 101 -17.398  15.446 -22.757
  786    H    LEU 102           H        LEU 102 -24.040  20.442 -20.797
  787    HA   LEU 102           HA       LEU 102 -26.796  20.187 -21.877
  788   1HB   LEU 102          2HB       LEU 102 -25.505  22.852 -21.166
  789   2HB   LEU 102          3HB       LEU 102 -27.113  22.552 -21.795
  790    HG   LEU 102           HG       LEU 102 -27.370  21.156 -19.502
  791   1HD1  LEU 102          1HD1      LEU 102 -25.415  23.407 -18.795
  792   2HD1  LEU 102          2HD1      LEU 102 -26.287  22.370 -17.645
  793   3HD1  LEU 102          3HD1      LEU 102 -25.048  21.675 -18.688
  794   1HD2  LEU 102          1HD2      LEU 102 -27.578  24.187 -19.738
  795   2HD2  LEU 102          2HD2      LEU 102 -28.814  23.004 -20.226
  796   3HD2  LEU 102          3HD2      LEU 102 -28.388  23.176 -18.518
  797    H    GLU 103           H        GLU 103 -26.528  22.270 -23.683
  798    HA   GLU 103           HA       GLU 103 -25.450  21.092 -25.911
  799   1HB   GLU 103          2HB       GLU 103 -25.667  23.203 -27.066
  800   2HB   GLU 103          3HB       GLU 103 -27.028  22.918 -25.984
  801   1HG   GLU 103          2HG       GLU 103 -25.981  24.471 -24.305
  802   2HG   GLU 103          3HG       GLU 103 -24.680  24.793 -25.452
  803    H    ARG 104           H        ARG 104 -23.545  23.133 -23.772
  804    HA   ARG 104           HA       ARG 104 -21.181  23.315 -25.421
  805   1HB   ARG 104          2HB       ARG 104 -20.085  24.268 -23.628
  806   2HB   ARG 104          3HB       ARG 104 -21.733  24.817 -23.463
  807   1HG   ARG 104          2HG       ARG 104 -20.466  22.545 -21.839
  808   2HG   ARG 104          3HG       ARG 104 -20.550  24.215 -21.323
  809   1HD   ARG 104          2HD       ARG 104 -22.971  22.454 -21.862
  810   2HD   ARG 104          3HD       ARG 104 -22.285  22.769 -20.282
  811    HE   ARG 104           HE       ARG 104 -23.905  24.634 -21.896
  812   1HH1  ARG 104          1HH2      ARG 104 -21.744  24.479 -19.132
  813   2HH1  ARG 104          2HH2      ARG 104 -22.357  25.991 -18.501
  814   1HH2  ARG 104          1HH1      ARG 104 -24.627  26.506 -21.020
  815   2HH2  ARG 104          2HH1      ARG 104 -23.940  27.082 -19.531
  816    H    GLY 105           H        GLY 105 -22.409  20.602 -23.929
  817   1HA   GLY 105          2HA       GLY 105 -19.768  19.165 -23.872
  818   2HA   GLY 105          3HA       GLY 105 -20.944  19.055 -22.578
  819    H    ALA 106           H        ALA 106 -23.316  18.600 -23.710
  820    HA   ALA 106           HA       ALA 106 -23.159  15.824 -24.409
  821   1HB   ALA 106          1HB       ALA 106 -24.928  16.754 -23.006
  822   2HB   ALA 106          2HB       ALA 106 -25.503  17.769 -24.347
  823   3HB   ALA 106          3HB       ALA 106 -25.625  15.999 -24.450
  824    H    ALA 107           H        ALA 107 -22.047  15.577 -26.299
  825    HA   ALA 107           HA       ALA 107 -23.610  15.715 -28.783
  826   1HB   ALA 107          1HB       ALA 107 -22.325  17.830 -28.819
  827   2HB   ALA 107          2HB       ALA 107 -20.818  16.932 -28.537
  828   3HB   ALA 107          3HB       ALA 107 -21.720  16.703 -30.048
  Start of MODEL   10
    1   1H    ARG   1          H1        ARG   1  -7.747  -8.683   3.996
    2   2H    ARG   1          H2        ARG   1  -8.830  -9.240   2.906
    3   3H    ARG   1          H3        ARG   1  -7.836 -10.286   3.688
    4    HA   ARG   1           HA       ARG   1  -5.895  -9.335   2.615
    5   1HB   ARG   1          2HB       ARG   1  -8.068 -10.175   0.635
    6   2HB   ARG   1          3HB       ARG   1  -6.349 -10.023   0.261
    7   1HG   ARG   1          2HG       ARG   1  -5.836 -11.778   1.977
    8   2HG   ARG   1          3HG       ARG   1  -7.581 -12.002   2.228
    9   1HD   ARG   1          2HD       ARG   1  -7.825 -12.538  -0.206
   10   2HD   ARG   1          3HD       ARG   1  -6.079 -12.389  -0.394
   11    HE   ARG   1           HE       ARG   1  -5.743 -14.325   1.011
   12   1HH1  ARG   1          1HH2      ARG   1  -9.116 -13.956   0.124
   13   2HH1  ARG   1          2HH2      ARG   1  -9.464 -15.630   0.468
   14   1HH2  ARG   1          1HH1      ARG   1  -6.259 -16.409   1.430
   15   2HH2  ARG   1          2HH1      ARG   1  -7.892 -16.968   1.188
   16    H    VAL   2           H        VAL   2  -4.955  -7.747   1.372
   17    HA   VAL   2           HA       VAL   2  -6.306  -5.182   1.065
   18    HB   VAL   2           HB       VAL   2  -3.632  -6.148  -0.037
   19   1HG1  VAL   2          1HG1      VAL   2  -4.413  -4.175  -1.296
   20   2HG1  VAL   2          2HG1      VAL   2  -4.772  -3.325   0.226
   21   3HG1  VAL   2          3HG1      VAL   2  -3.098  -3.722  -0.215
   22   1HG2  VAL   2          1HG2      VAL   2  -4.298  -4.508   2.451
   23   2HG2  VAL   2          2HG2      VAL   2  -3.662  -6.167   2.434
   24   3HG2  VAL   2          3HG2      VAL   2  -2.664  -4.841   1.837
   25    H    ALA   3           H        ALA   3  -7.448  -4.452  -0.620
   26    HA   ALA   3           HA       ALA   3  -7.155  -5.628  -3.331
   27   1HB   ALA   3          1HB       ALA   3  -9.602  -5.873  -3.536
   28   2HB   ALA   3          2HB       ALA   3  -8.945  -6.923  -2.266
   29   3HB   ALA   3          3HB       ALA   3  -9.799  -5.428  -1.826
   30    H    GLU   4           H        GLU   4  -6.199  -3.768  -4.028
   31    HA   GLU   4           HA       GLU   4  -7.802  -1.223  -4.016
   32   1HB   GLU   4          2HB       GLU   4  -4.803  -1.692  -4.049
   33   2HB   GLU   4          3HB       GLU   4  -5.559  -0.114  -4.240
   34   1HG   GLU   4          2HG       GLU   4  -5.860  -1.890  -1.777
   35   2HG   GLU   4          3HG       GLU   4  -4.730  -0.557  -1.937
   36    H    ASN   5           H        ASN   5  -6.984  -3.675  -6.067
   37    HA   ASN   5           HA       ASN   5  -7.441  -1.963  -8.477
   38   1HB   ASN   5          2HB       ASN   5  -5.041  -2.756  -8.231
   39   2HB   ASN   5          3HB       ASN   5  -5.621  -4.405  -8.434
   40   1HD2  ASN   5          2HD2      ASN   5  -7.018  -4.699 -10.518
   41   2HD2  ASN   5          1HD2      ASN   5  -6.403  -3.873 -11.949
   42    H    ARG   6           H        ARG   6  -9.545  -2.584  -7.410
   43    HA   ARG   6           HA       ARG   6 -10.697  -5.251  -7.838
   44   1HB   ARG   6          2HB       ARG   6 -12.106  -2.607  -7.258
   45   2HB   ARG   6          3HB       ARG   6 -12.759  -4.224  -6.995
   46   1HG   ARG   6          2HG       ARG   6 -11.123  -4.606  -5.175
   47   2HG   ARG   6          3HG       ARG   6 -10.392  -3.023  -5.493
   48   1HD   ARG   6          2HD       ARG   6 -12.792  -2.071  -5.111
   49   2HD   ARG   6          3HD       ARG   6 -13.107  -3.624  -4.310
   50    HE   ARG   6           HE       ARG   6 -10.653  -2.612  -3.316
   51   1HH1  ARG   6          1HH1      ARG   6 -13.984  -1.562  -3.077
   52   2HH1  ARG   6          2HH1      ARG   6 -13.666  -0.688  -1.599
   53   1HH2  ARG   6          1HH2      ARG   6 -10.309  -1.499  -1.545
   54   2HH2  ARG   6          2HH2      ARG   6 -11.612  -0.661  -0.736
   55    HA   PRO   7           HA       PRO   7 -12.423  -4.560 -11.985
   56   1HB   PRO   7          2HB       PRO   7 -15.007  -5.565 -10.776
   57   2HB   PRO   7          3HB       PRO   7 -14.236  -6.015 -12.329
   58   1HG   PRO   7          2HG       PRO   7 -14.033  -7.659 -10.186
   59   2HG   PRO   7          3HG       PRO   7 -12.596  -7.348 -11.213
   60   1HD   PRO   7          2HD       PRO   7 -13.305  -6.091  -8.549
   61   2HD   PRO   7          3HD       PRO   7 -11.730  -6.727  -9.120
   62    H    GLY   8           H        GLY   8 -12.903  -2.572 -12.644
   63   1HA   GLY   8          2HA       GLY   8 -14.467  -0.656 -12.814
   64   2HA   GLY   8          3HA       GLY   8 -14.664  -0.740 -11.065
   65    H    ALA   9           H        ALA   9 -11.506  -1.358 -11.075
   66    HA   ALA   9           HA       ALA   9 -10.841   1.175 -10.088
   67   1HB   ALA   9          1HB       ALA   9  -9.026  -1.075 -11.032
   68   2HB   ALA   9          2HB       ALA   9  -8.511   0.315 -10.055
   69   3HB   ALA   9          3HB       ALA   9  -9.689  -0.831  -9.398
   70    H    PHE  10           H        PHE  10 -10.024   3.001 -10.828
   71    HA   PHE  10           HA       PHE  10  -9.798   3.768 -13.570
   72   1HB   PHE  10          2HB       PHE  10  -8.622   4.853 -10.979
   73   2HB   PHE  10          3HB       PHE  10  -8.404   5.653 -12.503
   74    HD1  PHE  10           HD1      PHE  10 -11.757   4.502 -12.733
   75    HD2  PHE  10           HD2      PHE  10  -9.283   7.362 -10.637
   76    HE1  PHE  10           HE1      PHE  10 -13.710   5.950 -12.375
   77    HE2  PHE  10           HE2      PHE  10 -11.264   8.809 -10.289
   78    HZ   PHE  10           HZ       PHE  10 -13.479   8.112 -11.160
   79    H    ILE  11           H        ILE  11  -8.110   3.916 -15.004
   80    HA   ILE  11           HA       ILE  11  -5.357   3.224 -14.089
   81    HB   ILE  11           HB       ILE  11  -6.488   2.715 -16.849
   82   1HG1  ILE  11          2HG1      ILE  11  -5.812   0.623 -14.731
   83   2HG1  ILE  11          3HG1      ILE  11  -7.448   1.148 -15.113
   84   1HG2  ILE  11          1HG2      ILE  11  -4.025   3.244 -16.662
   85   2HG2  ILE  11          2HG2      ILE  11  -3.846   1.856 -15.576
   86   3HG2  ILE  11          3HG2      ILE  11  -4.335   1.625 -17.268
   87   1HD1  ILE  11          1HD1      ILE  11  -7.003  -0.929 -16.282
   88   2HD1  ILE  11          2HD1      ILE  11  -7.165   0.381 -17.466
   89   3HD1  ILE  11          3HD1      ILE  11  -5.559  -0.259 -17.039
   90    H    LYS  12           H        LYS  12  -4.359   5.007 -13.943
   91    HA   LYS  12           HA       LYS  12  -4.831   7.333 -15.799
   92   1HB   LYS  12          2HB       LYS  12  -3.529   7.327 -13.043
   93   2HB   LYS  12          3HB       LYS  12  -3.796   8.731 -14.085
   94   1HG   LYS  12          2HG       LYS  12  -6.277   8.277 -13.942
   95   2HG   LYS  12          3HG       LYS  12  -5.931   7.006 -12.757
   96   1HD   LYS  12          2HD       LYS  12  -4.716   8.833 -11.399
   97   2HD   LYS  12          3HD       LYS  12  -5.419  10.000 -12.539
   98   1HE   LYS  12          2HE       LYS  12  -7.708   8.995 -11.950
   99   2HE   LYS  12          3HE       LYS  12  -6.884   8.087 -10.670
  100   1HZ   LYS  12          1HZ       LYS  12  -6.091  10.347  -9.869
  101   2HZ   LYS  12          2HZ       LYS  12  -7.175  11.017 -10.915
  102   3HZ   LYS  12          3HZ       LYS  12  -7.683  10.077  -9.670
  103    H    GLN  13           H        GLN  13  -3.653   6.517 -17.487
  104    HA   GLN  13           HA       GLN  13  -0.757   5.953 -17.274
  105   1HB   GLN  13          2HB       GLN  13  -2.570   6.325 -19.700
  106   2HB   GLN  13          3HB       GLN  13  -0.877   5.821 -19.733
  107   1HG   GLN  13          2HG       GLN  13  -1.507   3.799 -18.367
  108   2HG   GLN  13          3HG       GLN  13  -3.204   4.291 -18.504
  109   1HE2  GLN  13          2HE2      GLN  13  -4.006   4.654 -20.825
  110   2HE2  GLN  13          1HE2      GLN  13  -3.435   3.463 -22.014
  111    H    GLY  14           H        GLY  14  -2.957   8.498 -18.315
  112   1HA   GLY  14          2HA       GLY  14  -2.524  10.874 -17.990
  113   2HA   GLY  14          3HA       GLY  14  -0.791  10.580 -18.151
  114    H    ARG  15           H        ARG  15  -3.805  10.109 -19.944
  115    HA   ARG  15           HA       ARG  15  -2.545  10.853 -22.565
  116   1HB   ARG  15          2HB       ARG  15  -2.645   8.442 -22.246
  117   2HB   ARG  15          3HB       ARG  15  -4.348   8.535 -21.795
  118   1HG   ARG  15          2HG       ARG  15  -4.990   9.156 -24.061
  119   2HG   ARG  15          3HG       ARG  15  -3.288   9.320 -24.539
  120   1HD   ARG  15          2HD       ARG  15  -4.213   7.183 -25.318
  121   2HD   ARG  15          3HD       ARG  15  -2.904   6.940 -24.161
  122    HE   ARG  15           HE       ARG  15  -4.587   6.431 -22.413
  123   1HH1  ARG  15          1HH2      ARG  15  -5.856   6.127 -25.682
  124   2HH1  ARG  15          2HH2      ARG  15  -7.128   5.070 -25.124
  125   1HH2  ARG  15          1HH1      ARG  15  -6.138   5.244 -21.828
  126   2HH2  ARG  15          2HH1      ARG  15  -7.338   4.612 -22.942
  127    H    LYS  16           H        LYS  16  -3.456  12.629 -23.219
  128    HA   LYS  16           HA       LYS  16  -6.082  13.615 -22.449
  129   1HB   LYS  16          2HB       LYS  16  -3.986  14.964 -22.922
  130   2HB   LYS  16          3HB       LYS  16  -4.217  14.636 -24.638
  131   1HG   LYS  16          2HG       LYS  16  -6.447  15.776 -24.520
  132   2HG   LYS  16          3HG       LYS  16  -6.184  16.071 -22.793
  133   1HD   LYS  16          2HD       LYS  16  -4.058  17.319 -23.415
  134   2HD   LYS  16          3HD       LYS  16  -4.518  17.144 -25.119
  135   1HE   LYS  16          2HE       LYS  16  -6.630  18.367 -24.671
  136   2HE   LYS  16          3HE       LYS  16  -6.193  18.493 -22.958
  137   1HZ   LYS  16          1HZ       LYS  16  -5.615  20.524 -24.151
  138   2HZ   LYS  16          2HZ       LYS  16  -4.256  19.812 -23.609
  139   3HZ   LYS  16          3HZ       LYS  16  -4.656  19.710 -25.192
  140    H    LEU  17           H        LEU  17  -7.801  12.530 -23.150
  141    HA   LEU  17           HA       LEU  17  -8.026  11.278 -25.784
  142   1HB   LEU  17          2HB       LEU  17 -10.105  11.748 -23.610
  143   2HB   LEU  17          3HB       LEU  17 -10.293  10.668 -24.983
  144    HG   LEU  17           HG       LEU  17  -8.233  10.292 -22.762
  145   1HD1  LEU  17          1HD1      LEU  17  -9.678   8.462 -22.039
  146   2HD1  LEU  17          2HD1      LEU  17 -10.548  10.005 -22.022
  147   3HD1  LEU  17          3HD1      LEU  17 -10.843   8.839 -23.331
  148   1HD2  LEU  17          1HD2      LEU  17  -7.969   8.029 -23.723
  149   2HD2  LEU  17          2HD2      LEU  17  -9.033   8.473 -25.076
  150   3HD2  LEU  17          3HD2      LEU  17  -7.459   9.275 -24.866
  151    H    ASP  18           H        ASP  18 -10.235  11.641 -26.928
  152    HA   ASP  18           HA       ASP  18 -10.872  14.540 -27.277
  153   1HB   ASP  18          2HB       ASP  18  -9.388  13.895 -29.088
  154   2HB   ASP  18          3HB       ASP  18 -10.381  12.483 -29.456
  155    H    ILE  19           H        ILE  19 -12.760  14.605 -26.282
  156    HA   ILE  19           HA       ILE  19 -15.037  12.855 -27.091
  157    HB   ILE  19           HB       ILE  19 -14.189  13.552 -24.252
  158   1HG1  ILE  19          2HG1      ILE  19 -14.381  10.812 -25.568
  159   2HG1  ILE  19          3HG1      ILE  19 -12.883  11.686 -25.277
  160   1HG2  ILE  19          1HG2      ILE  19 -16.654  13.642 -24.457
  161   2HG2  ILE  19          2HG2      ILE  19 -16.657  12.028 -25.216
  162   3HG2  ILE  19          3HG2      ILE  19 -16.188  12.237 -23.522
  163   1HD1  ILE  19          1HD1      ILE  19 -13.112  10.058 -23.552
  164   2HD1  ILE  19          2HD1      ILE  19 -13.289  11.677 -22.848
  165   3HD1  ILE  19          3HD1      ILE  19 -14.717  10.644 -23.101
  166    H    ASP  20           H        ASP  20 -16.805  14.057 -27.557
  167    HA   ASP  20           HA       ASP  20 -16.848  16.949 -26.862
  168   1HB   ASP  20          2HB       ASP  20 -17.314  16.326 -29.180
  169   2HB   ASP  20          3HB       ASP  20 -18.686  15.342 -28.659
  170    H    PHE  21           H        PHE  21 -17.092  16.722 -24.689
  171    HA   PHE  21           HA       PHE  21 -19.341  15.588 -23.249
  172   1HB   PHE  21          2HB       PHE  21 -17.502  17.925 -22.556
  173   2HB   PHE  21          3HB       PHE  21 -18.525  17.052 -21.441
  174    HD1  PHE  21           HD1      PHE  21 -15.312  17.096 -23.181
  175    HD2  PHE  21           HD2      PHE  21 -17.980  14.703 -20.806
  176    HE1  PHE  21           HE1      PHE  21 -13.453  15.541 -22.667
  177    HE2  PHE  21           HE2      PHE  21 -16.150  13.096 -20.371
  178    HZ   PHE  21           HZ       PHE  21 -13.860  13.531 -21.258
  179    H    GLY  22           H        GLY  22 -18.506  18.686 -24.578
  180   1HA   GLY  22          2HA       GLY  22 -20.564  20.098 -25.470
  181   2HA   GLY  22          3HA       GLY  22 -21.026  20.063 -23.754
  182    H    ALA  23           H        ALA  23 -20.363  22.472 -25.182
  183    HA   ALA  23           HA       ALA  23 -17.858  23.360 -25.449
  184   1HB   ALA  23          1HB       ALA  23 -19.832  24.662 -26.012
  185   2HB   ALA  23          2HB       ALA  23 -20.154  24.977 -24.288
  186   3HB   ALA  23          3HB       ALA  23 -18.700  25.643 -25.058
  187    H    GLU  24           H        GLU  24 -19.430  23.733 -22.254
  188    HA   GLU  24           HA       GLU  24 -17.071  24.847 -20.986
  189   1HB   GLU  24          2HB       GLU  24 -19.555  25.102 -20.299
  190   2HB   GLU  24          3HB       GLU  24 -19.398  23.508 -19.566
  191   1HG   GLU  24          2HG       GLU  24 -19.018  25.035 -17.811
  192   2HG   GLU  24          3HG       GLU  24 -17.411  24.461 -18.239
  193    H    GLY  25           H        GLY  25 -18.512  21.574 -20.933
  194   1HA   GLY  25          2HA       GLY  25 -16.632  20.341 -19.156
  195   2HA   GLY  25          3HA       GLY  25 -17.680  19.505 -20.300
  196    H    ASN  26           H        ASN  26 -16.653  20.687 -22.681
  197    HA   ASN  26           HA       ASN  26 -14.377  19.123 -23.388
  198   1HB   ASN  26          2HB       ASN  26 -15.541  21.661 -24.637
  199   2HB   ASN  26          3HB       ASN  26 -14.265  20.686 -25.368
  200   1HD2  ASN  26          2HD2      ASN  26 -16.436  21.082 -26.924
  201   2HD2  ASN  26          1HD2      ASN  26 -17.392  19.596 -26.974
  202    H    ARG  27           H        ARG  27 -14.666  22.569 -22.562
  203    HA   ARG  27           HA       ARG  27 -11.834  23.222 -22.636
  204   1HB   ARG  27          2HB       ARG  27 -14.225  24.514 -21.262
  205   2HB   ARG  27          3HB       ARG  27 -12.592  25.181 -21.167
  206   1HG   ARG  27          2HG       ARG  27 -12.474  25.567 -23.518
  207   2HG   ARG  27          3HG       ARG  27 -13.914  24.592 -23.841
  208   1HD   ARG  27          2HD       ARG  27 -15.333  26.221 -22.652
  209   2HD   ARG  27          3HD       ARG  27 -13.908  27.166 -22.214
  210    HE   ARG  27           HE       ARG  27 -13.929  28.154 -24.292
  211   1HH1  ARG  27          1HH2      ARG  27 -15.854  25.238 -24.643
  212   2HH1  ARG  27          2HH2      ARG  27 -16.296  25.656 -26.288
  213   1HH2  ARG  27          1HH1      ARG  27 -14.567  28.617 -26.337
  214   2HH2  ARG  27          2HH1      ARG  27 -15.613  27.523 -27.198
  215    H    TYR  28           H        TYR  28 -13.971  22.262 -19.950
  216    HA   TYR  28           HA       TYR  28 -12.044  22.404 -17.885
  217   1HB   TYR  28          2HB       TYR  28 -14.475  22.261 -17.550
  218   2HB   TYR  28          3HB       TYR  28 -14.474  20.595 -18.110
  219    HD1  TYR  28           HD1      TYR  28 -13.909  18.807 -16.654
  220    HD2  TYR  28           HD2      TYR  28 -13.087  22.869 -15.464
  221    HE1  TYR  28           HE1      TYR  28 -13.192  18.010 -14.406
  222    HE2  TYR  28           HE2      TYR  28 -12.375  22.058 -13.207
  223    HH   TYR  28           HH       TYR  28 -12.567  18.601 -12.336
  224    H    TYR  29           H        TYR  29 -13.030  19.475 -19.764
  225    HA   TYR  29           HA       TYR  29 -11.065  17.721 -18.679
  226   1HB   TYR  29          2HB       TYR  29 -12.993  16.935 -19.982
  227   2HB   TYR  29          3HB       TYR  29 -12.347  17.687 -21.434
  228    HD1  TYR  29           HD1      TYR  29 -11.789  15.003 -18.894
  229    HD2  TYR  29           HD2      TYR  29 -10.547  16.631 -22.697
  230    HE1  TYR  29           HE1      TYR  29 -10.329  13.028 -19.264
  231    HE2  TYR  29           HE2      TYR  29  -9.080  14.657 -23.053
  232    HH   TYR  29           HH       TYR  29  -8.747  12.069 -20.606
  233    H    ALA  30           H        ALA  30 -10.871  19.706 -21.711
  234    HA   ALA  30           HA       ALA  30  -8.290  18.952 -22.473
  235   1HB   ALA  30          1HB       ALA  30  -9.825  20.246 -23.883
  236   2HB   ALA  30          2HB       ALA  30  -9.654  21.656 -22.812
  237   3HB   ALA  30          3HB       ALA  30  -8.262  21.073 -23.747
  238    H    ALA  31           H        ALA  31  -9.162  21.432 -20.080
  239    HA   ALA  31           HA       ALA  31  -6.406  22.220 -19.542
  240   1HB   ALA  31          1HB       ALA  31  -9.036  22.793 -18.120
  241   2HB   ALA  31          2HB       ALA  31  -7.482  23.583 -17.773
  242   3HB   ALA  31          3HB       ALA  31  -8.256  23.800 -19.355
  243    H    ASN  32           H        ASN  32  -8.625  19.851 -18.065
  244    HA   ASN  32           HA       ASN  32  -6.636  19.359 -15.875
  245   1HB   ASN  32          2HB       ASN  32  -9.666  19.226 -15.726
  246   2HB   ASN  32          3HB       ASN  32  -8.528  18.959 -14.410
  247   1HD2  ASN  32          2HD2      ASN  32 -10.132  21.358 -16.312
  248   2HD2  ASN  32          1HD2      ASN  32  -9.570  22.738 -15.353
  249    H    TYR  33           H        TYR  33  -7.322  17.744 -18.518
  250    HA   TYR  33           HA       TYR  33  -8.347  15.291 -18.035
  251   1HB   TYR  33          2HB       TYR  33  -7.079  14.411 -19.860
  252   2HB   TYR  33          3HB       TYR  33  -7.612  16.033 -20.230
  253    HD1  TYR  33           HD1      TYR  33  -4.728  13.840 -19.638
  254    HD2  TYR  33           HD2      TYR  33  -5.976  17.911 -20.338
  255    HE1  TYR  33           HE1      TYR  33  -2.382  14.462 -20.188
  256    HE2  TYR  33           HE2      TYR  33  -3.623  18.532 -20.889
  257    HH   TYR  33           HH       TYR  33  -0.956  16.138 -20.805
  258    H    TRP  34           H        TRP  34  -5.142  16.224 -16.951
  259    HA   TRP  34           HA       TRP  34  -3.971  13.782 -16.224
  260   1HB   TRP  34          2HB       TRP  34  -2.646  15.082 -14.661
  261   2HB   TRP  34          3HB       TRP  34  -2.804  15.912 -16.198
  262    HD1  TRP  34           HD1      TRP  34  -4.179  18.201 -16.233
  263    HE1  TRP  34           HE1      TRP  34  -4.967  19.826 -14.389
  264    HE3  TRP  34           HE3      TRP  34  -3.335  15.267 -12.111
  265    HZ2  TRP  34           HZ2      TRP  34  -5.384  19.776 -11.560
  266    HZ3  TRP  34           HZ3      TRP  34  -3.873  16.121  -9.836
  267    HH2  TRP  34           HH2      TRP  34  -4.905  18.362  -9.547
  268    H    GLN  35           H        GLN  35  -6.532  15.522 -14.481
  269    HA   GLN  35           HA       GLN  35  -6.448  13.980 -12.039
  270   1HB   GLN  35          2HB       GLN  35  -8.801  15.426 -13.339
  271   2HB   GLN  35          3HB       GLN  35  -8.728  14.827 -11.679
  272   1HG   GLN  35          2HG       GLN  35  -6.763  16.335 -11.274
  273   2HG   GLN  35          3HG       GLN  35  -7.029  17.049 -12.872
  274   1HE2  GLN  35          2HE2      GLN  35  -9.638  17.530 -13.131
  275   2HE2  GLN  35          1HE2      GLN  35 -10.233  18.523 -11.805
  276    H    PHE  36           H        PHE  36  -8.192  13.574 -15.076
  277    HA   PHE  36           HA       PHE  36 -10.073  11.579 -14.179
  278   1HB   PHE  36          2HB       PHE  36  -9.215  12.464 -16.972
  279   2HB   PHE  36          3HB       PHE  36 -10.588  11.449 -16.632
  280    HD1  PHE  36           HD1      PHE  36  -9.235  14.897 -15.998
  281    HD2  PHE  36           HD2      PHE  36 -12.716  12.382 -16.309
  282    HE1  PHE  36           HE1      PHE  36 -10.675  16.909 -16.027
  283    HE2  PHE  36           HE2      PHE  36 -14.150  14.402 -16.345
  284    HZ   PHE  36           HZ       PHE  36 -13.144  16.655 -16.240
  285    HA   PRO  37           HA       PRO  37  -7.694   7.888 -15.424
  286   1HB   PRO  37          2HB       PRO  37  -9.661   6.070 -15.784
  287   2HB   PRO  37          3HB       PRO  37  -9.294   6.736 -14.175
  288   1HG   PRO  37          2HG       PRO  37 -11.470   7.630 -16.062
  289   2HG   PRO  37          3HG       PRO  37 -11.627   7.208 -14.338
  290   1HD   PRO  37          2HD       PRO  37 -11.317   9.796 -15.164
  291   2HD   PRO  37          3HD       PRO  37 -10.612   9.207 -13.631
  292    H    ASP  38           H        ASP  38  -7.256   6.770 -17.403
  293    HA   ASP  38           HA       ASP  38  -8.793   7.691 -19.815
  294   1HB   ASP  38          2HB       ASP  38  -6.869   7.724 -21.176
  295   2HB   ASP  38          3HB       ASP  38  -6.616   8.782 -19.795
  296    H    GLY  39           H        GLY  39  -7.392   5.019 -18.083
  297   1HA   GLY  39          2HA       GLY  39  -8.923   3.132 -19.849
  298   2HA   GLY  39          3HA       GLY  39  -7.429   2.688 -19.007
  299    H    ILE  40           H        ILE  40  -9.925   1.362 -18.649
  300    HA   ILE  40           HA       ILE  40 -10.195   1.685 -15.705
  301    HB   ILE  40           HB       ILE  40 -12.581   1.361 -17.569
  302   1HG1  ILE  40          2HG1      ILE  40 -11.902   3.554 -15.544
  303   2HG1  ILE  40          3HG1      ILE  40 -11.749   3.711 -17.292
  304   1HG2  ILE  40          1HG2      ILE  40 -13.918   1.233 -15.444
  305   2HG2  ILE  40          2HG2      ILE  40 -12.805  -0.111 -15.579
  306   3HG2  ILE  40          3HG2      ILE  40 -12.403   1.252 -14.518
  307   1HD1  ILE  40          1HD1      ILE  40 -14.212   3.302 -17.527
  308   2HD1  ILE  40          2HD1      ILE  40 -14.333   3.397 -15.750
  309   3HD1  ILE  40          3HD1      ILE  40 -13.760   4.791 -16.673
  310    H    TYR  41           H        TYR  41  -9.737  -0.121 -14.757
  311    HA   TYR  41           HA       TYR  41  -9.333  -2.659 -16.182
  312   1HB   TYR  41          2HB       TYR  41  -7.795  -1.966 -14.400
  313   2HB   TYR  41          3HB       TYR  41  -9.120  -1.816 -13.266
  314    HD1  TYR  41           HD1      TYR  41  -9.853  -3.666 -11.997
  315    HD2  TYR  41           HD2      TYR  41  -7.286  -4.293 -15.396
  316    HE1  TYR  41           HE1      TYR  41  -9.597  -6.058 -11.345
  317    HE2  TYR  41           HE2      TYR  41  -7.046  -6.701 -14.765
  318    HH   TYR  41           HH       TYR  41  -7.607  -8.339 -13.268
  319    H    TYR  42           H        TYR  42 -11.260  -3.562 -16.843
  320    HA   TYR  42           HA       TYR  42 -13.057  -4.590 -14.768
  321   1HB   TYR  42          2HB       TYR  42 -14.049  -2.375 -15.254
  322   2HB   TYR  42          3HB       TYR  42 -14.110  -2.764 -16.968
  323    HD1  TYR  42           HD1      TYR  42 -15.353  -3.862 -13.603
  324    HD2  TYR  42           HD2      TYR  42 -16.000  -3.914 -17.873
  325    HE1  TYR  42           HE1      TYR  42 -17.536  -5.015 -13.260
  326    HE2  TYR  42           HE2      TYR  42 -18.205  -5.033 -17.504
  327    HH   TYR  42           HH       TYR  42 -19.410  -5.874 -14.269
  328    H    GLU  43           H        GLU  43 -13.946  -6.509 -15.320
  329    HA   GLU  43           HA       GLU  43 -13.540  -7.610 -18.079
  330   1HB   GLU  43          2HB       GLU  43 -12.745  -8.967 -15.477
  331   2HB   GLU  43          3HB       GLU  43 -12.678  -9.677 -17.100
  332   1HG   GLU  43          2HG       GLU  43 -11.095  -7.820 -17.767
  333   2HG   GLU  43          3HG       GLU  43 -11.067  -7.315 -16.079
  334    H    GLY  44           H        GLY  44 -15.822  -6.811 -17.824
  335   1HA   GLY  44          2HA       GLY  44 -17.843  -8.243 -16.405
  336   2HA   GLY  44          3HA       GLY  44 -18.114  -7.269 -17.844
  337    H    CYS  45           H        CYS  45 -16.865  -8.548 -19.816
  338    HA   CYS  45           HA       CYS  45 -18.769 -10.473 -20.613
  339   1HB   CYS  45          2HB       CYS  45 -16.134  -9.511 -21.712
  340   2HB   CYS  45          3HB       CYS  45 -17.003 -10.811 -22.512
  341    H    SER  46           H        SER  46 -18.915 -12.551 -20.694
  342    HA   SER  46           HA       SER  46 -16.693 -14.424 -20.172
  343   1HB   SER  46          2HB       SER  46 -17.635 -13.882 -17.931
  344   2HB   SER  46          3HB       SER  46 -19.229 -14.428 -18.481
  345    HG   SER  46           HG       SER  46 -18.032 -16.065 -17.358
  346    H    GLU  47           H        GLU  47 -20.249 -14.158 -20.630
  347    HA   GLU  47           HA       GLU  47 -20.166 -16.050 -22.907
  348   1HB   GLU  47          2HB       GLU  47 -22.138 -17.224 -22.026
  349   2HB   GLU  47          3HB       GLU  47 -20.741 -17.415 -20.969
  350   1HG   GLU  47          2HG       GLU  47 -21.645 -15.749 -19.396
  351   2HG   GLU  47          3HG       GLU  47 -22.983 -15.398 -20.490
  352    H    ALA  48           H        ALA  48 -22.161 -15.990 -24.197
  353    HA   ALA  48           HA       ALA  48 -22.690 -13.528 -25.226
  354   1HB   ALA  48          1HB       ALA  48 -24.448 -16.004 -25.354
  355   2HB   ALA  48          2HB       ALA  48 -24.458 -14.651 -26.507
  356   3HB   ALA  48          3HB       ALA  48 -23.018 -15.673 -26.362
  357    H    ASN  49           H        ASN  49 -24.440 -14.863 -22.515
  358    HA   ASN  49           HA       ASN  49 -26.757 -13.142 -22.567
  359   1HB   ASN  49          2HB       ASN  49 -25.367 -14.671 -20.326
  360   2HB   ASN  49          3HB       ASN  49 -26.838 -13.727 -20.091
  361   1HD2  ASN  49          2HD2      ASN  49 -25.824 -16.876 -20.683
  362   2HD2  ASN  49          1HD2      ASN  49 -27.304 -17.414 -21.480
  363    H    VAL  50           H        VAL  50 -23.443 -12.534 -21.576
  364    HA   VAL  50           HA       VAL  50 -24.057  -9.917 -20.330
  365    HB   VAL  50           HB       VAL  50 -21.372 -11.113 -21.140
  366   1HG1  VAL  50          1HG1      VAL  50 -22.126  -8.690 -19.430
  367   2HG1  VAL  50          2HG1      VAL  50 -20.492  -9.360 -19.568
  368   3HG1  VAL  50          3HG1      VAL  50 -21.266  -8.660 -20.988
  369   1HG2  VAL  50          1HG2      VAL  50 -21.058 -11.510 -18.719
  370   2HG2  VAL  50          2HG2      VAL  50 -22.740 -11.014 -18.421
  371   3HG2  VAL  50          3HG2      VAL  50 -22.384 -12.473 -19.374
  372    H    THR  51           H        THR  51 -25.169  -8.829 -21.941
  373    HA   THR  51           HA       THR  51 -24.126  -8.419 -24.649
  374    HB   THR  51           HB       THR  51 -26.055  -6.865 -24.824
  375    HG1  THR  51           1HG      THR  51 -27.462  -6.835 -22.969
  376   1HG2  THR  51          1HG2      THR  51 -26.442  -9.305 -25.173
  377   2HG2  THR  51          2HG2      THR  51 -26.903  -9.455 -23.463
  378   3HG2  THR  51          3HG2      THR  51 -27.866  -8.445 -24.559
  379    H    LYS  52           H        LYS  52 -24.171  -5.942 -25.367
  380    HA   LYS  52           HA       LYS  52 -22.127  -4.477 -23.971
  381   1HB   LYS  52          2HB       LYS  52 -22.621  -4.142 -26.394
  382   2HB   LYS  52          3HB       LYS  52 -24.167  -3.384 -25.963
  383   1HG   LYS  52          2HG       LYS  52 -22.939  -1.664 -24.643
  384   2HG   LYS  52          3HG       LYS  52 -21.401  -2.427 -25.075
  385   1HD   LYS  52          2HD       LYS  52 -21.782  -1.839 -27.448
  386   2HD   LYS  52          3HD       LYS  52 -23.373  -1.148 -27.021
  387   1HE   LYS  52          2HE       LYS  52 -22.204   0.368 -25.376
  388   2HE   LYS  52          3HE       LYS  52 -20.654  -0.249 -25.955
  389   1HZ   LYS  52          1HZ       LYS  52 -22.640   1.232 -27.599
  390   2HZ   LYS  52          2HZ       LYS  52 -21.245   1.837 -26.993
  391   3HZ   LYS  52          3HZ       LYS  52 -21.201   0.675 -28.150
  392    H    GLU  53           H        GLU  53 -25.664  -3.873 -24.035
  393    HA   GLU  53           HA       GLU  53 -25.610  -1.753 -22.156
  394   1HB   GLU  53          2HB       GLU  53 -27.968  -2.149 -21.751
  395   2HB   GLU  53          3HB       GLU  53 -27.568  -2.146 -23.465
  396   1HG   GLU  53          2HG       GLU  53 -27.686  -4.611 -23.521
  397   2HG   GLU  53          3HG       GLU  53 -28.061  -4.645 -21.792
  398    H    MET  54           H        MET  54 -25.696  -5.248 -21.485
  399    HA   MET  54           HA       MET  54 -25.738  -5.086 -18.622
  400   1HB   MET  54          2HB       MET  54 -24.647  -7.135 -20.561
  401   2HB   MET  54          3HB       MET  54 -24.483  -7.329 -18.823
  402   1HG   MET  54          2HG       MET  54 -27.139  -6.885 -20.233
  403   2HG   MET  54          3HG       MET  54 -26.485  -8.476 -19.861
  404   1HE   MET  54          1HE       MET  54 -26.724  -8.795 -16.034
  405   2HE   MET  54          2HE       MET  54 -26.333  -9.565 -17.587
  406   3HE   MET  54          3HE       MET  54 -25.277  -8.292 -16.930
  407    H    LEU  55           H        LEU  55 -22.885  -5.383 -20.839
  408    HA   LEU  55           HA       LEU  55 -20.909  -5.198 -18.844
  409   1HB   LEU  55          2HB       LEU  55 -20.481  -6.008 -21.075
  410   2HB   LEU  55          3HB       LEU  55 -20.779  -4.428 -21.789
  411    HG   LEU  55           HG       LEU  55 -18.698  -4.511 -19.623
  412   1HD1  LEU  55          1HD1      LEU  55 -16.948  -5.361 -21.103
  413   2HD1  LEU  55          2HD1      LEU  55 -18.187  -6.583 -20.786
  414   3HD1  LEU  55          3HD1      LEU  55 -18.167  -5.723 -22.346
  415   1HD2  LEU  55          1HD2      LEU  55 -19.106  -2.418 -20.912
  416   2HD2  LEU  55          2HD2      LEU  55 -17.474  -3.026 -21.139
  417   3HD2  LEU  55          3HD2      LEU  55 -18.689  -3.269 -22.409
  418    H    VAL  56           H        VAL  56 -22.116  -2.481 -20.878
  419    HA   VAL  56           HA       VAL  56 -20.362  -0.539 -19.759
  420    HB   VAL  56           HB       VAL  56 -23.103   0.039 -20.958
  421   1HG1  VAL  56          1HG1      VAL  56 -20.568   1.753 -20.750
  422   2HG1  VAL  56          2HG1      VAL  56 -22.068   2.216 -21.568
  423   3HG1  VAL  56          3HG1      VAL  56 -22.061   2.006 -19.815
  424   1HG2  VAL  56          1HG2      VAL  56 -21.873   0.399 -23.077
  425   2HG2  VAL  56          2HG2      VAL  56 -20.383  -0.186 -22.297
  426   3HG2  VAL  56          3HG2      VAL  56 -21.729  -1.276 -22.553
  427    H    THR  57           H        THR  57 -23.788  -1.219 -18.922
  428    HA   THR  57           HA       THR  57 -24.024   0.678 -16.800
  429    HB   THR  57           HB       THR  57 -25.533  -1.959 -17.059
  430    HG1  THR  57           1HG      THR  57 -26.008  -1.024 -18.872
  431   1HG2  THR  57          1HG2      THR  57 -26.269   0.696 -15.743
  432   2HG2  THR  57          2HG2      THR  57 -27.361  -0.690 -15.954
  433   3HG2  THR  57          3HG2      THR  57 -25.947  -0.841 -14.904
  434    H    SER  58           H        SER  58 -23.276  -2.850 -16.631
  435    HA   SER  58           HA       SER  58 -22.946  -2.935 -13.796
  436   1HB   SER  58          2HB       SER  58 -23.293  -4.884 -15.351
  437   2HB   SER  58          3HB       SER  58 -21.582  -4.734 -15.805
  438    HG   SER  58           HG       SER  58 -21.959  -6.237 -14.073
  439    H    CYS  59           H        CYS  59 -20.532  -2.360 -16.400
  440    HA   CYS  59           HA       CYS  59 -18.227  -2.011 -14.789
  441   1HB   CYS  59          2HB       CYS  59 -18.072  -2.117 -17.198
  442   2HB   CYS  59          3HB       CYS  59 -19.123  -0.723 -17.393
  443    H    VAL  60           H        VAL  60 -20.551   0.536 -15.845
  444    HA   VAL  60           HA       VAL  60 -19.390   2.684 -14.382
  445    HB   VAL  60           HB       VAL  60 -22.179   2.146 -15.416
  446   1HG1  VAL  60          1HG1      VAL  60 -22.567   3.664 -13.558
  447   2HG1  VAL  60          2HG1      VAL  60 -21.230   4.712 -14.092
  448   3HG1  VAL  60          3HG1      VAL  60 -22.696   4.543 -15.080
  449   1HG2  VAL  60          1HG2      VAL  60 -21.559   3.760 -17.112
  450   2HG2  VAL  60          2HG2      VAL  60 -20.074   4.185 -16.234
  451   3HG2  VAL  60          3HG2      VAL  60 -20.228   2.596 -17.017
  452    H    ASN  61           H        ASN  61 -21.753   0.273 -13.291
  453    HA   ASN  61           HA       ASN  61 -22.033   1.277 -10.577
  454   1HB   ASN  61          2HB       ASN  61 -22.622  -1.368 -11.959
  455   2HB   ASN  61          3HB       ASN  61 -22.714  -1.217 -10.208
  456   1HD2  ASN  61          2HD2      ASN  61 -24.089   0.080 -13.249
  457   2HD2  ASN  61          1HD2      ASN  61 -25.562   0.654 -12.458
  458    H    ALA  62           H        ALA  62 -19.860  -1.266 -11.942
  459    HA   ALA  62           HA       ALA  62 -18.544  -1.919  -9.508
  460   1HB   ALA  62          1HB       ALA  62 -17.521  -2.070 -12.380
  461   2HB   ALA  62          2HB       ALA  62 -16.924  -2.990 -10.986
  462   3HB   ALA  62          3HB       ALA  62 -18.558  -3.279 -11.589
  463    H    THR  63           H        THR  63 -17.774   0.474 -11.984
  464    HA   THR  63           HA       THR  63 -15.327   1.505 -11.026
  465    HB   THR  63           HB       THR  63 -17.506   3.067 -12.460
  466    HG1  THR  63           1HG      THR  63 -16.909   1.288 -13.652
  467   1HG2  THR  63          1HG2      THR  63 -14.487   3.475 -12.284
  468   2HG2  THR  63          2HG2      THR  63 -15.583   4.371 -13.340
  469   3HG2  THR  63          3HG2      THR  63 -15.730   4.537 -11.581
  470    H    GLN  64           H        GLN  64 -18.645   2.645 -10.181
  471    HA   GLN  64           HA       GLN  64 -17.971   4.617  -8.326
  472   1HB   GLN  64          2HB       GLN  64 -20.318   2.692  -8.364
  473   2HB   GLN  64          3HB       GLN  64 -20.171   4.005  -7.198
  474   1HG   GLN  64          2HG       GLN  64 -20.276   5.681  -8.880
  475   2HG   GLN  64          3HG       GLN  64 -20.004   4.513 -10.169
  476   1HE2  GLN  64          2HE2      GLN  64 -21.743   3.608 -11.166
  477   2HE2  GLN  64          1HE2      GLN  64 -23.417   3.826 -10.616
  478    H    ALA  65           H        ALA  65 -18.627   1.163  -7.610
  479    HA   ALA  65           HA       ALA  65 -18.014   1.166  -4.894
  480   1HB   ALA  65          1HB       ALA  65 -19.277  -0.589  -6.063
  481   2HB   ALA  65          2HB       ALA  65 -17.800  -1.112  -6.903
  482   3HB   ALA  65          3HB       ALA  65 -17.928  -1.278  -5.141
  483    H    ALA  66           H        ALA  66 -15.788   0.508  -7.623
  484    HA   ALA  66           HA       ALA  66 -13.544  -0.178  -5.960
  485   1HB   ALA  66          1HB       ALA  66 -13.810  -0.989  -8.253
  486   2HB   ALA  66          2HB       ALA  66 -13.642   0.668  -8.878
  487   3HB   ALA  66          3HB       ALA  66 -12.276  -0.126  -8.050
  488    H    ASN  67           H        ASN  67 -14.555   2.953  -7.343
  489    HA   ASN  67           HA       ASN  67 -12.074   4.217  -6.217
  490   1HB   ASN  67          2HB       ASN  67 -13.659   5.270  -8.573
  491   2HB   ASN  67          3HB       ASN  67 -12.049   5.729  -8.055
  492   1HD2  ASN  67          2HD2      ASN  67 -13.967   3.363  -9.717
  493   2HD2  ASN  67          1HD2      ASN  67 -12.654   2.593 -10.586
  494    H    GLN  68           H        GLN  68 -14.285   3.856  -4.612
  495    HA   GLN  68           HA       GLN  68 -16.165   5.899  -4.324
  496   1HB   GLN  68          2HB       GLN  68 -14.735   4.242  -2.214
  497   2HB   GLN  68          3HB       GLN  68 -16.058   5.353  -1.827
  498   1HG   GLN  68          2HG       GLN  68 -17.592   4.139  -3.291
  499   2HG   GLN  68          3HG       GLN  68 -16.290   3.073  -3.817
  500   1HE2  GLN  68          2HE2      GLN  68 -16.134   1.126  -2.746
  501   2HE2  GLN  68          1HE2      GLN  68 -16.808   0.839  -1.134
  502    H    ALA  69           H        ALA  69 -12.876   5.920  -2.958
  503    HA   ALA  69           HA       ALA  69 -12.958   8.358  -1.554
  504   1HB   ALA  69          1HB       ALA  69 -10.502   8.294  -1.736
  505   2HB   ALA  69          2HB       ALA  69 -11.158   6.693  -1.349
  506   3HB   ALA  69          3HB       ALA  69 -10.611   7.054  -3.004
  507    H    GLU  70           H        GLU  70 -11.964   7.861  -4.970
  508    HA   GLU  70           HA       GLU  70 -11.304  10.572  -5.571
  509   1HB   GLU  70          2HB       GLU  70 -12.293   8.336  -7.386
  510   2HB   GLU  70          3HB       GLU  70 -11.653   9.873  -7.957
  511   1HG   GLU  70          2HG       GLU  70 -10.069   7.916  -6.230
  512   2HG   GLU  70          3HG       GLU  70 -10.019   7.963  -7.985
  513    H    PHE  71           H        PHE  71 -14.409   8.854  -6.071
  514    HA   PHE  71           HA       PHE  71 -15.818  11.170  -7.024
  515   1HB   PHE  71          2HB       PHE  71 -16.925   8.709  -5.630
  516   2HB   PHE  71          3HB       PHE  71 -17.860   9.892  -6.546
  517    HD1  PHE  71           HD1      PHE  71 -16.607  10.401  -9.014
  518    HD2  PHE  71           HD2      PHE  71 -16.644   6.674  -6.825
  519    HE1  PHE  71           HE1      PHE  71 -16.003   9.176 -11.075
  520    HE2  PHE  71           HE2      PHE  71 -16.000   5.480  -8.883
  521    HZ   PHE  71           HZ       PHE  71 -15.662   6.720 -11.001
  522    H    SER  72           H        SER  72 -15.590   9.819  -3.718
  523    HA   SER  72           HA       SER  72 -17.213  11.709  -2.376
  524   1HB   SER  72          2HB       SER  72 -14.748  10.280  -1.310
  525   2HB   SER  72          3HB       SER  72 -15.970  11.113  -0.337
  526    HG   SER  72           HG       SER  72 -16.294   8.815  -1.975
  527    H    ARG  73           H        ARG  73 -13.700  11.881  -2.952
  528    HA   ARG  73           HA       ARG  73 -13.047  14.332  -1.684
  529   1HB   ARG  73          2HB       ARG  73 -11.944  12.931  -4.147
  530   2HB   ARG  73          3HB       ARG  73 -11.235  14.423  -3.531
  531   1HG   ARG  73          2HG       ARG  73 -10.557  13.438  -1.492
  532   2HG   ARG  73          3HG       ARG  73 -11.593  12.025  -1.703
  533   1HD   ARG  73          2HD       ARG  73 -10.238  11.292  -3.640
  534   2HD   ARG  73          3HD       ARG  73  -9.178  12.700  -3.437
  535    HE   ARG  73           HE       ARG  73  -9.084  11.533  -0.962
  536   1HH1  ARG  73          1HH2      ARG  73  -8.407  10.117  -4.161
  537   2HH1  ARG  73          2HH2      ARG  73  -7.309   8.978  -3.436
  538   1HH2  ARG  73          1HH1      ARG  73  -7.679  10.049  -0.209
  539   2HH2  ARG  73          2HH1      ARG  73  -6.910   8.933  -1.300
  540    H    GLU  74           H        GLU  74 -14.083  13.864  -5.040
  541    HA   GLU  74           HA       GLU  74 -14.094  16.740  -5.592
  542   1HB   GLU  74          2HB       GLU  74 -14.955  14.340  -7.255
  543   2HB   GLU  74          3HB       GLU  74 -14.898  16.004  -7.847
  544   1HG   GLU  74          2HG       GLU  74 -12.518  14.376  -6.836
  545   2HG   GLU  74          3HG       GLU  74 -12.903  14.728  -8.514
  546    H    LYS  75           H        LYS  75 -16.708  14.328  -5.730
  547    HA   LYS  75           HA       LYS  75 -18.833  15.882  -6.539
  548   1HB   LYS  75          2HB       LYS  75 -18.760  13.412  -6.329
  549   2HB   LYS  75          3HB       LYS  75 -18.928  13.556  -4.577
  550   1HG   LYS  75          2HG       LYS  75 -21.155  14.614  -4.873
  551   2HG   LYS  75          3HG       LYS  75 -20.997  14.477  -6.628
  552   1HD   LYS  75          2HD       LYS  75 -21.007  12.140  -4.661
  553   2HD   LYS  75          3HD       LYS  75 -22.412  12.712  -5.571
  554   1HE   LYS  75          2HE       LYS  75 -21.219  12.231  -7.710
  555   2HE   LYS  75          3HE       LYS  75 -19.846  11.602  -6.795
  556   1HZ   LYS  75          1HZ       LYS  75 -21.330   9.813  -7.493
  557   2HZ   LYS  75          2HZ       LYS  75 -21.335   9.903  -5.862
  558   3HZ   LYS  75          3HZ       LYS  75 -22.599  10.483  -6.719
  559    H    GLN  76           H        GLN  76 -17.802  15.598  -3.181
  560    HA   GLN  76           HA       GLN  76 -20.034  16.892  -1.948
  561   1HB   GLN  76          2HB       GLN  76 -17.133  16.616  -1.077
  562   2HB   GLN  76          3HB       GLN  76 -18.403  17.268  -0.043
  563   1HG   GLN  76          2HG       GLN  76 -18.430  14.462  -1.243
  564   2HG   GLN  76          3HG       GLN  76 -17.931  14.863   0.395
  565   1HE2  GLN  76          2HE2      GLN  76 -19.654  15.882   1.860
  566   2HE2  GLN  76          1HE2      GLN  76 -21.317  15.394   1.545
  567    H    ASP  77           H        ASP  77 -17.500  18.326  -3.806
  568    HA   ASP  77           HA       ASP  77 -18.461  21.072  -3.065
  569   1HB   ASP  77          2HB       ASP  77 -16.264  20.628  -2.043
  570   2HB   ASP  77          3HB       ASP  77 -15.599  20.217  -3.624
  571    H    SER  78           H        SER  78 -16.838  19.132  -5.589
  572    HA   SER  78           HA       SER  78 -16.895  21.109  -7.634
  573   1HB   SER  78          2HB       SER  78 -15.453  18.950  -7.434
  574   2HB   SER  78          3HB       SER  78 -16.839  18.130  -8.163
  575    HG   SER  78           HG       SER  78 -15.276  20.267  -9.203
  576    H    LYS  79           H        LYS  79 -18.382  21.729  -9.006
  577    HA   LYS  79           HA       LYS  79 -20.991  20.345  -9.291
  578   1HB   LYS  79          2HB       LYS  79 -20.909  22.801  -8.909
  579   2HB   LYS  79          3HB       LYS  79 -19.999  23.012 -10.398
  580   1HG   LYS  79          2HG       LYS  79 -22.292  23.596 -10.792
  581   2HG   LYS  79          3HG       LYS  79 -21.945  22.125 -11.702
  582   1HD   LYS  79          2HD       LYS  79 -23.096  20.766  -9.981
  583   2HD   LYS  79          3HD       LYS  79 -23.344  22.218  -8.984
  584   1HE   LYS  79          2HE       LYS  79 -24.687  23.226 -10.824
  585   2HE   LYS  79          3HE       LYS  79 -24.456  21.763 -11.791
  586   1HZ   LYS  79          1HZ       LYS  79 -25.847  21.869  -9.164
  587   2HZ   LYS  79          2HZ       LYS  79 -26.581  21.723 -10.613
  588   3HZ   LYS  79          3HZ       LYS  79 -25.637  20.514 -10.055
  589    H    LEU  80           H        LEU  80 -18.604  21.683 -11.574
  590    HA   LEU  80           HA       LEU  80 -19.729  20.320 -13.830
  591   1HB   LEU  80          2HB       LEU  80 -18.590  22.491 -13.977
  592   2HB   LEU  80          3HB       LEU  80 -17.057  21.742 -13.529
  593    HG   LEU  80           HG       LEU  80 -17.044  20.434 -15.626
  594   1HD1  LEU  80          1HD1      LEU  80 -19.636  21.912 -16.283
  595   2HD1  LEU  80          2HD1      LEU  80 -18.675  20.955 -17.433
  596   3HD1  LEU  80          3HD1      LEU  80 -19.454  20.154 -16.068
  597   1HD2  LEU  80          1HD2      LEU  80 -16.759  22.319 -17.195
  598   2HD2  LEU  80          2HD2      LEU  80 -17.596  23.396 -16.056
  599   3HD2  LEU  80          3HD2      LEU  80 -16.036  22.672 -15.613
  600    H    HIS  81           H        HIS  81 -16.792  19.544 -11.874
  601    HA   HIS  81           HA       HIS  81 -15.561  17.817 -13.645
  602   1HB   HIS  81          2HB       HIS  81 -14.683  18.650 -11.434
  603   2HB   HIS  81          3HB       HIS  81 -15.600  17.380 -10.650
  604    HD1  HIS  81           HD1      HIS  81 -12.781  16.989  -9.961
  605    HD2  HIS  81           HD2      HIS  81 -14.229  15.818 -13.772
  606    HE1  HIS  81           HE1      HIS  81 -11.077  15.338 -10.937
  607    HE2  HIS  81           HE2      HIS  81 -11.966  14.642 -13.265
  608    H    GLN  82           H        GLN  82 -17.992  16.815 -11.212
  609    HA   GLN  82           HA       GLN  82 -18.033  14.039 -11.791
  610   1HB   GLN  82          2HB       GLN  82 -20.262  15.876 -10.849
  611   2HB   GLN  82          3HB       GLN  82 -20.410  14.116 -10.932
  612   1HG   GLN  82          2HG       GLN  82 -18.378  15.625  -9.233
  613   2HG   GLN  82          3HG       GLN  82 -19.877  14.903  -8.662
  614   1HE2  GLN  82          2HE2      GLN  82 -16.564  14.313  -8.936
  615   2HE2  GLN  82          1HE2      GLN  82 -16.656  12.564  -8.835
  616    H    ARG  83           H        ARG  83 -19.971  16.600 -13.378
  617    HA   ARG  83           HA       ARG  83 -21.544  14.964 -15.106
  618   1HB   ARG  83          2HB       ARG  83 -20.408  17.674 -15.893
  619   2HB   ARG  83          3HB       ARG  83 -21.888  16.931 -16.459
  620   1HG   ARG  83          2HG       ARG  83 -21.410  17.969 -13.626
  621   2HG   ARG  83          3HG       ARG  83 -22.175  18.855 -14.926
  622   1HD   ARG  83          2HD       ARG  83 -23.951  18.069 -13.606
  623   2HD   ARG  83          3HD       ARG  83 -23.955  17.095 -15.069
  624    HE   ARG  83           HE       ARG  83 -23.622  15.211 -13.777
  625   1HH1  ARG  83          1HH2      ARG  83 -22.567  17.877 -11.739
  626   2HH1  ARG  83          2HH2      ARG  83 -22.651  16.898 -10.304
  627   1HH2  ARG  83          1HH1      ARG  83 -23.608  14.030 -11.934
  628   2HH2  ARG  83          2HH1      ARG  83 -23.187  14.778 -10.421
  629    H    VAL  84           H        VAL  84 -18.473  16.516 -15.774
  630    HA   VAL  84           HA       VAL  84 -17.964  15.375 -18.364
  631    HB   VAL  84           HB       VAL  84 -15.930  16.440 -16.370
  632   1HG1  VAL  84          1HG1      VAL  84 -14.584  17.000 -18.299
  633   2HG1  VAL  84          2HG1      VAL  84 -14.985  15.271 -18.404
  634   3HG1  VAL  84          3HG1      VAL  84 -15.844  16.455 -19.405
  635   1HG2  VAL  84          1HG2      VAL  84 -16.192  18.613 -17.575
  636   2HG2  VAL  84          2HG2      VAL  84 -17.571  17.928 -18.466
  637   3HG2  VAL  84          3HG2      VAL  84 -17.657  18.164 -16.712
  638    H    LEU  85           H        LEU  85 -16.715  14.471 -15.138
  639    HA   LEU  85           HA       LEU  85 -15.111  12.282 -15.858
  640   1HB   LEU  85          2HB       LEU  85 -15.064  13.506 -13.722
  641   2HB   LEU  85          3HB       LEU  85 -16.636  12.835 -13.290
  642    HG   LEU  85           HG       LEU  85 -15.642  10.567 -13.183
  643   1HD1  LEU  85          1HD1      LEU  85 -13.775  10.786 -14.775
  644   2HD1  LEU  85          2HD1      LEU  85 -13.006  12.012 -13.733
  645   3HD1  LEU  85          3HD1      LEU  85 -13.166  10.329 -13.183
  646   1HD2  LEU  85          1HD2      LEU  85 -14.281  10.988 -11.152
  647   2HD2  LEU  85          2HD2      LEU  85 -14.149  12.705 -11.591
  648   3HD2  LEU  85          3HD2      LEU  85 -15.732  12.007 -11.183
  649    H    TRP  86           H        TRP  86 -18.571  12.203 -14.864
  650    HA   TRP  86           HA       TRP  86 -18.816   9.362 -15.207
  651   1HB   TRP  86          2HB       TRP  86 -20.819  11.614 -14.984
  652   2HB   TRP  86          3HB       TRP  86 -21.330   9.954 -15.301
  653    HD1  TRP  86           HD1      TRP  86 -20.639  12.104 -12.422
  654    HE1  TRP  86           HE1      TRP  86 -19.858  10.847 -10.341
  655    HE3  TRP  86           HE3      TRP  86 -20.118   7.461 -14.499
  656    HZ2  TRP  86           HZ2      TRP  86 -18.974   8.138  -9.700
  657    HZ3  TRP  86           HZ3      TRP  86 -19.232   5.569 -13.167
  658    HH2  TRP  86           HH2      TRP  86 -18.531   5.948 -10.799
  659    H    ARG  87           H        ARG  87 -19.472  12.014 -17.487
  660    HA   ARG  87           HA       ARG  87 -20.286  10.320 -19.681
  661   1HB   ARG  87          2HB       ARG  87 -20.653  12.679 -19.870
  662   2HB   ARG  87          3HB       ARG  87 -18.953  13.039 -19.603
  663   1HG   ARG  87          2HG       ARG  87 -19.530  13.340 -21.945
  664   2HG   ARG  87          3HG       ARG  87 -18.346  12.054 -21.773
  665   1HD   ARG  87          2HD       ARG  87 -20.241  10.377 -21.965
  666   2HD   ARG  87          3HD       ARG  87 -21.339  11.721 -22.291
  667    HE   ARG  87           HE       ARG  87 -19.395  10.507 -24.126
  668   1HH1  ARG  87          1HH2      ARG  87 -21.120  13.538 -23.649
  669   2HH1  ARG  87          2HH2      ARG  87 -20.571  14.111 -25.215
  670   1HH2  ARG  87          1HH1      ARG  87 -19.024  11.154 -26.015
  671   2HH2  ARG  87          2HH1      ARG  87 -19.581  12.725 -26.629
  672    H    LEU  88           H        LEU  88 -17.035  11.489 -18.807
  673    HA   LEU  88           HA       LEU  88 -15.487  10.083 -20.707
  674   1HB   LEU  88          2HB       LEU  88 -14.593  11.856 -19.416
  675   2HB   LEU  88          3HB       LEU  88 -14.984  11.109 -17.899
  676    HG   LEU  88           HG       LEU  88 -12.599  11.261 -18.446
  677   1HD1  LEU  88          1HD1      LEU  88 -11.949   9.256 -17.501
  678   2HD1  LEU  88          2HD1      LEU  88 -13.556   9.561 -16.839
  679   3HD1  LEU  88          3HD1      LEU  88 -13.324   8.348 -18.125
  680   1HD2  LEU  88          1HD2      LEU  88 -13.127   9.113 -20.525
  681   2HD2  LEU  88          2HD2      LEU  88 -12.597  10.788 -20.814
  682   3HD2  LEU  88          3HD2      LEU  88 -11.544   9.659 -19.944
  683    H    ILE  89           H        ILE  89 -16.299   8.919 -17.389
  684    HA   ILE  89           HA       ILE  89 -15.202   6.322 -17.623
  685    HB   ILE  89           HB       ILE  89 -17.504   7.413 -15.982
  686   1HG1  ILE  89          2HG1      ILE  89 -14.748   6.402 -15.129
  687   2HG1  ILE  89          3HG1      ILE  89 -15.054   8.076 -15.560
  688   1HG2  ILE  89          1HG2      ILE  89 -17.452   5.304 -14.649
  689   2HG2  ILE  89          2HG2      ILE  89 -18.006   5.023 -16.284
  690   3HG2  ILE  89          3HG2      ILE  89 -16.349   4.589 -15.836
  691   1HD1  ILE  89          1HD1      ILE  89 -16.755   8.240 -13.740
  692   2HD1  ILE  89          2HD1      ILE  89 -16.333   6.589 -13.232
  693   3HD1  ILE  89          3HD1      ILE  89 -15.116   7.871 -13.169
  694    H    LYS  90           H        LYS  90 -18.566   7.313 -18.366
  695    HA   LYS  90           HA       LYS  90 -19.388   4.756 -19.376
  696   1HB   LYS  90          2HB       LYS  90 -20.880   6.653 -18.637
  697   2HB   LYS  90          3HB       LYS  90 -20.484   7.497 -20.145
  698   1HG   LYS  90          2HG       LYS  90 -21.417   5.582 -21.442
  699   2HG   LYS  90          3HG       LYS  90 -21.818   4.752 -19.933
  700   1HD   LYS  90          2HD       LYS  90 -22.930   7.461 -20.802
  701   2HD   LYS  90          3HD       LYS  90 -23.749   5.908 -21.019
  702   1HE   LYS  90          2HE       LYS  90 -23.735   5.551 -18.554
  703   2HE   LYS  90          3HE       LYS  90 -22.962   7.128 -18.335
  704   1HZ   LYS  90          1HZ       LYS  90 -25.367   7.280 -18.050
  705   2HZ   LYS  90          2HZ       LYS  90 -24.925   8.158 -19.353
  706   3HZ   LYS  90          3HZ       LYS  90 -25.641   6.701 -19.550
  707    H    GLU  91           H        GLU  91 -18.044   7.576 -21.141
  708    HA   GLU  91           HA       GLU  91 -18.155   6.527 -23.742
  709   1HB   GLU  91          2HB       GLU  91 -17.508   8.881 -22.952
  710   2HB   GLU  91          3HB       GLU  91 -15.895   8.239 -22.645
  711   1HG   GLU  91          2HG       GLU  91 -15.876   9.284 -24.780
  712   2HG   GLU  91          3HG       GLU  91 -15.787   7.553 -25.065
  713    H    ILE  92           H        ILE  92 -15.470   6.161 -21.361
  714    HA   ILE  92           HA       ILE  92 -13.853   4.344 -22.852
  715    HB   ILE  92           HB       ILE  92 -14.259   4.558 -19.845
  716   1HG1  ILE  92          2HG1      ILE  92 -11.944   5.481 -21.600
  717   2HG1  ILE  92          3HG1      ILE  92 -13.247   6.538 -21.075
  718   1HG2  ILE  92          1HG2      ILE  92 -12.166   2.958 -21.399
  719   2HG2  ILE  92          2HG2      ILE  92 -12.145   3.222 -19.646
  720   3HG2  ILE  92          3HG2      ILE  92 -13.433   2.283 -20.349
  721   1HD1  ILE  92          1HD1      ILE  92 -11.404   6.892 -19.587
  722   2HD1  ILE  92          2HD1      ILE  92 -12.661   6.022 -18.680
  723   3HD1  ILE  92          3HD1      ILE  92 -11.225   5.160 -19.274
  724    H    CYS  93           H        CYS  93 -16.430   3.516 -20.440
  725    HA   CYS  93           HA       CYS  93 -16.037   0.744 -21.064
  726   1HB   CYS  93          2HB       CYS  93 -17.332   2.170 -18.972
  727   2HB   CYS  93          3HB       CYS  93 -18.452   0.948 -19.564
  728    H    SER  94           H        SER  94 -18.272   3.027 -22.436
  729    HA   SER  94           HA       SER  94 -19.836   1.160 -23.998
  730   1HB   SER  94          2HB       SER  94 -20.481   3.511 -23.540
  731   2HB   SER  94          3HB       SER  94 -19.140   4.063 -24.563
  732    HG   SER  94           HG       SER  94 -21.145   3.957 -25.688
  733    H    ALA  95           H        ALA  95 -16.781   2.890 -24.625
  734    HA   ALA  95           HA       ALA  95 -16.467   2.173 -27.348
  735   1HB   ALA  95          1HB       ALA  95 -14.106   2.779 -27.042
  736   2HB   ALA  95          2HB       ALA  95 -15.182   3.961 -26.281
  737   3HB   ALA  95          3HB       ALA  95 -14.312   2.776 -25.281
  738    H    LYS  96           H        LYS  96 -15.105   0.476 -24.479
  739    HA   LYS  96           HA       LYS  96 -13.864  -1.644 -25.959
  740   1HB   LYS  96          2HB       LYS  96 -13.774  -2.887 -23.850
  741   2HB   LYS  96          3HB       LYS  96 -13.198  -1.229 -23.706
  742   1HG   LYS  96          2HG       LYS  96 -15.308  -0.559 -22.613
  743   2HG   LYS  96          3HG       LYS  96 -15.960  -2.182 -22.822
  744   1HD   LYS  96          2HD       LYS  96 -15.234  -2.063 -20.579
  745   2HD   LYS  96          3HD       LYS  96 -14.060  -3.067 -21.424
  746   1HE   LYS  96          2HE       LYS  96 -12.547  -1.025 -21.590
  747   2HE   LYS  96          3HE       LYS  96 -13.712  -0.126 -20.617
  748   1HZ   LYS  96          1HZ       LYS  96 -12.328  -2.617 -19.747
  749   2HZ   LYS  96          2HZ       LYS  96 -11.931  -1.121 -19.235
  750   3HZ   LYS  96          3HZ       LYS  96 -13.379  -1.758 -18.836
  751    H    HIS  97           H        HIS  97 -14.453  -3.613 -26.633
  752    HA   HIS  97           HA       HIS  97 -17.296  -4.488 -26.508
  753   1HB   HIS  97          2HB       HIS  97 -15.606  -4.083 -29.019
  754   2HB   HIS  97          3HB       HIS  97 -16.919  -5.219 -28.979
  755    HD1  HIS  97           HD1      HIS  97 -16.784  -1.414 -27.959
  756    HD2  HIS  97           HD2      HIS  97 -18.792  -4.309 -30.269
  757    HE1  HIS  97           HE1      HIS  97 -18.717  -0.190 -29.089
  758    HE2  HIS  97           HE2      HIS  97 -19.975  -1.948 -30.513
  759    H    CYS  98           H        CYS  98 -17.609  -6.727 -27.286
  760    HA   CYS  98           HA       CYS  98 -15.350  -8.542 -26.543
  761   1HB   CYS  98          2HB       CYS  98 -18.272  -8.884 -25.830
  762   2HB   CYS  98          3HB       CYS  98 -16.937  -9.933 -25.359
  763    H    ASP  99           H        ASP  99 -14.957 -10.210 -27.814
  764    HA   ASP  99           HA       ASP  99 -15.712 -10.214 -30.486
  765   1HB   ASP  99          2HB       ASP  99 -14.547 -12.471 -28.810
  766   2HB   ASP  99          3HB       ASP  99 -14.621 -12.471 -30.570
  767    H    PHE 100           H        PHE 100 -17.114 -12.234 -27.917
  768    HA   PHE 100           HA       PHE 100 -18.670 -13.884 -29.704
  769   1HB   PHE 100          2HB       PHE 100 -19.641 -14.817 -27.689
  770   2HB   PHE 100          3HB       PHE 100 -17.899 -14.730 -27.597
  771    HD1  PHE 100           HD1      PHE 100 -20.976 -12.798 -26.551
  772    HD2  PHE 100           HD2      PHE 100 -16.922 -13.936 -25.606
  773    HE1  PHE 100           HE1      PHE 100 -21.179 -11.701 -24.344
  774    HE2  PHE 100           HE2      PHE 100 -17.153 -12.888 -23.381
  775    HZ   PHE 100           HZ       PHE 100 -19.304 -11.736 -22.756
  776    H    TRP 101           H        TRP 101 -19.268 -10.639 -28.947
  777    HA   TRP 101           HA       TRP 101 -22.169 -10.717 -28.752
  778   1HB   TRP 101          2HB       TRP 101 -20.262  -8.492 -29.536
  779   2HB   TRP 101          3HB       TRP 101 -21.999  -8.301 -29.367
  780    HD1  TRP 101           HD1      TRP 101 -21.683 -10.367 -26.596
  781    HE1  TRP 101           HE1      TRP 101 -21.286  -9.121 -24.410
  782    HE3  TRP 101           HE3      TRP 101 -20.091  -5.873 -28.491
  783    HZ2  TRP 101           HZ2      TRP 101 -20.311  -6.569 -23.560
  784    HZ3  TRP 101           HZ3      TRP 101 -19.472  -4.020 -26.933
  785    HH2  TRP 101           HH2      TRP 101 -19.560  -4.365 -24.476
  786    H    LEU 102           H        LEU 102 -22.685 -12.228 -30.266
  787    HA   LEU 102           HA       LEU 102 -22.542 -11.976 -33.081
  788   1HB   LEU 102          2HB       LEU 102 -24.151 -13.717 -33.149
  789   2HB   LEU 102          3HB       LEU 102 -23.033 -14.065 -31.847
  790    HG   LEU 102           HG       LEU 102 -25.826 -12.890 -31.429
  791   1HD1  LEU 102          1HD1      LEU 102 -26.502 -15.162 -30.805
  792   2HD1  LEU 102          2HD1      LEU 102 -25.913 -15.130 -32.472
  793   3HD1  LEU 102          3HD1      LEU 102 -24.874 -15.771 -31.180
  794   1HD2  LEU 102          1HD2      LEU 102 -25.553 -13.823 -29.107
  795   2HD2  LEU 102          2HD2      LEU 102 -23.847 -14.148 -29.473
  796   3HD2  LEU 102          3HD2      LEU 102 -24.477 -12.478 -29.447
  797    H    GLU 103           H        GLU 103 -24.201 -11.587 -34.616
  798    HA   GLU 103           HA       GLU 103 -25.603  -9.090 -34.213
  799   1HB   GLU 103          2HB       GLU 103 -26.224  -9.251 -36.526
  800   2HB   GLU 103          3HB       GLU 103 -24.525  -9.664 -36.321
  801   1HG   GLU 103          2HG       GLU 103 -25.151 -12.108 -36.476
  802   2HG   GLU 103          3HG       GLU 103 -26.815 -11.620 -36.804
  803    H    ARG 104           H        ARG 104 -26.684 -12.433 -34.210
  804    HA   ARG 104           HA       ARG 104 -29.513 -11.871 -34.554
  805   1HB   ARG 104          2HB       ARG 104 -28.120 -14.384 -33.520
  806   2HB   ARG 104          3HB       ARG 104 -29.833 -14.255 -33.934
  807   1HG   ARG 104          2HG       ARG 104 -29.134 -13.535 -36.272
  808   2HG   ARG 104          3HG       ARG 104 -27.477 -13.986 -35.851
  809   1HD   ARG 104          2HD       ARG 104 -29.903 -15.830 -35.788
  810   2HD   ARG 104          3HD       ARG 104 -28.708 -15.754 -37.092
  811    HE   ARG 104           HE       ARG 104 -27.228 -16.262 -34.763
  812   1HH1  ARG 104          1HH2      ARG 104 -29.705 -17.970 -36.545
  813   2HH1  ARG 104          2HH2      ARG 104 -29.136 -19.533 -36.013
  814   1HH2  ARG 104          1HH1      ARG 104 -26.560 -18.272 -34.111
  815   2HH2  ARG 104          2HH1      ARG 104 -27.404 -19.686 -34.678
  816    H    GLY 105           H        GLY 105 -31.201 -12.132 -33.141
  817   1HA   GLY 105          2HA       GLY 105 -31.067 -12.488 -30.311
  818   2HA   GLY 105          3HA       GLY 105 -31.066 -10.756 -30.662
  819    H    ALA 106           H        ALA 106 -33.032  -9.841 -30.743
  820    HA   ALA 106           HA       ALA 106 -35.389 -11.258 -31.830
  821   1HB   ALA 106          1HB       ALA 106 -35.414 -11.737 -29.401
  822   2HB   ALA 106          2HB       ALA 106 -35.317  -9.995 -29.051
  823   3HB   ALA 106          3HB       ALA 106 -36.751 -10.667 -29.856
  824    H    ALA 107           H        ALA 107 -37.181  -9.850 -32.262
  825    HA   ALA 107           HA       ALA 107 -36.721  -6.934 -32.467
  826   1HB   ALA 107          1HB       ALA 107 -37.277  -6.948 -34.873
  827   2HB   ALA 107          2HB       ALA 107 -35.800  -7.880 -34.563
  828   3HB   ALA 107          3HB       ALA 107 -37.337  -8.722 -34.865
  Start of MODEL   11
    1   1H    ARG   1          H1        ARG   1   5.547  -6.465  -5.062
    2   2H    ARG   1          H2        ARG   1   4.268  -6.859  -4.117
    3   3H    ARG   1          H3        ARG   1   5.759  -7.427  -3.759
    4    HA   ARG   1           HA       ARG   1   5.850  -8.728  -5.757
    5   1HB   ARG   1          2HB       ARG   1   5.054  -9.837  -3.747
    6   2HB   ARG   1          3HB       ARG   1   3.398  -9.297  -4.038
    7   1HG   ARG   1          2HG       ARG   1   3.260 -10.666  -6.071
    8   2HG   ARG   1          3HG       ARG   1   4.970 -11.118  -5.929
    9   1HD   ARG   1          2HD       ARG   1   4.533 -12.380  -3.898
   10   2HD   ARG   1          3HD       ARG   1   2.899 -11.722  -3.785
   11    HE   ARG   1           HE       ARG   1   2.133 -13.126  -5.476
   12   1HH1  ARG   1          1HH2      ARG   1   5.622 -13.598  -5.376
   13   2HH1  ARG   1          2HH2      ARG   1   5.483 -14.997  -6.422
   14   1HH2  ARG   1          1HH1      ARG   1   2.092 -14.961  -6.599
   15   2HH2  ARG   1          2HH1      ARG   1   3.603 -15.691  -7.127
   16    H    VAL   2           H        VAL   2   2.354  -7.914  -5.485
   17    HA   VAL   2           HA       VAL   2   1.864  -8.311  -8.290
   18    HB   VAL   2           HB       VAL   2   0.190  -6.859  -6.198
   19   1HG1  VAL   2          1HG1      VAL   2  -1.734  -7.441  -7.673
   20   2HG1  VAL   2          2HG1      VAL   2  -0.634  -6.307  -8.445
   21   3HG1  VAL   2          3HG1      VAL   2  -0.598  -8.024  -8.907
   22   1HG2  VAL   2          1HG2      VAL   2   0.146  -9.763  -7.152
   23   2HG2  VAL   2          2HG2      VAL   2   0.607  -9.199  -5.533
   24   3HG2  VAL   2          3HG2      VAL   2  -1.056  -9.018  -6.078
   25    H    ALA   3           H        ALA   3   1.570  -6.869  -9.971
   26    HA   ALA   3           HA       ALA   3   3.243  -4.533 -10.003
   27   1HB   ALA   3          1HB       ALA   3   2.932  -6.044 -11.928
   28   2HB   ALA   3          2HB       ALA   3   1.208  -5.612 -12.003
   29   3HB   ALA   3          3HB       ALA   3   2.449  -4.394 -12.354
   30    H    GLU   4           H        GLU   4   2.437  -2.456 -11.040
   31    HA   GLU   4           HA       GLU   4   0.373  -1.108  -9.469
   32   1HB   GLU   4          2HB       GLU   4   1.889  -0.344 -12.007
   33   2HB   GLU   4          3HB       GLU   4   0.737   0.704 -11.165
   34   1HG   GLU   4          2HG       GLU   4   2.151   0.684  -9.148
   35   2HG   GLU   4          3HG       GLU   4   3.302  -0.397  -9.946
   36    H    ASN   5           H        ASN   5  -1.788  -1.221  -9.904
   37    HA   ASN   5           HA       ASN   5  -2.721  -2.894 -12.042
   38   1HB   ASN   5          2HB       ASN   5  -3.632  -2.734  -9.698
   39   2HB   ASN   5          3HB       ASN   5  -4.409  -1.216 -10.147
   40   1HD2  ASN   5          2HD2      ASN   5  -5.893  -1.393 -12.145
   41   2HD2  ASN   5          1HD2      ASN   5  -6.759  -2.922 -12.345
   42    H    ARG   6           H        ARG   6  -1.774  -1.652 -13.752
   43    HA   ARG   6           HA       ARG   6  -3.748   0.192 -15.052
   44   1HB   ARG   6          2HB       ARG   6  -1.943   1.240 -16.275
   45   2HB   ARG   6          3HB       ARG   6  -1.652   1.342 -14.538
   46   1HG   ARG   6          2HG       ARG   6  -0.054  -0.582 -14.718
   47   2HG   ARG   6          3HG       ARG   6  -0.359  -0.646 -16.454
   48   1HD   ARG   6          2HD       ARG   6   1.714   0.490 -16.099
   49   2HD   ARG   6          3HD       ARG   6   0.548   1.661 -16.694
   50    HE   ARG   6           HE       ARG   6   1.685   1.465 -13.928
   51   1HH1  ARG   6          2HH1      ARG   6  -0.317   3.387 -16.080
   52   2HH1  ARG   6          1HH1      ARG   6  -0.240   4.764 -15.012
   53   1HH2  ARG   6          1HH2      ARG   6   1.773   3.205 -12.689
   54   2HH2  ARG   6          2HH2      ARG   6   0.902   4.665 -13.130
   55    HA   PRO   7           HA       PRO   7  -4.735  -2.786 -18.045
   56   1HB   PRO   7          2HB       PRO   7  -3.947  -0.808 -20.202
   57   2HB   PRO   7          3HB       PRO   7  -5.397  -1.858 -20.109
   58   1HG   PRO   7          2HG       PRO   7  -5.576   0.734 -19.379
   59   2HG   PRO   7          3HG       PRO   7  -6.332  -0.525 -18.349
   60   1HD   PRO   7          2HD       PRO   7  -3.698   0.904 -17.947
   61   2HD   PRO   7          3HD       PRO   7  -4.972   0.510 -16.754
   62    H    GLY   8           H        GLY   8  -3.550  -4.542 -18.222
   63   1HA   GLY   8          2HA       GLY   8  -1.962  -5.869 -19.582
   64   2HA   GLY   8          3HA       GLY   8  -0.818  -4.540 -19.415
   65    H    ALA   9           H        ALA   9  -1.927  -4.314 -16.448
   66    HA   ALA   9           HA       ALA   9   0.388  -5.295 -15.311
   67   1HB   ALA   9          1HB       ALA   9  -0.964  -3.560 -14.353
   68   2HB   ALA   9          2HB       ALA   9  -2.274  -4.700 -13.977
   69   3HB   ALA   9          3HB       ALA   9  -0.712  -4.832 -13.147
   70    H    PHE  10           H        PHE  10   1.170  -7.046 -14.479
   71    HA   PHE  10           HA       PHE  10   0.068  -9.674 -14.476
   72   1HB   PHE  10          2HB       PHE  10   2.327  -8.256 -13.000
   73   2HB   PHE  10          3HB       PHE  10   1.952  -9.926 -12.686
   74    HD1  PHE  10           HD1      PHE  10   4.420 -10.093 -13.157
   75    HD2  PHE  10           HD2      PHE  10   1.520  -9.239 -16.248
   76    HE1  PHE  10           HE1      PHE  10   5.998 -10.922 -14.875
   77    HE2  PHE  10           HE2      PHE  10   3.112 -10.053 -17.940
   78    HZ   PHE  10           HZ       PHE  10   5.352 -10.893 -17.270
   79    H    ILE  11           H        ILE  11  -1.249 -10.777 -13.070
   80    HA   ILE  11           HA       ILE  11  -1.589  -9.742 -10.289
   81    HB   ILE  11           HB       ILE  11  -3.599 -11.367 -11.870
   82   1HG1  ILE  11          2HG1      ILE  11  -3.821  -8.453 -10.992
   83   2HG1  ILE  11          3HG1      ILE  11  -3.411  -8.953 -12.630
   84   1HG2  ILE  11          1HG2      ILE  11  -3.554 -11.846  -9.441
   85   2HG2  ILE  11          2HG2      ILE  11  -3.732 -10.111  -9.091
   86   3HG2  ILE  11          3HG2      ILE  11  -5.033 -11.020  -9.887
   87   1HD1  ILE  11          1HD1      ILE  11  -5.777  -8.418 -12.546
   88   2HD1  ILE  11          2HD1      ILE  11  -5.577 -10.156 -12.831
   89   3HD1  ILE  11          3HD1      ILE  11  -6.042  -9.549 -11.223
   90    H    LYS  12           H        LYS  12  -0.045 -10.771  -9.353
   91    HA   LYS  12           HA       LYS  12   0.525 -13.685  -9.752
   92   1HB   LYS  12          2HB       LYS  12   2.143 -11.432  -8.488
   93   2HB   LYS  12          3HB       LYS  12   2.650 -13.123  -8.537
   94   1HG   LYS  12          2HG       LYS  12   2.698 -13.132 -10.954
   95   2HG   LYS  12          3HG       LYS  12   2.107 -11.471 -11.034
   96   1HD   LYS  12          2HD       LYS  12   4.726 -12.307  -9.710
   97   2HD   LYS  12          3HD       LYS  12   4.595 -11.765 -11.388
   98   1HE   LYS  12          2HE       LYS  12   3.699  -9.580 -10.657
   99   2HE   LYS  12          3HE       LYS  12   3.737 -10.117  -8.975
  100   1HZ   LYS  12          1HZ       LYS  12   5.655  -8.836  -9.334
  101   2HZ   LYS  12          2HZ       LYS  12   6.199 -10.372  -9.258
  102   3HZ   LYS  12          3HZ       LYS  12   6.108  -9.604 -10.704
  103    H    GLN  13           H        GLN  13  -1.448 -14.214  -8.610
  104    HA   GLN  13           HA       GLN  13  -1.596 -13.842  -5.682
  105   1HB   GLN  13          2HB       GLN  13  -3.202 -15.415  -7.720
  106   2HB   GLN  13          3HB       GLN  13  -3.417 -15.658  -5.989
  107   1HG   GLN  13          2HG       GLN  13  -3.672 -12.970  -7.386
  108   2HG   GLN  13          3HG       GLN  13  -5.032 -14.038  -7.044
  109   1HE2  GLN  13          2HE2      GLN  13  -3.891 -11.219  -5.963
  110   2HE2  GLN  13          1HE2      GLN  13  -4.186 -11.423  -4.247
  111    H    GLY  14           H        GLY  14  -0.787 -16.375  -8.028
  112   1HA   GLY  14          2HA       GLY  14   1.147 -17.838  -7.746
  113   2HA   GLY  14          3HA       GLY  14   0.915 -17.804  -5.997
  114    H    ARG  15           H        ARG  15  -0.724 -18.710  -8.991
  115    HA   ARG  15           HA       ARG  15  -2.038 -21.113  -7.763
  116   1HB   ARG  15          2HB       ARG  15  -3.590 -19.287  -7.731
  117   2HB   ARG  15          3HB       ARG  15  -3.138 -18.788  -9.357
  118   1HG   ARG  15          2HG       ARG  15  -4.237 -20.738 -10.339
  119   2HG   ARG  15          3HG       ARG  15  -4.595 -21.376  -8.721
  120   1HD   ARG  15          2HD       ARG  15  -6.556 -20.278  -9.693
  121   2HD   ARG  15          3HD       ARG  15  -6.008 -19.439  -8.237
  122    HE   ARG  15           HE       ARG  15  -4.852 -17.784  -9.840
  123   1HH1  ARG  15          1HH1      ARG  15  -7.868 -19.288 -10.839
  124   2HH1  ARG  15          2HH1      ARG  15  -8.242 -17.927 -11.868
  125   1HH2  ARG  15          1HH2      ARG  15  -5.332 -16.251 -11.064
  126   2HH2  ARG  15          2HH2      ARG  15  -6.812 -16.206 -12.027
  127    H    LYS  16           H        LYS  16  -1.445 -22.862  -8.817
  128    HA   LYS  16           HA       LYS  16  -0.126 -22.867 -11.388
  129   1HB   LYS  16          2HB       LYS  16   0.220 -24.525  -9.464
  130   2HB   LYS  16          3HB       LYS  16  -1.308 -25.273  -9.942
  131   1HG   LYS  16          2HG       LYS  16  -0.334 -25.548 -12.255
  132   2HG   LYS  16          3HG       LYS  16   1.210 -24.959 -11.654
  133   1HD   LYS  16          2HD       LYS  16   1.410 -26.882 -10.179
  134   2HD   LYS  16          3HD       LYS  16  -0.239 -27.411 -10.542
  135   1HE   LYS  16          2HE       LYS  16   1.999 -27.193 -12.608
  136   2HE   LYS  16          3HE       LYS  16   1.569 -28.683 -11.762
  137   1HZ   LYS  16          1HZ       LYS  16  -0.262 -27.169 -13.568
  138   2HZ   LYS  16          2HZ       LYS  16   0.482 -28.582 -13.917
  139   3HZ   LYS  16          3HZ       LYS  16  -0.654 -28.534 -12.751
  140    H    LEU  17           H        LEU  17  -0.829 -23.270 -13.340
  141    HA   LEU  17           HA       LEU  17  -3.684 -23.922 -13.947
  142   1HB   LEU  17          2HB       LEU  17  -1.557 -22.572 -15.650
  143   2HB   LEU  17          3HB       LEU  17  -3.240 -22.795 -16.106
  144    HG   LEU  17           HG       LEU  17  -2.322 -21.052 -13.769
  145   1HD1  LEU  17          1HD1      LEU  17  -3.228 -20.295 -16.570
  146   2HD1  LEU  17          2HD1      LEU  17  -2.801 -19.177 -15.249
  147   3HD1  LEU  17          3HD1      LEU  17  -1.564 -20.238 -15.949
  148   1HD2  LEU  17          1HD2      LEU  17  -5.037 -21.345 -15.123
  149   2HD2  LEU  17          2HD2      LEU  17  -4.625 -21.865 -13.471
  150   3HD2  LEU  17          3HD2      LEU  17  -4.614 -20.146 -13.879
  151    H    ASP  18           H        ASP  18  -3.754 -24.874 -16.317
  152    HA   ASP  18           HA       ASP  18  -1.774 -27.089 -16.653
  153   1HB   ASP  18          2HB       ASP  18  -3.773 -28.028 -15.648
  154   2HB   ASP  18          3HB       ASP  18  -4.796 -27.268 -16.870
  155    H    ILE  19           H        ILE  19  -0.633 -26.290 -18.262
  156    HA   ILE  19           HA       ILE  19  -1.862 -25.618 -20.895
  157    HB   ILE  19           HB       ILE  19   0.263 -24.047 -19.386
  158   1HG1  ILE  19          2HG1      ILE  19  -2.340 -22.961 -20.528
  159   2HG1  ILE  19          3HG1      ILE  19  -2.218 -23.565 -18.879
  160   1HG2  ILE  19          1HG2      ILE  19   0.954 -24.206 -21.741
  161   2HG2  ILE  19          2HG2      ILE  19  -0.672 -23.715 -22.278
  162   3HG2  ILE  19          3HG2      ILE  19   0.388 -22.582 -21.421
  163   1HD1  ILE  19          1HD1      ILE  19  -0.468 -21.937 -18.337
  164   2HD1  ILE  19          2HD1      ILE  19  -0.609 -21.231 -19.963
  165   3HD1  ILE  19          3HD1      ILE  19  -1.983 -21.170 -18.851
  166    H    ASP  20           H        ASP  20  -0.868 -26.720 -22.511
  167    HA   ASP  20           HA       ASP  20   1.656 -28.202 -21.961
  168   1HB   ASP  20          2HB       ASP  20  -0.197 -29.449 -22.956
  169   2HB   ASP  20          3HB       ASP  20  -0.229 -28.342 -24.332
  170    H    PHE  21           H        PHE  21   3.006 -26.490 -21.825
  171    HA   PHE  21           HA       PHE  21   3.674 -24.567 -23.893
  172   1HB   PHE  21          2HB       PHE  21   5.351 -25.735 -21.629
  173   2HB   PHE  21          3HB       PHE  21   5.717 -24.288 -22.541
  174    HD1  PHE  21           HD1      PHE  21   3.798 -25.697 -19.759
  175    HD2  PHE  21           HD2      PHE  21   4.357 -22.229 -22.237
  176    HE1  PHE  21           HE1      PHE  21   2.580 -24.320 -18.099
  177    HE2  PHE  21           HE2      PHE  21   3.065 -20.864 -20.611
  178    HZ   PHE  21           HZ       PHE  21   2.215 -21.890 -18.515
  179    H    GLY  22           H        GLY  22   4.807 -27.722 -22.919
  180   1HA   GLY  22          2HA       GLY  22   5.722 -29.241 -24.858
  181   2HA   GLY  22          3HA       GLY  22   6.902 -27.926 -25.046
  182    H    ALA  23           H        ALA  23   7.685 -30.565 -24.328
  183    HA   ALA  23           HA       ALA  23   7.639 -31.469 -21.803
  184   1HB   ALA  23          1HB       ALA  23   9.764 -32.621 -22.252
  185   2HB   ALA  23          2HB       ALA  23   8.690 -32.643 -23.665
  186   3HB   ALA  23          3HB       ALA  23  10.078 -31.529 -23.618
  187    H    GLU  24           H        GLU  24  10.280 -29.243 -22.756
  188    HA   GLU  24           HA       GLU  24  11.437 -29.040 -20.110
  189   1HB   GLU  24          2HB       GLU  24  11.635 -27.173 -22.511
  190   2HB   GLU  24          3HB       GLU  24  12.617 -27.043 -21.054
  191   1HG   GLU  24          2HG       GLU  24  12.602 -29.424 -22.963
  192   2HG   GLU  24          3HG       GLU  24  13.805 -28.145 -22.924
  193    H    GLY  25           H        GLY  25   9.215 -26.892 -21.880
  194   1HA   GLY  25          2HA       GLY  25   9.037 -24.854 -19.867
  195   2HA   GLY  25          3HA       GLY  25   7.915 -25.086 -21.207
  196    H    ASN  26           H        ASN  26   7.056 -27.720 -20.485
  197    HA   ASN  26           HA       ASN  26   4.947 -27.310 -18.605
  198   1HB   ASN  26          2HB       ASN  26   6.253 -29.870 -19.655
  199   2HB   ASN  26          3HB       ASN  26   4.788 -29.832 -18.671
  200   1HD2  ASN  26          2HD2      ASN  26   4.602 -31.108 -21.073
  201   2HD2  ASN  26          1HD2      ASN  26   3.659 -30.094 -22.172
  202    H    ARG  27           H        ARG  27   8.031 -29.043 -18.294
  203    HA   ARG  27           HA       ARG  27   7.879 -29.648 -15.466
  204   1HB   ARG  27          2HB       ARG  27  10.239 -29.377 -17.377
  205   2HB   ARG  27          3HB       ARG  27  10.398 -29.893 -15.694
  206   1HG   ARG  27          2HG       ARG  27   8.993 -31.841 -16.071
  207   2HG   ARG  27          3HG       ARG  27   8.623 -31.324 -17.722
  208   1HD   ARG  27          2HD       ARG  27  11.018 -31.497 -18.326
  209   2HD   ARG  27          3HD       ARG  27  11.405 -32.045 -16.695
  210    HE   ARG  27           HE       ARG  27  10.119 -33.571 -18.861
  211   1HH1  ARG  27          1HH2      ARG  27  10.727 -33.620 -15.408
  212   2HH1  ARG  27          2HH2      ARG  27  10.456 -35.341 -15.308
  213   1HH2  ARG  27          1HH1      ARG  27   9.794 -35.735 -18.658
  214   2HH2  ARG  27          2HH1      ARG  27   9.942 -36.495 -17.097
  215    H    TYR  28           H        TYR  28   9.398 -26.919 -17.205
  216    HA   TYR  28           HA       TYR  28  10.438 -25.584 -14.940
  217   1HB   TYR  28          2HB       TYR  28  11.066 -25.122 -17.274
  218   2HB   TYR  28          3HB       TYR  28   9.486 -24.414 -17.577
  219    HD1  TYR  28           HD1      TYR  28   8.995 -22.164 -16.944
  220    HD2  TYR  28           HD2      TYR  28  12.602 -24.056 -15.527
  221    HE1  TYR  28           HE1      TYR  28   9.753 -20.003 -15.968
  222    HE2  TYR  28           HE2      TYR  28  13.356 -21.879 -14.555
  223    HH   TYR  28           HH       TYR  28  11.431 -18.900 -14.960
  224    H    TYR  29           H        TYR  29   7.306 -24.926 -16.618
  225    HA   TYR  29           HA       TYR  29   6.334 -23.004 -14.769
  226   1HB   TYR  29          2HB       TYR  29   5.368 -23.345 -16.995
  227   2HB   TYR  29          3HB       TYR  29   4.795 -24.942 -16.532
  228    HD1  TYR  29           HD1      TYR  29   4.444 -21.275 -15.831
  229    HD2  TYR  29           HD2      TYR  29   2.741 -25.209 -15.289
  230    HE1  TYR  29           HE1      TYR  29   2.439 -20.262 -14.782
  231    HE2  TYR  29           HE2      TYR  29   0.737 -24.190 -14.250
  232    HH   TYR  29           HH       TYR  29   0.464 -20.657 -13.714
  233    H    ALA  30           H        ALA  30   5.718 -26.576 -14.807
  234    HA   ALA  30           HA       ALA  30   4.099 -26.718 -12.525
  235   1HB   ALA  30          1HB       ALA  30   4.822 -29.073 -12.404
  236   2HB   ALA  30          2HB       ALA  30   4.485 -28.585 -14.076
  237   3HB   ALA  30          3HB       ALA  30   6.166 -28.727 -13.512
  238    H    ALA  31           H        ALA  31   7.658 -26.586 -12.621
  239    HA   ALA  31           HA       ALA  31   7.944 -26.773  -9.717
  240   1HB   ALA  31          1HB       ALA  31  10.339 -26.448 -10.248
  241   2HB   ALA  31          2HB       ALA  31   9.604 -27.730 -11.229
  242   3HB   ALA  31          3HB       ALA  31   9.917 -26.138 -11.947
  243    H    ASN  32           H        ASN  32   7.620 -24.070 -11.977
  244    HA   ASN  32           HA       ASN  32   8.406 -22.145  -9.816
  245   1HB   ASN  32          2HB       ASN  32   8.955 -21.977 -12.797
  246   2HB   ASN  32          3HB       ASN  32   9.379 -20.766 -11.595
  247   1HD2  ASN  32          2HD2      ASN  32  10.247 -23.832 -12.934
  248   2HD2  ASN  32          1HD2      ASN  32  11.774 -23.983 -12.044
  249    H    TYR  33           H        TYR  33   5.563 -22.961 -11.167
  250    HA   TYR  33           HA       TYR  33   4.386 -20.779 -12.272
  251   1HB   TYR  33          2HB       TYR  33   2.249 -21.556 -11.546
  252   2HB   TYR  33          3HB       TYR  33   3.256 -22.890 -12.054
  253    HD1  TYR  33           HD1      TYR  33   3.842 -24.662 -10.536
  254    HD2  TYR  33           HD2      TYR  33   1.725 -21.185  -9.113
  255    HE1  TYR  33           HE1      TYR  33   3.317 -25.853  -8.425
  256    HE2  TYR  33           HE2      TYR  33   1.232 -22.367  -6.970
  257    HH   TYR  33           HH       TYR  33   2.345 -25.714  -6.349
  258    H    TRP  34           H        TRP  34   5.165 -20.972  -8.871
  259    HA   TRP  34           HA       TRP  34   3.675 -18.860  -7.757
  260   1HB   TRP  34          2HB       TRP  34   5.384 -18.787  -6.048
  261   2HB   TRP  34          3HB       TRP  34   4.995 -20.447  -6.461
  262    HD1  TRP  34           HD1      TRP  34   6.898 -21.921  -7.589
  263    HE1  TRP  34           HE1      TRP  34   9.449 -21.640  -7.839
  264    HE3  TRP  34           HE3      TRP  34   7.335 -17.001  -6.212
  265    HZ2  TRP  34           HZ2      TRP  34  11.376 -19.530  -7.666
  266    HZ3  TRP  34           HZ3      TRP  34   9.566 -15.897  -6.201
  267    HH2  TRP  34           HH2      TRP  34  11.586 -17.142  -6.935
  268    H    GLN  35           H        GLN  35   6.495 -18.595  -9.884
  269    HA   GLN  35           HA       GLN  35   6.945 -15.746  -9.434
  270   1HB   GLN  35          2HB       GLN  35   7.742 -17.455 -11.836
  271   2HB   GLN  35          3HB       GLN  35   8.366 -15.865 -11.403
  272   1HG   GLN  35          2HG       GLN  35   9.244 -16.839  -9.264
  273   2HG   GLN  35          3HG       GLN  35   8.782 -18.445  -9.845
  274   1HE2  GLN  35          2HE2      GLN  35   9.591 -18.740 -12.332
  275   2HE2  GLN  35          1HE2      GLN  35  11.297 -18.355 -12.525
  276    H    PHE  36           H        PHE  36   4.995 -17.630 -11.693
  277    HA   PHE  36           HA       PHE  36   4.737 -15.611 -13.711
  278   1HB   PHE  36          2HB       PHE  36   3.243 -18.210 -13.205
  279   2HB   PHE  36          3HB       PHE  36   2.987 -17.208 -14.612
  280    HD1  PHE  36           HD1      PHE  36   5.681 -19.117 -12.822
  281    HD2  PHE  36           HD2      PHE  36   4.313 -17.464 -16.550
  282    HE1  PHE  36           HE1      PHE  36   7.418 -20.414 -14.021
  283    HE2  PHE  36           HE2      PHE  36   6.039 -18.777 -17.746
  284    HZ   PHE  36           HZ       PHE  36   7.566 -20.268 -16.506
  285    HA   PRO  37           HA       PRO  37   0.931 -13.558 -12.310
  286   1HB   PRO  37          2HB       PRO  37   0.107 -12.430 -14.634
  287   2HB   PRO  37          3HB       PRO  37   1.581 -11.895 -13.781
  288   1HG   PRO  37          2HG       PRO  37   1.396 -13.791 -16.143
  289   2HG   PRO  37          3HG       PRO  37   2.464 -12.380 -15.951
  290   1HD   PRO  37          2HD       PRO  37   3.274 -14.924 -15.378
  291   2HD   PRO  37          3HD       PRO  37   3.881 -13.505 -14.474
  292    H    ASP  38           H        ASP  38  -0.430 -15.238 -11.700
  293    HA   ASP  38           HA       ASP  38  -1.545 -17.121 -13.627
  294   1HB   ASP  38          2HB       ASP  38  -2.870 -17.970 -11.802
  295   2HB   ASP  38          3HB       ASP  38  -1.179 -17.790 -11.338
  296    H    GLY  39           H        GLY  39  -2.443 -13.921 -12.645
  297   1HA   GLY  39          2HA       GLY  39  -4.749 -14.014 -14.548
  298   2HA   GLY  39          3HA       GLY  39  -4.859 -13.124 -13.019
  299    H    ILE  40           H        ILE  40  -5.128 -11.906 -15.574
  300    HA   ILE  40           HA       ILE  40  -2.952  -9.897 -15.359
  301    HB   ILE  40           HB       ILE  40  -3.861 -11.038 -18.029
  302   1HG1  ILE  40          2HG1      ILE  40  -1.117 -11.050 -16.669
  303   2HG1  ILE  40          3HG1      ILE  40  -2.181 -12.446 -16.826
  304   1HG2  ILE  40          1HG2      ILE  40  -3.567  -8.577 -18.150
  305   2HG2  ILE  40          2HG2      ILE  40  -1.976  -8.727 -17.376
  306   3HG2  ILE  40          3HG2      ILE  40  -2.264  -9.377 -19.002
  307   1HD1  ILE  40          1HD1      ILE  40  -2.031 -12.232 -19.331
  308   2HD1  ILE  40          2HD1      ILE  40  -0.738 -11.032 -19.071
  309   3HD1  ILE  40          3HD1      ILE  40  -0.543 -12.689 -18.478
  310    H    TYR  41           H        TYR  41  -3.759  -8.001 -15.052
  311    HA   TYR  41           HA       TYR  41  -6.609  -7.371 -15.358
  312   1HB   TYR  41          2HB       TYR  41  -5.329  -6.460 -13.460
  313   2HB   TYR  41          3HB       TYR  41  -4.200  -5.697 -14.563
  314    HD1  TYR  41           HD1      TYR  41  -7.846  -5.820 -13.695
  315    HD2  TYR  41           HD2      TYR  41  -4.611  -3.523 -15.350
  316    HE1  TYR  41           HE1      TYR  41  -9.399  -3.882 -14.045
  317    HE2  TYR  41           HE2      TYR  41  -6.138  -1.568 -15.661
  318    HH   TYR  41           HH       TYR  41  -9.636  -1.810 -14.999
  319    H    TYR  42           H        TYR  42  -7.197  -7.330 -17.477
  320    HA   TYR  42           HA       TYR  42  -6.400  -5.007 -19.017
  321   1HB   TYR  42          2HB       TYR  42  -4.658  -6.592 -19.780
  322   2HB   TYR  42          3HB       TYR  42  -5.896  -7.763 -20.218
  323    HD1  TYR  42           HD1      TYR  42  -6.872  -7.690 -22.398
  324    HD2  TYR  42           HD2      TYR  42  -4.764  -4.244 -20.887
  325    HE1  TYR  42           HE1      TYR  42  -7.096  -6.565 -24.617
  326    HE2  TYR  42           HE2      TYR  42  -5.051  -3.105 -23.082
  327    HH   TYR  42           HH       TYR  42  -5.945  -3.234 -25.177
  328    H    GLU  43           H        GLU  43  -8.037  -4.282 -20.235
  329    HA   GLU  43           HA       GLU  43 -10.489  -5.930 -20.682
  330   1HB   GLU  43          2HB       GLU  43 -10.395  -3.173 -19.394
  331   2HB   GLU  43          3HB       GLU  43 -11.859  -4.023 -19.920
  332   1HG   GLU  43          2HG       GLU  43 -11.279  -5.900 -18.353
  333   2HG   GLU  43          3HG       GLU  43  -9.905  -4.958 -17.787
  334    H    GLY  44           H        GLY  44  -9.526  -6.033 -22.754
  335   1HA   GLY  44          2HA       GLY  44  -9.084  -3.779 -24.482
  336   2HA   GLY  44          3HA       GLY  44  -9.245  -5.451 -25.002
  337    H    CYS  45           H        CYS  45 -11.984  -5.635 -23.851
  338    HA   CYS  45           HA       CYS  45 -13.490  -5.354 -26.134
  339   1HB   CYS  45          2HB       CYS  45 -14.454  -5.316 -23.252
  340   2HB   CYS  45          3HB       CYS  45 -15.431  -5.737 -24.653
  341    H    SER  46           H        SER  46 -14.083  -3.669 -27.259
  342    HA   SER  46           HA       SER  46 -15.153  -1.187 -25.967
  343   1HB   SER  46          2HB       SER  46 -13.298  -1.300 -28.376
  344   2HB   SER  46          3HB       SER  46 -14.076   0.147 -27.717
  345    HG   SER  46           HG       SER  46 -12.183  -1.541 -26.405
  346    H    GLU  47           H        GLU  47 -14.859  -2.702 -29.230
  347    HA   GLU  47           HA       GLU  47 -17.750  -2.668 -29.666
  348   1HB   GLU  47          2HB       GLU  47 -17.580  -1.335 -31.740
  349   2HB   GLU  47          3HB       GLU  47 -17.192  -0.381 -30.312
  350   1HG   GLU  47          2HG       GLU  47 -14.774  -0.568 -30.800
  351   2HG   GLU  47          3HG       GLU  47 -15.114  -1.619 -32.175
  352    H    ALA  48           H        ALA  48 -18.302  -3.713 -31.787
  353    HA   ALA  48           HA       ALA  48 -17.233  -6.212 -32.026
  354   1HB   ALA  48          1HB       ALA  48 -19.445  -5.519 -32.825
  355   2HB   ALA  48          2HB       ALA  48 -18.693  -4.615 -34.163
  356   3HB   ALA  48          3HB       ALA  48 -18.557  -6.385 -34.091
  357    H    ASN  49           H        ASN  49 -15.965  -3.406 -33.714
  358    HA   ASN  49           HA       ASN  49 -14.355  -4.755 -35.687
  359   1HB   ASN  49          2HB       ASN  49 -14.110  -2.025 -34.357
  360   2HB   ASN  49          3HB       ASN  49 -13.020  -2.594 -35.619
  361   1HD2  ASN  49          2HD2      ASN  49 -15.774  -0.732 -35.215
  362   2HD2  ASN  49          1HD2      ASN  49 -16.423  -0.981 -36.838
  363    H    VAL  50           H        VAL  50 -13.861  -4.273 -32.241
  364    HA   VAL  50           HA       VAL  50 -11.073  -5.278 -32.249
  365    HB   VAL  50           HB       VAL  50 -13.013  -4.854 -29.929
  366   1HG1  VAL  50          1HG1      VAL  50 -10.009  -5.396 -29.943
  367   2HG1  VAL  50          2HG1      VAL  50 -10.994  -5.000 -28.517
  368   3HG1  VAL  50          3HG1      VAL  50 -11.269  -6.515 -29.373
  369   1HG2  VAL  50          1HG2      VAL  50 -11.619  -2.876 -29.416
  370   2HG2  VAL  50          2HG2      VAL  50 -10.712  -3.125 -30.925
  371   3HG2  VAL  50          3HG2      VAL  50 -12.440  -2.708 -30.971
  372    H    THR  51           H        THR  51 -11.268  -7.234 -33.347
  373    HA   THR  51           HA       THR  51 -13.107  -9.368 -32.602
  374    HB   THR  51           HB       THR  51 -11.739 -10.748 -34.090
  375    HG1  THR  51           1HG      THR  51  -9.930  -9.736 -35.108
  376   1HG2  THR  51          1HG2      THR  51 -12.032  -7.993 -35.354
  377   2HG2  THR  51          2HG2      THR  51 -11.969  -9.562 -36.178
  378   3HG2  THR  51          3HG2      THR  51 -13.355  -9.163 -35.147
  379    H    LYS  52           H        LYS  52 -12.008 -11.616 -32.094
  380    HA   LYS  52           HA       LYS  52 -10.604 -11.531 -29.579
  381   1HB   LYS  52          2HB       LYS  52 -11.989 -13.444 -30.263
  382   2HB   LYS  52          3HB       LYS  52 -10.860 -13.824 -31.576
  383   1HG   LYS  52          2HG       LYS  52  -9.077 -14.297 -29.974
  384   2HG   LYS  52          3HG       LYS  52 -10.082 -13.746 -28.620
  385   1HD   LYS  52          2HD       LYS  52 -11.659 -15.573 -28.977
  386   2HD   LYS  52          3HD       LYS  52 -10.782 -16.122 -30.411
  387   1HE   LYS  52          2HE       LYS  52  -9.565 -15.991 -27.611
  388   2HE   LYS  52          3HE       LYS  52 -10.365 -17.424 -28.265
  389   1HZ   LYS  52          1HZ       LYS  52  -7.952 -16.159 -29.452
  390   2HZ   LYS  52          2HZ       LYS  52  -7.982 -17.564 -28.622
  391   3HZ   LYS  52          3HZ       LYS  52  -8.729 -17.461 -30.064
  392    H    GLU  53           H        GLU  53  -9.370 -12.222 -32.851
  393    HA   GLU  53           HA       GLU  53  -6.619 -12.463 -32.221
  394   1HB   GLU  53          2HB       GLU  53  -7.915 -11.296 -34.719
  395   2HB   GLU  53          3HB       GLU  53  -6.203 -11.711 -34.562
  396   1HG   GLU  53          2HG       GLU  53  -6.829 -14.074 -34.061
  397   2HG   GLU  53          3HG       GLU  53  -8.529 -13.668 -34.307
  398    H    MET  54           H        MET  54  -8.418  -9.463 -32.993
  399    HA   MET  54           HA       MET  54  -6.322  -7.588 -32.540
  400   1HB   MET  54          2HB       MET  54  -9.323  -7.423 -32.247
  401   2HB   MET  54          3HB       MET  54  -8.289  -6.053 -31.887
  402   1HG   MET  54          2HG       MET  54  -8.284  -7.540 -34.538
  403   2HG   MET  54          3HG       MET  54  -9.230  -6.088 -34.225
  404   1HE   MET  54          1HE       MET  54  -7.275  -4.162 -32.554
  405   2HE   MET  54          2HE       MET  54  -6.648  -3.248 -33.941
  406   3HE   MET  54          3HE       MET  54  -8.354  -3.748 -33.906
  407    H    LEU  55           H        LEU  55  -8.777  -8.801 -30.150
  408    HA   LEU  55           HA       LEU  55  -7.748  -7.303 -27.988
  409   1HB   LEU  55          2HB       LEU  55  -9.984  -8.320 -28.120
  410   2HB   LEU  55          3HB       LEU  55  -9.300  -9.924 -27.855
  411    HG   LEU  55           HG       LEU  55  -8.656  -7.704 -25.890
  412   1HD1  LEU  55          1HD1      LEU  55 -11.078  -7.526 -26.208
  413   2HD1  LEU  55          2HD1      LEU  55 -11.254  -9.264 -25.870
  414   3HD1  LEU  55          3HD1      LEU  55 -10.682  -8.158 -24.603
  415   1HD2  LEU  55          1HD2      LEU  55  -8.756  -9.511 -24.228
  416   2HD2  LEU  55          2HD2      LEU  55  -9.245 -10.673 -25.479
  417   3HD2  LEU  55          3HD2      LEU  55  -7.628  -9.952 -25.502
  418    H    VAL  56           H        VAL  56  -7.011 -10.743 -28.812
  419    HA   VAL  56           HA       VAL  56  -5.278 -11.188 -26.594
  420    HB   VAL  56           HB       VAL  56  -5.034 -12.531 -29.314
  421   1HG1  VAL  56          1HG1      VAL  56  -4.055 -14.393 -28.049
  422   2HG1  VAL  56          2HG1      VAL  56  -3.105 -12.943 -27.714
  423   3HG1  VAL  56          3HG1      VAL  56  -4.285 -13.542 -26.519
  424   1HG2  VAL  56          1HG2      VAL  56  -7.313 -12.886 -28.509
  425   2HG2  VAL  56          2HG2      VAL  56  -6.399 -14.353 -28.192
  426   3HG2  VAL  56          3HG2      VAL  56  -6.735 -13.192 -26.883
  427    H    THR  57           H        THR  57  -4.461 -10.079 -29.891
  428    HA   THR  57           HA       THR  57  -1.657  -9.687 -29.498
  429    HB   THR  57           HB       THR  57  -3.528  -8.105 -31.318
  430    HG1  THR  57           1HG      THR  57  -3.734 -10.144 -31.928
  431   1HG2  THR  57          1HG2      THR  57  -1.498  -7.853 -32.733
  432   2HG2  THR  57          2HG2      THR  57  -1.316  -7.042 -31.175
  433   3HG2  THR  57          3HG2      THR  57  -0.521  -8.611 -31.457
  434    H    SER  58           H        SER  58  -4.348  -7.337 -29.126
  435    HA   SER  58           HA       SER  58  -2.767  -5.128 -28.255
  436   1HB   SER  58          2HB       SER  58  -5.659  -5.728 -27.571
  437   2HB   SER  58          3HB       SER  58  -4.836  -4.164 -27.426
  438    HG   SER  58           HG       SER  58  -5.427  -5.629 -29.783
  439    H    CYS  59           H        CYS  59  -4.370  -7.689 -26.369
  440    HA   CYS  59           HA       CYS  59  -3.692  -6.817 -23.755
  441   1HB   CYS  59          2HB       CYS  59  -5.376  -8.511 -24.254
  442   2HB   CYS  59          3HB       CYS  59  -4.183  -9.570 -24.962
  443    H    VAL  60           H        VAL  60  -1.892  -9.110 -25.879
  444    HA   VAL  60           HA       VAL  60   0.405  -9.429 -24.215
  445    HB   VAL  60           HB       VAL  60   0.015  -9.562 -27.215
  446   1HG1  VAL  60          1HG1      VAL  60   2.552 -10.240 -25.685
  447   2HG1  VAL  60          2HG1      VAL  60   2.203 -10.713 -27.360
  448   3HG1  VAL  60          3HG1      VAL  60   2.368  -9.006 -26.956
  449   1HG2  VAL  60          1HG2      VAL  60   0.189 -11.961 -26.851
  450   2HG2  VAL  60          2HG2      VAL  60   0.587 -11.712 -25.135
  451   3HG2  VAL  60          3HG2      VAL  60  -1.037 -11.322 -25.749
  452    H    ASN  61           H        ASN  61  -0.210  -6.953 -26.713
  453    HA   ASN  61           HA       ASN  61   2.210  -5.455 -26.352
  454   1HB   ASN  61          2HB       ASN  61  -0.524  -4.838 -27.520
  455   2HB   ASN  61          3HB       ASN  61   0.655  -3.554 -27.290
  456   1HD2  ASN  61          2HD2      ASN  61   0.118  -6.649 -28.992
  457   2HD2  ASN  61          1HD2      ASN  61   1.366  -6.324 -30.201
  458    H    ALA  62           H        ALA  62  -0.991  -5.010 -24.732
  459    HA   ALA  62           HA       ALA  62  -0.226  -2.792 -23.107
  460   1HB   ALA  62          1HB       ALA  62  -2.554  -3.490 -23.539
  461   2HB   ALA  62          2HB       ALA  62  -2.290  -4.990 -22.622
  462   3HB   ALA  62          3HB       ALA  62  -2.215  -3.419 -21.803
  463    H    THR  63           H        THR  63  -0.159  -6.289 -22.493
  464    HA   THR  63           HA       THR  63   0.873  -6.302 -19.870
  465    HB   THR  63           HB       THR  63   1.405  -8.407 -22.000
  466    HG1  THR  63           1HG      THR  63  -0.781  -8.081 -21.788
  467   1HG2  THR  63          1HG2      THR  63   1.462  -9.936 -20.060
  468   2HG2  THR  63          2HG2      THR  63   2.744  -8.720 -19.943
  469   3HG2  THR  63          3HG2      THR  63   1.270  -8.567 -18.957
  470    H    GLN  64           H        GLN  64   2.759  -6.415 -22.957
  471    HA   GLN  64           HA       GLN  64   5.344  -6.309 -21.921
  472   1HB   GLN  64          2HB       GLN  64   4.131  -5.114 -24.424
  473   2HB   GLN  64          3HB       GLN  64   5.832  -4.864 -24.024
  474   1HG   GLN  64          2HG       GLN  64   6.277  -7.234 -24.034
  475   2HG   GLN  64          3HG       GLN  64   4.554  -7.592 -24.197
  476   1HE2  GLN  64          2HE2      GLN  64   4.740  -8.756 -26.177
  477   2HE2  GLN  64          1HE2      GLN  64   5.206  -7.938 -27.666
  478    H    ALA  65           H        ALA  65   3.370  -3.440 -22.815
  479    HA   ALA  65           HA       ALA  65   5.089  -1.466 -21.882
  480   1HB   ALA  65          1HB       ALA  65   3.122   0.006 -22.042
  481   2HB   ALA  65          2HB       ALA  65   3.214  -1.102 -23.424
  482   3HB   ALA  65          3HB       ALA  65   2.052  -1.410 -22.114
  483    H    ALA  66           H        ALA  66   2.397  -2.993 -20.088
  484    HA   ALA  66           HA       ALA  66   2.615  -1.397 -17.727
  485   1HB   ALA  66          1HB       ALA  66   1.110  -3.124 -16.769
  486   2HB   ALA  66          2HB       ALA  66   0.579  -2.574 -18.370
  487   3HB   ALA  66          3HB       ALA  66   1.393  -4.144 -18.199
  488    H    ASN  67           H        ASN  67   4.219  -4.466 -18.587
  489    HA   ASN  67           HA       ASN  67   5.460  -4.567 -15.854
  490   1HB   ASN  67          2HB       ASN  67   4.847  -6.953 -17.621
  491   2HB   ASN  67          3HB       ASN  67   5.279  -6.953 -15.925
  492   1HD2  ASN  67          2HD2      ASN  67   2.777  -6.553 -18.227
  493   2HD2  ASN  67          1HD2      ASN  67   1.417  -6.608 -17.117
  494    H    GLN  68           H        GLN  68   6.667  -3.135 -17.887
  495    HA   GLN  68           HA       GLN  68   8.666  -4.366 -19.423
  496   1HB   GLN  68          2HB       GLN  68   8.673  -1.673 -18.008
  497   2HB   GLN  68          3HB       GLN  68   9.944  -2.181 -19.130
  498   1HG   GLN  68          2HG       GLN  68   8.347  -2.392 -20.959
  499   2HG   GLN  68          3HG       GLN  68   7.002  -2.065 -19.871
  500   1HE2  GLN  68          2HE2      GLN  68   6.282   0.040 -19.795
  501   2HE2  GLN  68          1HE2      GLN  68   7.257   1.425 -20.309
  502    H    ALA  69           H        ALA  69   9.055  -3.235 -16.056
  503    HA   ALA  69           HA       ALA  69  11.732  -4.010 -15.636
  504   1HB   ALA  69          1HB       ALA  69  11.152  -3.861 -13.244
  505   2HB   ALA  69          2HB       ALA  69  10.452  -2.513 -14.159
  506   3HB   ALA  69          3HB       ALA  69   9.422  -3.872 -13.648
  507    H    GLU  70           H        GLU  70   8.778  -5.950 -15.212
  508    HA   GLU  70           HA       GLU  70   9.912  -8.257 -13.971
  509   1HB   GLU  70          2HB       GLU  70   7.523  -8.241 -15.843
  510   2HB   GLU  70          3HB       GLU  70   7.915  -9.428 -14.613
  511   1HG   GLU  70          2HG       GLU  70   7.088  -6.535 -14.106
  512   2HG   GLU  70          3HG       GLU  70   6.070  -7.954 -13.925
  513    H    PHE  71           H        PHE  71   9.255  -7.639 -17.430
  514    HA   PHE  71           HA       PHE  71  10.562 -10.017 -18.404
  515   1HB   PHE  71          2HB       PHE  71  10.047  -7.369 -19.818
  516   2HB   PHE  71          3HB       PHE  71  10.467  -8.890 -20.599
  517    HD1  PHE  71           HD1      PHE  71   8.838 -10.956 -19.590
  518    HD2  PHE  71           HD2      PHE  71   7.758  -6.802 -20.156
  519    HE1  PHE  71           HE1      PHE  71   6.440 -11.555 -19.563
  520    HE2  PHE  71           HE2      PHE  71   5.380  -7.415 -20.012
  521    HZ   PHE  71           HZ       PHE  71   4.713  -9.779 -19.714
  522    H    SER  72           H        SER  72  11.712  -6.659 -18.103
  523    HA   SER  72           HA       SER  72  14.162  -6.874 -19.392
  524   1HB   SER  72          2HB       SER  72  13.495  -5.118 -17.001
  525   2HB   SER  72          3HB       SER  72  14.928  -4.944 -18.030
  526    HG   SER  72           HG       SER  72  12.199  -4.695 -18.779
  527    H    ARG  73           H        ARG  73  13.757  -7.287 -15.832
  528    HA   ARG  73           HA       ARG  73  16.525  -7.814 -15.346
  529   1HB   ARG  73          2HB       ARG  73  15.934  -8.539 -13.163
  530   2HB   ARG  73          3HB       ARG  73  14.995  -7.108 -13.590
  531   1HG   ARG  73          2HG       ARG  73  13.001  -8.559 -13.978
  532   2HG   ARG  73          3HG       ARG  73  13.961  -9.978 -13.516
  533   1HD   ARG  73          2HD       ARG  73  14.366  -9.046 -11.294
  534   2HD   ARG  73          3HD       ARG  73  13.477  -7.582 -11.706
  535    HE   ARG  73           HE       ARG  73  12.354 -10.314 -11.256
  536   1HH1  ARG  73          1HH2      ARG  73  11.613  -6.943 -11.886
  537   2HH1  ARG  73          2HH2      ARG  73   9.895  -7.200 -11.608
  538   1HH2  ARG  73          1HH1      ARG  73  10.177 -10.544 -10.952
  539   2HH2  ARG  73          2HH1      ARG  73   9.111  -9.181 -11.206
  540    H    GLU  74           H        GLU  74  13.932 -10.092 -15.872
  541    HA   GLU  74           HA       GLU  74  15.460 -12.523 -15.647
  542   1HB   GLU  74          2HB       GLU  74  12.923 -11.920 -17.224
  543   2HB   GLU  74          3HB       GLU  74  13.602 -13.535 -17.021
  544   1HG   GLU  74          2HG       GLU  74  12.656 -11.730 -14.749
  545   2HG   GLU  74          3HG       GLU  74  11.748 -13.066 -15.446
  546    H    LYS  75           H        LYS  75  14.518 -10.737 -18.573
  547    HA   LYS  75           HA       LYS  75  15.711 -12.255 -20.561
  548   1HB   LYS  75          2HB       LYS  75  14.137 -10.360 -20.829
  549   2HB   LYS  75          3HB       LYS  75  15.450  -9.222 -20.495
  550   1HG   LYS  75          2HG       LYS  75  16.627  -9.967 -22.532
  551   2HG   LYS  75          3HG       LYS  75  15.389 -11.211 -22.812
  552   1HD   LYS  75          2HD       LYS  75  13.673  -9.434 -23.073
  553   2HD   LYS  75          3HD       LYS  75  14.914  -8.195 -22.778
  554   1HE   LYS  75          2HE       LYS  75  16.181  -9.000 -24.761
  555   2HE   LYS  75          3HE       LYS  75  14.945 -10.230 -25.055
  556   1HZ   LYS  75          1HZ       LYS  75  13.332  -8.431 -25.400
  557   2HZ   LYS  75          2HZ       LYS  75  14.477  -7.294 -25.127
  558   3HZ   LYS  75          3HZ       LYS  75  14.583  -8.265 -26.433
  559    H    GLN  76           H        GLN  76  17.474 -10.129 -18.412
  560    HA   GLN  76           HA       GLN  76  19.905  -9.832 -19.878
  561   1HB   GLN  76          2HB       GLN  76  19.678 -10.153 -16.860
  562   2HB   GLN  76          3HB       GLN  76  21.005  -9.427 -17.759
  563   1HG   GLN  76          2HG       GLN  76  18.234  -8.318 -17.303
  564   2HG   GLN  76          3HG       GLN  76  19.770  -7.642 -16.807
  565   1HE2  GLN  76          2HE2      GLN  76  17.324  -7.360 -19.091
  566   2HE2  GLN  76          1HE2      GLN  76  18.242  -6.481 -20.326
  567    H    ASP  77           H        ASP  77  18.729 -12.595 -18.054
  568    HA   ASP  77           HA       ASP  77  21.225 -14.154 -18.671
  569   1HB   ASP  77          2HB       ASP  77  21.254 -13.294 -16.358
  570   2HB   ASP  77          3HB       ASP  77  19.700 -14.069 -16.044
  571    H    SER  78           H        SER  78  17.745 -14.338 -17.929
  572    HA   SER  78           HA       SER  78  17.438 -17.167 -18.128
  573   1HB   SER  78          2HB       SER  78  15.837 -15.395 -17.111
  574   2HB   SER  78          3HB       SER  78  15.266 -15.161 -18.771
  575    HG   SER  78           HG       SER  78  15.251 -17.530 -17.190
  576    H    LYS  79           H        LYS  79  16.518 -18.412 -19.676
  577    HA   LYS  79           HA       LYS  79  16.239 -17.409 -22.491
  578   1HB   LYS  79          2HB       LYS  79  17.434 -20.077 -21.641
  579   2HB   LYS  79          3HB       LYS  79  16.950 -19.663 -23.293
  580   1HG   LYS  79          2HG       LYS  79  18.523 -17.721 -23.247
  581   2HG   LYS  79          3HG       LYS  79  19.088 -18.226 -21.651
  582   1HD   LYS  79          2HD       LYS  79  19.265 -19.914 -24.189
  583   2HD   LYS  79          3HD       LYS  79  20.575 -18.929 -23.524
  584   1HE   LYS  79          2HE       LYS  79  20.510 -20.255 -21.418
  585   2HE   LYS  79          3HE       LYS  79  19.235 -21.272 -22.102
  586   1HZ   LYS  79          1HZ       LYS  79  21.416 -22.292 -22.385
  587   2HZ   LYS  79          2HZ       LYS  79  20.798 -21.938 -23.853
  588   3HZ   LYS  79          3HZ       LYS  79  21.978 -21.004 -23.214
  589    H    LEU  80           H        LEU  80  15.446 -20.360 -20.676
  590    HA   LEU  80           HA       LEU  80  13.084 -20.927 -22.092
  591   1HB   LEU  80          2HB       LEU  80  14.391 -22.568 -20.806
  592   2HB   LEU  80          3HB       LEU  80  13.895 -21.806 -19.295
  593    HG   LEU  80           HG       LEU  80  11.541 -22.450 -19.713
  594   1HD1  LEU  80          1HD1      LEU  80  11.459 -22.485 -22.177
  595   2HD1  LEU  80          2HD1      LEU  80  12.629 -23.826 -22.214
  596   3HD1  LEU  80          3HD1      LEU  80  11.004 -24.062 -21.533
  597   1HD2  LEU  80          1HD2      LEU  80  13.505 -24.759 -20.022
  598   2HD2  LEU  80          2HD2      LEU  80  13.012 -23.995 -18.495
  599   3HD2  LEU  80          3HD2      LEU  80  11.825 -24.887 -19.463
  600    H    HIS  81           H        HIS  81  13.365 -19.125 -18.965
  601    HA   HIS  81           HA       HIS  81  10.690 -19.183 -18.224
  602   1HB   HIS  81          2HB       HIS  81  12.656 -18.233 -16.912
  603   2HB   HIS  81          3HB       HIS  81  12.458 -16.758 -17.834
  604    HD1  HIS  81           HD1      HIS  81  12.061 -16.004 -15.039
  605    HD2  HIS  81           HD2      HIS  81   8.979 -17.987 -17.177
  606    HE1  HIS  81           HE1      HIS  81   9.885 -15.695 -13.698
  607    HE2  HIS  81           HE2      HIS  81   8.020 -16.885 -15.025
  608    H    GLN  82           H        GLN  82  12.224 -16.712 -20.294
  609    HA   GLN  82           HA       GLN  82   9.999 -15.057 -20.776
  610   1HB   GLN  82          2HB       GLN  82  12.287 -15.753 -22.658
  611   2HB   GLN  82          3HB       GLN  82  11.150 -14.424 -22.903
  612   1HG   GLN  82          2HG       GLN  82  13.017 -14.671 -20.494
  613   2HG   GLN  82          3HG       GLN  82  13.337 -13.711 -21.930
  614   1HE2  GLN  82          2HE2      GLN  82  11.916 -11.815 -22.387
  615   2HE2  GLN  82          1HE2      GLN  82  11.076 -11.097 -21.017
  616    H    ARG  83           H        ARG  83  10.918 -17.962 -22.667
  617    HA   ARG  83           HA       ARG  83   8.783 -17.773 -24.611
  618   1HB   ARG  83          2HB       ARG  83  10.464 -20.148 -23.676
  619   2HB   ARG  83          3HB       ARG  83   9.197 -20.273 -24.888
  620   1HG   ARG  83          2HG       ARG  83  11.141 -20.070 -26.140
  621   2HG   ARG  83          3HG       ARG  83  10.382 -18.479 -26.238
  622   1HD   ARG  83          2HD       ARG  83  11.967 -17.648 -24.501
  623   2HD   ARG  83          3HD       ARG  83  12.696 -19.267 -24.413
  624    HE   ARG  83           HE       ARG  83  12.814 -18.472 -27.113
  625   1HH1  ARG  83          1HH2      ARG  83  14.220 -17.365 -24.112
  626   2HH1  ARG  83          2HH2      ARG  83  15.519 -16.518 -24.938
  627   1HH2  ARG  83          1HH1      ARG  83  14.519 -17.466 -28.088
  628   2HH2  ARG  83          2HH1      ARG  83  15.708 -16.636 -27.123
  629    H    VAL  84           H        VAL  84   9.016 -19.732 -21.680
  630    HA   VAL  84           HA       VAL  84   6.367 -20.825 -21.706
  631    HB   VAL  84           HB       VAL  84   8.101 -20.240 -19.278
  632   1HG1  VAL  84          1HG1      VAL  84   6.931 -22.072 -18.197
  633   2HG1  VAL  84          2HG1      VAL  84   5.712 -20.906 -18.752
  634   3HG1  VAL  84          3HG1      VAL  84   5.996 -22.405 -19.651
  635   1HG2  VAL  84          1HG2      VAL  84   8.872 -22.583 -19.510
  636   2HG2  VAL  84          2HG2      VAL  84   7.955 -22.733 -21.031
  637   3HG2  VAL  84          3HG2      VAL  84   9.339 -21.640 -20.920
  638    H    LEU  85           H        LEU  85   7.621 -17.919 -20.046
  639    HA   LEU  85           HA       LEU  85   5.228 -16.982 -18.900
  640   1HB   LEU  85          2HB       LEU  85   7.505 -16.276 -18.311
  641   2HB   LEU  85          3HB       LEU  85   7.670 -15.458 -19.865
  642    HG   LEU  85           HG       LEU  85   5.923 -13.845 -19.218
  643   1HD1  LEU  85          1HD1      LEU  85   5.914 -15.334 -16.550
  644   2HD1  LEU  85          2HD1      LEU  85   5.150 -13.757 -16.854
  645   3HD1  LEU  85          3HD1      LEU  85   4.548 -15.191 -17.688
  646   1HD2  LEU  85          1HD2      LEU  85   7.240 -12.712 -17.451
  647   2HD2  LEU  85          2HD2      LEU  85   8.107 -14.225 -17.114
  648   3HD2  LEU  85          3HD2      LEU  85   8.305 -13.414 -18.681
  649    H    TRP  86           H        TRP  86   6.586 -16.091 -22.135
  650    HA   TRP  86           HA       TRP  86   4.372 -14.435 -22.847
  651   1HB   TRP  86          2HB       TRP  86   6.480 -15.856 -24.483
  652   2HB   TRP  86          3HB       TRP  86   5.167 -14.954 -25.247
  653    HD1  TRP  86           HD1      TRP  86   8.557 -14.331 -24.180
  654    HE1  TRP  86           HE1      TRP  86   9.004 -11.895 -23.485
  655    HE3  TRP  86           HE3      TRP  86   3.735 -12.612 -24.169
  656    HZ2  TRP  86           HZ2      TRP  86   7.417  -9.596 -22.695
  657    HZ3  TRP  86           HZ3      TRP  86   3.216 -10.315 -23.393
  658    HH2  TRP  86           HH2      TRP  86   5.042  -8.861 -22.523
  659    H    ARG  87           H        ARG  87   4.819 -17.924 -23.435
  660    HA   ARG  87           HA       ARG  87   2.293 -18.320 -24.767
  661   1HB   ARG  87          2HB       ARG  87   4.002 -20.044 -24.796
  662   2HB   ARG  87          3HB       ARG  87   3.967 -20.172 -23.043
  663   1HG   ARG  87          2HG       ARG  87   2.802 -22.052 -24.025
  664   2HG   ARG  87          3HG       ARG  87   1.654 -21.068 -23.128
  665   1HD   ARG  87          2HD       ARG  87   0.922 -20.018 -25.293
  666   2HD   ARG  87          3HD       ARG  87   2.029 -21.088 -26.163
  667    HE   ARG  87           HE       ARG  87  -0.596 -21.755 -25.047
  668   1HH1  ARG  87          1HH2      ARG  87   2.417 -23.339 -25.942
  669   2HH1  ARG  87          2HH2      ARG  87   1.676 -24.911 -25.686
  670   1HH2  ARG  87          1HH1      ARG  87  -1.426 -23.609 -25.014
  671   2HH2  ARG  87          2HH1      ARG  87  -0.502 -25.083 -25.363
  672    H    LEU  88           H        LEU  88   3.079 -18.563 -21.307
  673    HA   LEU  88           HA       LEU  88   0.504 -19.027 -20.245
  674   1HB   LEU  88          2HB       LEU  88   2.508 -19.321 -18.995
  675   2HB   LEU  88          3HB       LEU  88   2.989 -17.659 -19.174
  676    HG   LEU  88           HG       LEU  88   2.245 -18.376 -16.924
  677   1HD1  LEU  88          1HD1      LEU  88   1.257 -16.358 -16.316
  678   2HD1  LEU  88          2HD1      LEU  88   2.274 -15.972 -17.709
  679   3HD1  LEU  88          3HD1      LEU  88   0.510 -16.102 -17.894
  680   1HD2  LEU  88          1HD2      LEU  88   0.348 -19.781 -17.495
  681   2HD2  LEU  88          2HD2      LEU  88  -0.098 -18.493 -16.359
  682   3HD2  LEU  88          3HD2      LEU  88  -0.565 -18.361 -18.062
  683    H    ILE  89           H        ILE  89   2.067 -15.830 -20.754
  684    HA   ILE  89           HA       ILE  89  -0.153 -14.182 -20.133
  685    HB   ILE  89           HB       ILE  89   2.173 -13.789 -22.036
  686   1HG1  ILE  89          2HG1      ILE  89   1.577 -12.385 -19.394
  687   2HG1  ILE  89          3HG1      ILE  89   2.451 -13.904 -19.450
  688   1HG2  ILE  89          1HG2      ILE  89   1.556 -11.362 -22.097
  689   2HG2  ILE  89          2HG2      ILE  89   0.367 -12.367 -22.900
  690   3HG2  ILE  89          3HG2      ILE  89   0.035 -11.745 -21.275
  691   1HD1  ILE  89          1HD1      ILE  89   3.342 -11.304 -20.757
  692   2HD1  ILE  89          2HD1      ILE  89   4.028 -12.089 -19.327
  693   3HD1  ILE  89          3HD1      ILE  89   4.181 -12.864 -20.915
  694    H    LYS  90           H        LYS  90   0.740 -15.478 -23.368
  695    HA   LYS  90           HA       LYS  90  -1.503 -14.442 -24.757
  696   1HB   LYS  90          2HB       LYS  90   0.607 -15.447 -25.747
  697   2HB   LYS  90          3HB       LYS  90  -0.070 -17.047 -25.386
  698   1HG   LYS  90          2HG       LYS  90  -2.072 -16.442 -26.833
  699   2HG   LYS  90          3HG       LYS  90  -1.272 -14.907 -27.197
  700   1HD   LYS  90          2HD       LYS  90  -0.833 -16.337 -29.031
  701   2HD   LYS  90          3HD       LYS  90   0.682 -16.257 -28.113
  702   1HE   LYS  90          2HE       LYS  90   0.158 -18.443 -27.059
  703   2HE   LYS  90          3HE       LYS  90  -1.395 -18.491 -27.905
  704   1HZ   LYS  90          1HZ       LYS  90  -0.170 -18.547 -30.013
  705   2HZ   LYS  90          2HZ       LYS  90   1.266 -18.510 -29.235
  706   3HZ   LYS  90          3HZ       LYS  90   0.279 -19.802 -29.075
  707    H    GLU  91           H        GLU  91  -1.214 -17.643 -23.210
  708    HA   GLU  91           HA       GLU  91  -3.830 -18.618 -23.750
  709   1HB   GLU  91          2HB       GLU  91  -2.031 -19.008 -21.336
  710   2HB   GLU  91          3HB       GLU  91  -3.563 -19.841 -21.512
  711   1HG   GLU  91          2HG       GLU  91  -1.276 -20.025 -23.522
  712   2HG   GLU  91          3HG       GLU  91  -1.535 -21.152 -22.203
  713    H    ILE  92           H        ILE  92  -2.835 -16.578 -20.940
  714    HA   ILE  92           HA       ILE  92  -5.496 -16.222 -19.908
  715    HB   ILE  92           HB       ILE  92  -3.024 -14.477 -19.619
  716   1HG1  ILE  92          2HG1      ILE  92  -4.354 -16.462 -17.717
  717   2HG1  ILE  92          3HG1      ILE  92  -2.941 -16.833 -18.698
  718   1HG2  ILE  92          1HG2      ILE  92  -5.706 -14.336 -18.149
  719   2HG2  ILE  92          2HG2      ILE  92  -4.248 -13.446 -17.679
  720   3HG2  ILE  92          3HG2      ILE  92  -5.017 -13.081 -19.205
  721   1HD1  ILE  92          1HD1      ILE  92  -1.702 -14.961 -17.567
  722   2HD1  ILE  92          2HD1      ILE  92  -3.072 -14.814 -16.441
  723   3HD1  ILE  92          3HD1      ILE  92  -2.153 -16.325 -16.519
  724    H    CYS  93           H        CYS  93  -3.604 -14.140 -22.130
  725    HA   CYS  93           HA       CYS  93  -5.582 -12.158 -22.590
  726   1HB   CYS  93          2HB       CYS  93  -3.289 -13.212 -24.262
  727   2HB   CYS  93          3HB       CYS  93  -4.293 -11.875 -24.787
  728    H    SER  94           H        SER  94  -5.130 -15.289 -24.226
  729    HA   SER  94           HA       SER  94  -7.352 -15.091 -26.066
  730   1HB   SER  94          2HB       SER  94  -6.006 -17.545 -24.879
  731   2HB   SER  94          3HB       SER  94  -7.149 -17.537 -26.229
  732    HG   SER  94           HG       SER  94  -4.587 -16.321 -26.097
  733    H    ALA  95           H        ALA  95  -7.102 -16.377 -22.782
  734    HA   ALA  95           HA       ALA  95  -9.633 -17.630 -22.628
  735   1HB   ALA  95          1HB       ALA  95  -7.977 -16.450 -20.358
  736   2HB   ALA  95          2HB       ALA  95  -9.274 -17.648 -20.204
  737   3HB   ALA  95          3HB       ALA  95  -7.786 -18.071 -21.066
  738    H    LYS  96           H        LYS  96  -8.782 -14.314 -21.579
  739    HA   LYS  96           HA       LYS  96 -11.475 -13.527 -20.834
  740   1HB   LYS  96          2HB       LYS  96 -10.636 -11.211 -20.945
  741   2HB   LYS  96          3HB       LYS  96  -9.608 -12.282 -19.991
  742   1HG   LYS  96          2HG       LYS  96  -8.024 -12.458 -21.900
  743   2HG   LYS  96          3HG       LYS  96  -9.060 -11.401 -22.847
  744   1HD   LYS  96          2HD       LYS  96  -7.206 -10.153 -22.063
  745   2HD   LYS  96          3HD       LYS  96  -8.630  -9.550 -21.230
  746   1HE   LYS  96          2HE       LYS  96  -7.017 -11.703 -19.836
  747   2HE   LYS  96          3HE       LYS  96  -6.228 -10.147 -20.055
  748   1HZ   LYS  96          1HZ       LYS  96  -7.349 -10.063 -17.985
  749   2HZ   LYS  96          2HZ       LYS  96  -8.215  -9.099 -18.998
  750   3HZ   LYS  96          3HZ       LYS  96  -8.774 -10.586 -18.605
  751    H    HIS  97           H        HIS  97 -13.102 -12.544 -21.966
  752    HA   HIS  97           HA       HIS  97 -12.987 -12.429 -24.942
  753   1HB   HIS  97          2HB       HIS  97 -14.966 -13.997 -23.220
  754   2HB   HIS  97          3HB       HIS  97 -15.258 -13.617 -24.904
  755    HD1  HIS  97           HD1      HIS  97 -11.702 -14.695 -24.757
  756    HD2  HIS  97           HD2      HIS  97 -15.575 -16.408 -24.753
  757    HE1  HIS  97           HE1      HIS  97 -11.430 -17.143 -25.497
  758    HE2  HIS  97           HE2      HIS  97 -13.783 -18.186 -25.492
  759    H    CYS  98           H        CYS  98 -14.918 -11.445 -25.912
  760    HA   CYS  98           HA       CYS  98 -16.191  -9.350 -24.191
  761   1HB   CYS  98          2HB       CYS  98 -15.764  -9.260 -27.186
  762   2HB   CYS  98          3HB       CYS  98 -16.369  -7.976 -26.152
  763    H    ASP  99           H        ASP  99 -18.342  -9.190 -24.112
  764    HA   ASP  99           HA       ASP  99 -20.062 -11.318 -24.846
  765   1HB   ASP  99          2HB       ASP  99 -20.434  -9.742 -22.982
  766   2HB   ASP  99          3HB       ASP  99 -20.717  -8.434 -24.130
  767    H    PHE 100           H        PHE 100 -19.458  -8.229 -26.488
  768    HA   PHE 100           HA       PHE 100 -21.606  -8.411 -28.372
  769   1HB   PHE 100          2HB       PHE 100 -20.494  -6.504 -29.471
  770   2HB   PHE 100          3HB       PHE 100 -20.745  -6.293 -27.754
  771    HD1  PHE 100           HD1      PHE 100 -18.995  -5.390 -26.484
  772    HD2  PHE 100           HD2      PHE 100 -18.054  -7.429 -30.169
  773    HE1  PHE 100           HE1      PHE 100 -16.628  -4.740 -26.244
  774    HE2  PHE 100           HE2      PHE 100 -15.670  -6.821 -29.889
  775    HZ   PHE 100           HZ       PHE 100 -14.932  -5.513 -27.935
  776    H    TRP 101           H        TRP 101 -18.698 -10.224 -28.440
  777    HA   TRP 101           HA       TRP 101 -18.084 -10.186 -31.215
  778   1HB   TRP 101          2HB       TRP 101 -17.629 -12.291 -29.084
  779   2HB   TRP 101          3HB       TRP 101 -17.080 -12.480 -30.742
  780    HD1  TRP 101           HD1      TRP 101 -16.269  -9.181 -30.820
  781    HE1  TRP 101           HE1      TRP 101 -13.959  -8.590 -29.960
  782    HE3  TRP 101           HE3      TRP 101 -15.291 -13.415 -28.066
  783    HZ2  TRP 101           HZ2      TRP 101 -11.944  -9.731 -28.319
  784    HZ3  TRP 101           HZ3      TRP 101 -13.090 -13.644 -26.920
  785    HH2  TRP 101           HH2      TRP 101 -11.402 -11.808 -27.044
  786    H    LEU 102           H        LEU 102 -18.844 -10.977 -32.946
  787    HA   LEU 102           HA       LEU 102 -21.039 -12.946 -33.063
  788   1HB   LEU 102          2HB       LEU 102 -22.501 -11.327 -34.242
  789   2HB   LEU 102          3HB       LEU 102 -22.161 -10.895 -32.585
  790    HG   LEU 102           HG       LEU 102 -20.431  -9.213 -33.445
  791   1HD1  LEU 102          1HD1      LEU 102 -21.801  -9.816 -36.101
  792   2HD1  LEU 102          2HD1      LEU 102 -20.832  -8.365 -35.762
  793   3HD1  LEU 102          3HD1      LEU 102 -20.062  -9.944 -35.739
  794   1HD2  LEU 102          1HD2      LEU 102 -23.332  -8.840 -34.283
  795   2HD2  LEU 102          2HD2      LEU 102 -22.674  -8.590 -32.648
  796   3HD2  LEU 102          3HD2      LEU 102 -22.142  -7.551 -33.973
  797    H    GLU 103           H        GLU 103 -21.824 -12.894 -35.543
  798    HA   GLU 103           HA       GLU 103 -19.561 -12.656 -37.423
  799   1HB   GLU 103          2HB       GLU 103 -19.485 -14.984 -36.559
  800   2HB   GLU 103          3HB       GLU 103 -21.166 -15.219 -37.031
  801   1HG   GLU 103          2HG       GLU 103 -19.659 -16.269 -38.627
  802   2HG   GLU 103          3HG       GLU 103 -20.567 -14.983 -39.402
  803    H    ARG 104           H        ARG 104 -20.172 -12.397 -39.554
  804    HA   ARG 104           HA       ARG 104 -22.592 -10.904 -40.058
  805   1HB   ARG 104          2HB       ARG 104 -20.545 -12.117 -41.970
  806   2HB   ARG 104          3HB       ARG 104 -21.835 -11.004 -42.446
  807   1HG   ARG 104          2HG       ARG 104 -20.911  -9.255 -40.961
  808   2HG   ARG 104          3HG       ARG 104 -19.606 -10.351 -40.464
  809   1HD   ARG 104          2HD       ARG 104 -18.828 -10.503 -42.804
  810   2HD   ARG 104          3HD       ARG 104 -20.124  -9.399 -43.311
  811    HE   ARG 104           HE       ARG 104 -18.682  -8.083 -41.267
  812   1HH1  ARG 104          1HH2      ARG 104 -17.981  -9.164 -44.520
  813   2HH1  ARG 104          2HH2      ARG 104 -16.754  -7.944 -44.754
  814   1HH2  ARG 104          1HH1      ARG 104 -17.125  -6.560 -41.625
  815   2HH2  ARG 104          2HH1      ARG 104 -16.292  -6.513 -43.155
  816    H    GLY 105           H        GLY 105 -21.642 -14.158 -41.099
  817   1HA   GLY 105          2HA       GLY 105 -24.222 -15.339 -40.894
  818   2HA   GLY 105          3HA       GLY 105 -23.957 -14.869 -42.580
  819    H    ALA 106           H        ALA 106 -24.350 -17.436 -42.209
  820    HA   ALA 106           HA       ALA 106 -21.760 -18.735 -42.794
  821   1HB   ALA 106          1HB       ALA 106 -22.102 -19.055 -40.362
  822   2HB   ALA 106          2HB       ALA 106 -23.714 -19.741 -40.672
  823   3HB   ALA 106          3HB       ALA 106 -22.258 -20.591 -41.234
  824    H    ALA 107           H        ALA 107 -21.966 -20.737 -43.900
  825    HA   ALA 107           HA       ALA 107 -24.574 -21.575 -45.002
  826   1HB   ALA 107          1HB       ALA 107 -22.245 -20.650 -46.749
  827   2HB   ALA 107          2HB       ALA 107 -23.735 -21.426 -47.327
  828   3HB   ALA 107          3HB       ALA 107 -23.812 -19.827 -46.565
  Start of MODEL   12
    1   1H    ARG   1          H1        ARG   1   5.025   2.012   2.364
    2   2H    ARG   1          H2        ARG   1   3.511   2.558   2.648
    3   3H    ARG   1          H3        ARG   1   3.847   0.959   2.792
    4    HA   ARG   1           HA       ARG   1   4.313   0.779   0.445
    5   1HB   ARG   1          2HB       ARG   1   1.895   0.610   1.515
    6   2HB   ARG   1          3HB       ARG   1   1.599   2.115   0.643
    7   1HG   ARG   1          2HG       ARG   1   2.328   0.884  -1.489
    8   2HG   ARG   1          3HG       ARG   1   2.466  -0.580  -0.511
    9   1HD   ARG   1          2HD       ARG   1   0.340  -0.693  -1.569
   10   2HD   ARG   1          3HD       ARG   1   0.020  -0.281   0.111
   11    HE   ARG   1           HE       ARG   1  -0.771   1.826  -0.546
   12   1HH1  ARG   1          1HH2      ARG   1   0.661   0.346  -3.438
   13   2HH1  ARG   1          2HH2      ARG   1  -0.011   1.662  -4.414
   14   1HH2  ARG   1          1HH1      ARG   1  -1.518   3.380  -2.001
   15   2HH2  ARG   1          2HH1      ARG   1  -1.089   3.146  -3.702
   16    H    VAL   2           H        VAL   2   4.242   1.781  -1.676
   17    HA   VAL   2           HA       VAL   2   5.464   4.299  -1.950
   18    HB   VAL   2           HB       VAL   2   5.581   2.635  -3.671
   19   1HG1  VAL   2          1HG1      VAL   2   3.344   1.622  -3.616
   20   2HG1  VAL   2          2HG1      VAL   2   2.630   3.115  -4.255
   21   3HG1  VAL   2          3HG1      VAL   2   3.748   2.163  -5.245
   22   1HG2  VAL   2          1HG2      VAL   2   5.318   4.001  -5.638
   23   2HG2  VAL   2          2HG2      VAL   2   4.156   5.064  -4.828
   24   3HG2  VAL   2          3HG2      VAL   2   5.859   5.033  -4.306
   25    H    ALA   3           H        ALA   3   4.849   6.355  -2.193
   26    HA   ALA   3           HA       ALA   3   2.059   7.176  -1.768
   27   1HB   ALA   3          1HB       ALA   3   3.008   9.440  -1.839
   28   2HB   ALA   3          2HB       ALA   3   3.902   8.410  -0.707
   29   3HB   ALA   3          3HB       ALA   3   4.594   8.785  -2.302
   30    H    GLU   4           H        GLU   4   0.763   6.816  -3.449
   31    HA   GLU   4           HA       GLU   4   1.539   7.503  -6.254
   32   1HB   GLU   4          2HB       GLU   4  -0.849   6.005  -5.112
   33   2HB   GLU   4          3HB       GLU   4  -0.652   6.425  -6.821
   34   1HG   GLU   4          2HG       GLU   4   1.426   5.110  -6.945
   35   2HG   GLU   4          3HG       GLU   4   1.305   4.719  -5.229
   36    H    ASN   5           H        ASN   5  -0.965   8.073  -3.941
   37    HA   ASN   5           HA       ASN   5  -1.925  10.576  -5.232
   38   1HB   ASN   5          2HB       ASN   5  -3.567   9.084  -4.148
   39   2HB   ASN   5          3HB       ASN   5  -2.734   9.267  -2.602
   40   1HD2  ASN   5          2HD2      ASN   5  -4.096  11.428  -5.211
   41   2HD2  ASN   5          1HD2      ASN   5  -4.808  12.525  -4.035
   42    H    ARG   6           H        ARG   6   0.124  11.492  -5.254
   43    HA   ARG   6           HA       ARG   6   0.930  12.951  -2.777
   44   1HB   ARG   6          2HB       ARG   6   3.289  12.993  -3.812
   45   2HB   ARG   6          3HB       ARG   6   2.706  11.579  -2.967
   46   1HG   ARG   6          2HG       ARG   6   3.955  10.957  -4.923
   47   2HG   ARG   6          3HG       ARG   6   2.290  10.409  -5.005
   48   1HD   ARG   6          2HD       ARG   6   3.129  11.192  -7.199
   49   2HD   ARG   6          3HD       ARG   6   1.731  12.098  -6.657
   50    HE   ARG   6           HE       ARG   6   3.004  14.043  -6.564
   51   1HH1  ARG   6          1HH1      ARG   6   5.330  11.434  -6.860
   52   2HH1  ARG   6          2HH1      ARG   6   6.631  12.557  -7.154
   53   1HH2  ARG   6          1HH2      ARG   6   4.601  15.338  -6.912
   54   2HH2  ARG   6          2HH2      ARG   6   6.239  14.752  -7.158
   55    HA   PRO   7           HA       PRO   7   0.389  16.888  -4.576
   56   1HB   PRO   7          2HB       PRO   7   3.370  17.334  -4.221
   57   2HB   PRO   7          3HB       PRO   7   2.020  18.472  -3.899
   58   1HG   PRO   7          2HG       PRO   7   3.070  17.101  -1.848
   59   2HG   PRO   7          3HG       PRO   7   1.284  17.193  -2.013
   60   1HD   PRO   7          2HD       PRO   7   3.137  14.937  -2.783
   61   2HD   PRO   7          3HD       PRO   7   1.555  14.863  -1.951
   62    H    GLY   8           H        GLY   8  -0.046  17.236  -6.585
   63   1HA   GLY   8          2HA       GLY   8   0.695  17.824  -8.896
   64   2HA   GLY   8          3HA       GLY   8   1.732  16.404  -8.832
   65    H    ALA   9           H        ALA   9  -0.606  14.950  -7.292
   66    HA   ALA   9           HA       ALA   9  -1.422  13.471  -9.545
   67   1HB   ALA   9          1HB       ALA   9  -2.926  12.322  -7.950
   68   2HB   ALA   9          2HB       ALA   9  -1.302  12.560  -7.280
   69   3HB   ALA   9          3HB       ALA   9  -2.641  13.606  -6.756
   70    H    PHE  10           H        PHE  10  -3.073  13.554 -10.981
   71    HA   PHE  10           HA       PHE  10  -4.820  15.809 -11.232
   72   1HB   PHE  10          2HB       PHE  10  -5.141  12.988 -12.327
   73   2HB   PHE  10          3HB       PHE  10  -6.057  14.373 -12.845
   74    HD1  PHE  10           HD1      PHE  10  -4.200  12.322 -14.373
   75    HD2  PHE  10           HD2      PHE  10  -3.797  16.440 -13.134
   76    HE1  PHE  10           HE1      PHE  10  -2.760  12.780 -16.339
   77    HE2  PHE  10           HE2      PHE  10  -2.362  16.880 -15.094
   78    HZ   PHE  10           HZ       PHE  10  -1.867  15.057 -16.719
   79    H    ILE  11           H        ILE  11  -7.001  16.085 -10.912
   80    HA   ILE  11           HA       ILE  11  -8.553  14.034  -9.385
   81    HB   ILE  11           HB       ILE  11  -8.868  17.047  -9.199
   82   1HG1  ILE  11          2HG1      ILE  11  -7.911  15.090  -7.058
   83   2HG1  ILE  11          3HG1      ILE  11  -6.837  16.122  -7.996
   84   1HG2  ILE  11          1HG2      ILE  11 -11.011  15.786  -9.041
   85   2HG2  ILE  11          2HG2      ILE  11 -10.316  14.778  -7.753
   86   3HG2  ILE  11          3HG2      ILE  11 -10.587  16.516  -7.502
   87   1HD1  ILE  11          1HD1      ILE  11  -7.975  18.147  -7.108
   88   2HD1  ILE  11          2HD1      ILE  11  -8.961  17.100  -6.057
   89   3HD1  ILE  11          3HD1      ILE  11  -7.208  17.153  -5.853
   90    H    LYS  12           H        LYS  12  -9.438  13.047 -11.018
   91    HA   LYS  12           HA       LYS  12 -10.480  14.482 -13.419
   92   1HB   LYS  12          2HB       LYS  12  -9.939  11.533 -12.898
   93   2HB   LYS  12          3HB       LYS  12 -10.619  12.196 -14.392
   94   1HG   LYS  12          2HG       LYS  12  -8.576  13.572 -14.721
   95   2HG   LYS  12          3HG       LYS  12  -7.897  12.921 -13.227
   96   1HD   LYS  12          2HD       LYS  12  -6.897  11.784 -15.080
   97   2HD   LYS  12          3HD       LYS  12  -7.945  10.632 -14.235
   98   1HE   LYS  12          2HE       LYS  12  -9.697  10.932 -15.942
   99   2HE   LYS  12          3HE       LYS  12  -8.755  12.208 -16.724
  100   1HZ   LYS  12          1HZ       LYS  12  -7.894   9.370 -16.508
  101   2HZ   LYS  12          2HZ       LYS  12  -8.492  10.075 -17.856
  102   3HZ   LYS  12          3HZ       LYS  12  -7.058  10.561 -17.258
  103    H    GLN  13           H        GLN  13 -12.265  15.412 -12.444
  104    HA   GLN  13           HA       GLN  13 -14.545  13.770 -11.552
  105   1HB   GLN  13          2HB       GLN  13 -14.434  16.738 -12.259
  106   2HB   GLN  13          3HB       GLN  13 -15.786  15.875 -11.524
  107   1HG   GLN  13          2HG       GLN  13 -14.036  15.195  -9.675
  108   2HG   GLN  13          3HG       GLN  13 -13.106  16.563 -10.294
  109   1HE2  GLN  13          2HE2      GLN  13 -14.160  18.788 -10.132
  110   2HE2  GLN  13          1HE2      GLN  13 -15.423  18.972  -8.912
  111    H    GLY  14           H        GLY  14 -13.296  15.027 -14.556
  112   1HA   GLY  14          2HA       GLY  14 -13.866  14.481 -16.741
  113   2HA   GLY  14          3HA       GLY  14 -15.225  13.538 -16.132
  114    H    ARG  15           H        ARG  15 -15.187  16.681 -14.923
  115    HA   ARG  15           HA       ARG  15 -17.605  17.591 -16.238
  116   1HB   ARG  15          2HB       ARG  15 -17.010  18.108 -13.893
  117   2HB   ARG  15          3HB       ARG  15 -15.570  18.963 -14.428
  118   1HG   ARG  15          2HG       ARG  15 -16.858  20.735 -15.437
  119   2HG   ARG  15          3HG       ARG  15 -18.363  19.816 -15.281
  120   1HD   ARG  15          2HD       ARG  15 -18.222  21.606 -13.616
  121   2HD   ARG  15          3HD       ARG  15 -18.305  20.008 -12.859
  122    HE   ARG  15           HE       ARG  15 -15.546  20.639 -13.065
  123   1HH1  ARG  15          2HH2      ARG  15 -18.246  22.124 -11.389
  124   2HH1  ARG  15          1HH2      ARG  15 -17.218  22.664 -10.086
  125   1HH2  ARG  15          2HH1      ARG  15 -14.394  21.148 -11.369
  126   2HH2  ARG  15          1HH1      ARG  15 -15.047  22.170 -10.095
  127    H    LYS  16           H        LYS  16 -17.822  18.745 -18.046
  128    HA   LYS  16           HA       LYS  16 -15.576  19.653 -19.672
  129   1HB   LYS  16          2HB       LYS  16 -17.808  18.883 -20.590
  130   2HB   LYS  16          3HB       LYS  16 -18.524  20.372 -19.961
  131   1HG   LYS  16          2HG       LYS  16 -16.810  21.655 -21.311
  132   2HG   LYS  16          3HG       LYS  16 -16.277  20.135 -22.023
  133   1HD   LYS  16          2HD       LYS  16 -18.502  19.794 -23.006
  134   2HD   LYS  16          3HD       LYS  16 -19.125  21.241 -22.202
  135   1HE   LYS  16          2HE       LYS  16 -16.840  21.223 -24.227
  136   2HE   LYS  16          3HE       LYS  16 -18.526  21.565 -24.629
  137   1HZ   LYS  16          1HZ       LYS  16 -17.293  23.619 -24.276
  138   2HZ   LYS  16          2HZ       LYS  16 -18.440  23.480 -23.127
  139   3HZ   LYS  16          3HZ       LYS  16 -16.873  23.190 -22.756
  140    H    LEU  17           H        LEU  17 -14.442  21.388 -19.329
  141    HA   LEU  17           HA       LEU  17 -15.377  23.704 -17.738
  142   1HB   LEU  17          2HB       LEU  17 -12.686  23.029 -19.000
  143   2HB   LEU  17          3HB       LEU  17 -12.977  24.386 -17.922
  144    HG   LEU  17           HG       LEU  17 -13.322  21.465 -17.091
  145   1HD1  LEU  17          1HD1      LEU  17 -10.991  21.994 -17.623
  146   2HD1  LEU  17          2HD1      LEU  17 -11.041  23.392 -16.527
  147   3HD1  LEU  17          3HD1      LEU  17 -11.225  21.739 -15.888
  148   1HD2  LEU  17          1HD2      LEU  17 -14.672  22.969 -15.707
  149   2HD2  LEU  17          2HD2      LEU  17 -13.262  22.419 -14.799
  150   3HD2  LEU  17          3HD2      LEU  17 -13.279  24.058 -15.483
  151    H    ASP  18           H        ASP  18 -14.370  25.858 -18.650
  152    HA   ASP  18           HA       ASP  18 -14.920  26.219 -21.558
  153   1HB   ASP  18          2HB       ASP  18 -16.950  26.883 -20.392
  154   2HB   ASP  18          3HB       ASP  18 -16.030  27.923 -19.303
  155    H    ILE  19           H        ILE  19 -12.852  26.390 -22.111
  156    HA   ILE  19           HA       ILE  19 -11.155  28.636 -21.116
  157    HB   ILE  19           HB       ILE  19 -10.393  25.715 -21.497
  158   1HG1  ILE  19          2HG1      ILE  19  -9.832  27.452 -19.062
  159   2HG1  ILE  19          3HG1      ILE  19 -11.348  26.577 -19.229
  160   1HG2  ILE  19          1HG2      ILE  19  -8.528  28.104 -21.096
  161   2HG2  ILE  19          2HG2      ILE  19  -8.030  26.406 -21.010
  162   3HG2  ILE  19          3HG2      ILE  19  -8.610  27.054 -22.532
  163   1HD1  ILE  19          1HD1      ILE  19  -9.803  25.295 -17.875
  164   2HD1  ILE  19          2HD1      ILE  19 -10.202  24.436 -19.374
  165   3HD1  ILE  19          3HD1      ILE  19  -8.624  25.239 -19.194
  166    H    ASP  20           H        ASP  20 -10.312  29.803 -22.772
  167    HA   ASP  20           HA       ASP  20 -10.687  28.859 -25.570
  168   1HB   ASP  20          2HB       ASP  20 -11.438  31.119 -25.028
  169   2HB   ASP  20          3HB       ASP  20  -9.810  31.558 -24.501
  170    H    PHE  21           H        PHE  21  -9.220  27.217 -25.533
  171    HA   PHE  21           HA       PHE  21  -6.365  27.382 -25.122
  172   1HB   PHE  21          2HB       PHE  21  -7.947  25.536 -26.954
  173   2HB   PHE  21          3HB       PHE  21  -6.335  25.266 -26.332
  174    HD1  PHE  21           HD1      PHE  21  -9.933  25.087 -25.614
  175    HD2  PHE  21           HD2      PHE  21  -5.994  24.616 -23.960
  176    HE1  PHE  21           HE1      PHE  21 -10.894  23.857 -23.697
  177    HE2  PHE  21           HE2      PHE  21  -6.960  23.398 -22.009
  178    HZ   PHE  21           HZ       PHE  21  -9.421  23.000 -21.905
  179    H    GLY  22           H        GLY  22  -8.516  27.786 -27.831
  180   1HA   GLY  22          2HA       GLY  22  -7.733  29.494 -29.656
  181   2HA   GLY  22          3HA       GLY  22  -6.364  28.372 -29.823
  182    H    ALA  23           H        ALA  23  -8.423  28.959 -31.842
  183    HA   ALA  23           HA       ALA  23 -10.664  27.519 -32.025
  184   1HB   ALA  23          1HB       ALA  23  -8.704  27.942 -34.313
  185   2HB   ALA  23          2HB       ALA  23 -10.447  27.624 -34.472
  186   3HB   ALA  23          3HB       ALA  23  -9.889  29.119 -33.701
  187    H    GLU  24           H        GLU  24  -7.594  25.997 -33.048
  188    HA   GLU  24           HA       GLU  24  -8.721  23.420 -33.756
  189   1HB   GLU  24          2HB       GLU  24  -6.589  24.361 -34.600
  190   2HB   GLU  24          3HB       GLU  24  -5.875  24.189 -32.992
  191   1HG   GLU  24          2HG       GLU  24  -6.087  21.771 -33.105
  192   2HG   GLU  24          3HG       GLU  24  -7.044  21.869 -34.587
  193    H    GLY  25           H        GLY  25  -7.072  24.554 -30.801
  194   1HA   GLY  25          2HA       GLY  25  -7.246  22.067 -29.343
  195   2HA   GLY  25          3HA       GLY  25  -6.885  23.653 -28.667
  196    H    ASN  26           H        ASN  26  -9.327  24.929 -29.462
  197    HA   ASN  26           HA       ASN  26 -11.162  24.358 -27.362
  198   1HB   ASN  26          2HB       ASN  26 -11.559  25.794 -30.033
  199   2HB   ASN  26          3HB       ASN  26 -12.745  25.771 -28.729
  200   1HD2  ASN  26          2HD2      ASN  26 -11.977  28.229 -29.606
  201   2HD2  ASN  26          1HD2      ASN  26 -10.928  28.955 -28.382
  202    H    ARG  27           H        ARG  27 -11.254  23.502 -30.796
  203    HA   ARG  27           HA       ARG  27 -13.678  21.903 -30.750
  204   1HB   ARG  27          2HB       ARG  27 -11.319  22.074 -32.667
  205   2HB   ARG  27          3HB       ARG  27 -12.661  20.950 -32.915
  206   1HG   ARG  27          2HG       ARG  27 -14.282  22.753 -32.977
  207   2HG   ARG  27          3HG       ARG  27 -13.054  23.962 -32.594
  208   1HD   ARG  27          2HD       ARG  27 -12.961  22.194 -35.072
  209   2HD   ARG  27          3HD       ARG  27 -13.734  23.788 -35.033
  210    HE   ARG  27           HE       ARG  27 -11.197  24.258 -34.027
  211   1HH1  ARG  27          1HH2      ARG  27 -12.389  23.026 -37.084
  212   2HH1  ARG  27          2HH2      ARG  27 -11.034  23.664 -37.980
  213   1HH2  ARG  27          1HH1      ARG  27  -9.500  25.066 -35.243
  214   2HH2  ARG  27          2HH1      ARG  27  -9.455  24.773 -36.958
  215    H    TYR  28           H        TYR  28 -10.240  21.008 -30.412
  216    HA   TYR  28           HA       TYR  28 -10.647  18.201 -30.155
  217   1HB   TYR  28          2HB       TYR  28  -8.473  19.263 -30.567
  218   2HB   TYR  28          3HB       TYR  28  -8.463  19.933 -28.945
  219    HD1  TYR  28           HD1      TYR  28  -8.456  16.730 -30.880
  220    HD2  TYR  28           HD2      TYR  28  -7.856  18.604 -27.043
  221    HE1  TYR  28           HE1      TYR  28  -7.600  14.571 -29.952
  222    HE2  TYR  28           HE2      TYR  28  -7.000  16.450 -26.131
  223    HH   TYR  28           HH       TYR  28  -6.385  14.340 -26.607
  224    H    TYR  29           H        TYR  29 -10.328  20.662 -27.534
  225    HA   TYR  29           HA       TYR  29 -10.843  18.924 -25.360
  226   1HB   TYR  29          2HB       TYR  29  -9.948  21.220 -25.133
  227   2HB   TYR  29          3HB       TYR  29 -11.512  21.881 -25.589
  228    HD1  TYR  29           HD1      TYR  29  -9.755  19.764 -23.040
  229    HD2  TYR  29           HD2      TYR  29 -13.278  22.084 -23.958
  230    HE1  TYR  29           HE1      TYR  29 -10.563  19.445 -20.721
  231    HE2  TYR  29           HE2      TYR  29 -14.069  21.789 -21.611
  232    HH   TYR  29           HH       TYR  29 -12.257  19.803 -19.240
  233    H    ALA  30           H        ALA  30 -13.230  20.987 -27.116
  234    HA   ALA  30           HA       ALA  30 -15.553  20.242 -25.785
  235   1HB   ALA  30          1HB       ALA  30 -15.197  20.801 -28.758
  236   2HB   ALA  30          2HB       ALA  30 -16.724  20.889 -27.856
  237   3HB   ALA  30          3HB       ALA  30 -15.409  22.017 -27.478
  238    H    ALA  31           H        ALA  31 -13.902  18.350 -28.299
  239    HA   ALA  31           HA       ALA  31 -15.947  16.240 -28.314
  240   1HB   ALA  31          1HB       ALA  31 -13.264  16.532 -29.721
  241   2HB   ALA  31          2HB       ALA  31 -14.458  15.250 -30.023
  242   3HB   ALA  31          3HB       ALA  31 -14.859  16.940 -30.383
  243    H    ASN  32           H        ASN  32 -12.947  16.761 -26.554
  244    HA   ASN  32           HA       ASN  32 -12.894  13.879 -25.708
  245   1HB   ASN  32          2HB       ASN  32 -10.542  15.670 -26.407
  246   2HB   ASN  32          3HB       ASN  32 -10.443  14.018 -25.817
  247   1HD2  ASN  32          2HD2      ASN  32 -11.080  15.995 -28.587
  248   2HD2  ASN  32          1HD2      ASN  32 -11.155  14.649 -29.739
  249    H    TYR  33           H        TYR  33 -13.596  16.687 -24.270
  250    HA   TYR  33           HA       TYR  33 -11.942  17.186 -22.191
  251   1HB   TYR  33          2HB       TYR  33 -13.810  18.078 -20.944
  252   2HB   TYR  33          3HB       TYR  33 -13.841  18.546 -22.628
  253    HD1  TYR  33           HD1      TYR  33 -15.700  17.994 -24.042
  254    HD2  TYR  33           HD2      TYR  33 -15.452  16.392 -20.044
  255    HE1  TYR  33           HE1      TYR  33 -18.087  17.300 -24.167
  256    HE2  TYR  33           HE2      TYR  33 -17.817  15.664 -20.183
  257    HH   TYR  33           HH       TYR  33 -19.715  15.587 -21.466
  258    H    TRP  34           H        TRP  34 -14.055  14.394 -22.244
  259    HA   TRP  34           HA       TRP  34 -14.042  13.523 -19.583
  260   1HB   TRP  34          2HB       TRP  34 -14.450  11.307 -20.492
  261   2HB   TRP  34          3HB       TRP  34 -15.389  12.524 -21.335
  262    HD1  TRP  34           HD1      TRP  34 -14.789  13.005 -23.896
  263    HE1  TRP  34           HE1      TRP  34 -13.490  11.670 -25.678
  264    HE3  TRP  34           HE3      TRP  34 -12.518   9.558 -20.853
  265    HZ2  TRP  34           HZ2      TRP  34 -11.656   9.469 -25.762
  266    HZ3  TRP  34           HZ3      TRP  34 -11.042   7.807 -21.829
  267    HH2  TRP  34           HH2      TRP  34 -10.597   7.757 -24.272
  268    H    GLN  35           H        GLN  35 -11.360  13.266 -21.903
  269    HA   GLN  35           HA       GLN  35  -9.738  11.437 -20.354
  270   1HB   GLN  35          2HB       GLN  35  -8.850  13.507 -22.415
  271   2HB   GLN  35          3HB       GLN  35  -7.899  12.155 -21.799
  272   1HG   GLN  35          2HG       GLN  35  -9.609  10.574 -22.717
  273   2HG   GLN  35          3HG       GLN  35 -10.424  11.947 -23.481
  274   1HE2  GLN  35          2HE2      GLN  35  -8.706  13.429 -24.762
  275   2HE2  GLN  35          1HE2      GLN  35  -7.668  12.486 -25.828
  276    H    PHE  36           H        PHE  36 -10.120  14.920 -20.272
  277    HA   PHE  36           HA       PHE  36  -7.554  15.560 -19.108
  278   1HB   PHE  36          2HB       PHE  36 -10.102  17.163 -19.571
  279   2HB   PHE  36          3HB       PHE  36  -8.619  17.858 -18.989
  280    HD1  PHE  36           HD1      PHE  36  -6.925  18.590 -20.483
  281    HD2  PHE  36           HD2      PHE  36 -10.063  16.017 -21.929
  282    HE1  PHE  36           HE1      PHE  36  -6.282  19.084 -22.817
  283    HE2  PHE  36           HE2      PHE  36  -9.401  16.506 -24.261
  284    HZ   PHE  36           HZ       PHE  36  -7.522  18.085 -24.703
  285    HA   PRO  37           HA       PRO  37  -8.778  15.727 -14.744
  286   1HB   PRO  37          2HB       PRO  37  -7.012  17.484 -13.715
  287   2HB   PRO  37          3HB       PRO  37  -6.466  15.935 -14.408
  288   1HG   PRO  37          2HG       PRO  37  -6.528  18.621 -15.817
  289   2HG   PRO  37          3HG       PRO  37  -5.139  17.501 -15.646
  290   1HD   PRO  37          2HD       PRO  37  -6.745  17.479 -17.844
  291   2HD   PRO  37          3HD       PRO  37  -6.060  15.966 -17.180
  292    H    ASP  38           H        ASP  38  -9.792  17.178 -13.242
  293    HA   ASP  38           HA       ASP  38 -10.894  19.736 -14.382
  294   1HB   ASP  38          2HB       ASP  38 -12.684  18.183 -14.145
  295   2HB   ASP  38          3HB       ASP  38 -12.154  17.689 -12.546
  296    H    GLY  39           H        GLY  39  -9.509  18.128 -11.558
  297   1HA   GLY  39          2HA       GLY  39  -8.489  20.757 -10.575
  298   2HA   GLY  39          3HA       GLY  39  -9.156  19.570  -9.442
  299    H    ILE  40           H        ILE  40  -6.673  20.299  -8.956
  300    HA   ILE  40           HA       ILE  40  -5.076  17.853  -9.498
  301    HB   ILE  40           HB       ILE  40  -3.992  20.683  -9.822
  302   1HG1  ILE  40          2HG1      ILE  40  -4.008  18.347 -11.793
  303   2HG1  ILE  40          3HG1      ILE  40  -5.158  19.675 -11.833
  304   1HG2  ILE  40          1HG2      ILE  40  -2.372  19.292  -8.557
  305   2HG2  ILE  40          2HG2      ILE  40  -2.514  18.010  -9.776
  306   3HG2  ILE  40          3HG2      ILE  40  -1.778  19.573 -10.180
  307   1HD1  ILE  40          1HD1      ILE  40  -3.273  21.292 -12.146
  308   2HD1  ILE  40          2HD1      ILE  40  -2.193  19.892 -12.350
  309   3HD1  ILE  40          3HD1      ILE  40  -3.533  20.143 -13.473
  310    H    TYR  41           H        TYR  41  -4.397  17.035  -7.664
  311    HA   TYR  41           HA       TYR  41  -4.688  18.361  -5.055
  312   1HB   TYR  41          2HB       TYR  41  -5.164  15.954  -5.358
  313   2HB   TYR  41          3HB       TYR  41  -3.555  15.687  -5.984
  314    HD1  TYR  41           HD1      TYR  41  -1.771  15.149  -4.556
  315    HD2  TYR  41           HD2      TYR  41  -5.383  16.837  -2.918
  316    HE1  TYR  41           HE1      TYR  41  -0.924  14.717  -2.243
  317    HE2  TYR  41           HE2      TYR  41  -4.532  16.414  -0.608
  318    HH   TYR  41           HH       TYR  41  -2.833  15.566   0.665
  319    H    TYR  42           H        TYR  42  -3.143  19.920  -4.551
  320    HA   TYR  42           HA       TYR  42  -0.300  19.202  -4.701
  321   1HB   TYR  42          2HB       TYR  42  -0.722  20.160  -6.938
  322   2HB   TYR  42          3HB       TYR  42  -1.403  21.606  -6.199
  323    HD1  TYR  42           HD1      TYR  42   1.739  19.535  -5.933
  324    HD2  TYR  42           HD2      TYR  42   0.017  23.484  -6.205
  325    HE1  TYR  42           HE1      TYR  42   4.000  20.538  -5.680
  326    HE2  TYR  42           HE2      TYR  42   2.310  24.469  -6.082
  327    HH   TYR  42           HH       TYR  42   5.205  22.460  -5.527
  328    H    GLU  43           H        GLU  43   1.065  20.471  -3.415
  329    HA   GLU  43           HA       GLU  43  -0.178  22.350  -1.454
  330   1HB   GLU  43          2HB       GLU  43   1.476  19.900  -0.743
  331   2HB   GLU  43          3HB       GLU  43   0.962  21.172   0.382
  332   1HG   GLU  43          2HG       GLU  43  -1.425  20.637  -0.165
  333   2HG   GLU  43          3HG       GLU  43  -0.860  19.297  -1.163
  334    H    GLY  44           H        GLY  44   0.940  23.683  -3.043
  335   1HA   GLY  44          2HA       GLY  44   3.853  23.882  -3.077
  336   2HA   GLY  44          3HA       GLY  44   2.722  25.039  -3.774
  337    H    CYS  45           H        CYS  45   1.352  26.100  -1.832
  338    HA   CYS  45           HA       CYS  45   3.096  27.968  -0.603
  339   1HB   CYS  45          2HB       CYS  45   0.155  27.325  -0.443
  340   2HB   CYS  45          3HB       CYS  45   0.839  28.551   0.607
  341    H    SER  46           H        SER  46   3.766  28.353   1.383
  342    HA   SER  46           HA       SER  46   3.135  26.620   3.697
  343   1HB   SER  46          2HB       SER  46   5.054  25.541   2.540
  344   2HB   SER  46          3HB       SER  46   5.986  27.040   2.708
  345    HG   SER  46           HG       SER  46   6.399  25.506   4.397
  346    H    GLU  47           H        GLU  47   5.247  29.311   2.568
  347    HA   GLU  47           HA       GLU  47   4.329  31.052   4.780
  348   1HB   GLU  47          2HB       GLU  47   6.650  31.689   5.286
  349   2HB   GLU  47          3HB       GLU  47   6.354  29.986   5.629
  350   1HG   GLU  47          2HG       GLU  47   7.502  29.324   3.546
  351   2HG   GLU  47          3HG       GLU  47   7.701  31.015   3.090
  352    H    ALA  48           H        ALA  48   4.939  33.327   4.453
  353    HA   ALA  48           HA       ALA  48   3.993  34.357   2.115
  354   1HB   ALA  48          1HB       ALA  48   4.077  35.513   4.275
  355   2HB   ALA  48          2HB       ALA  48   5.842  35.699   4.119
  356   3HB   ALA  48          3HB       ALA  48   4.750  36.524   2.985
  357    H    ASN  49           H        ASN  49   7.316  33.428   2.545
  358    HA   ASN  49           HA       ASN  49   8.484  34.938   0.375
  359   1HB   ASN  49          2HB       ASN  49   9.290  32.358   1.778
  360   2HB   ASN  49          3HB       ASN  49  10.225  33.076   0.468
  361   1HD2  ASN  49          2HD2      ASN  49  10.117  32.971   3.817
  362   2HD2  ASN  49          1HD2      ASN  49  10.888  34.535   4.085
  363    H    VAL  50           H        VAL  50   6.549  31.984   0.396
  364    HA   VAL  50           HA       VAL  50   7.079  31.275  -2.408
  365    HB   VAL  50           HB       VAL  50   4.831  30.371  -0.557
  366   1HG1  VAL  50          1HG1      VAL  50   4.230  30.002  -2.904
  367   2HG1  VAL  50          2HG1      VAL  50   5.830  29.299  -3.237
  368   3HG1  VAL  50          3HG1      VAL  50   4.682  28.459  -2.181
  369   1HG2  VAL  50          1HG2      VAL  50   7.481  29.028  -1.244
  370   2HG2  VAL  50          2HG2      VAL  50   7.009  29.669   0.346
  371   3HG2  VAL  50          3HG2      VAL  50   6.150  28.283  -0.331
  372    H    THR  51           H        THR  51   6.200  32.291  -4.115
  373    HA   THR  51           HA       THR  51   3.811  34.064  -3.783
  374    HB   THR  51           HB       THR  51   4.716  35.282  -5.721
  375    HG1  THR  51           1HG      THR  51   6.898  34.718  -6.323
  376   1HG2  THR  51          1HG2      THR  51   6.633  36.328  -4.689
  377   2HG2  THR  51          2HG2      THR  51   5.440  35.960  -3.430
  378   3HG2  THR  51          3HG2      THR  51   6.884  34.940  -3.614
  379    H    LYS  52           H        LYS  52   2.696  34.451  -6.026
  380    HA   LYS  52           HA       LYS  52   1.580  32.002  -6.992
  381   1HB   LYS  52          2HB       LYS  52   0.415  34.204  -7.156
  382   2HB   LYS  52          3HB       LYS  52   1.572  34.710  -8.403
  383   1HG   LYS  52          2HG       LYS  52   0.878  32.763  -9.804
  384   2HG   LYS  52          3HG       LYS  52  -0.282  32.281  -8.555
  385   1HD   LYS  52          2HD       LYS  52  -1.552  34.378  -8.955
  386   2HD   LYS  52          3HD       LYS  52  -0.338  34.872 -10.166
  387   1HE   LYS  52          2HE       LYS  52  -0.778  32.694 -11.384
  388   2HE   LYS  52          3HE       LYS  52  -2.091  32.369 -10.253
  389   1HZ   LYS  52          1HZ       LYS  52  -3.168  34.426 -11.084
  390   2HZ   LYS  52          2HZ       LYS  52  -1.949  34.654 -12.150
  391   3HZ   LYS  52          3HZ       LYS  52  -2.909  33.337 -12.286
  392    H    GLU  53           H        GLU  53   4.001  34.100  -8.607
  393    HA   GLU  53           HA       GLU  53   4.377  32.407 -10.851
  394   1HB   GLU  53          2HB       GLU  53   6.508  33.522 -11.221
  395   2HB   GLU  53          3HB       GLU  53   5.207  34.657 -10.872
  396   1HG   GLU  53          2HG       GLU  53   6.039  34.933  -8.562
  397   2HG   GLU  53          3HG       GLU  53   7.335  33.771  -8.875
  398    H    MET  54           H        MET  54   5.907  32.136  -7.647
  399    HA   MET  54           HA       MET  54   7.556  29.844  -8.287
  400   1HB   MET  54          2HB       MET  54   6.360  30.809  -5.663
  401   2HB   MET  54          3HB       MET  54   7.396  29.387  -5.814
  402   1HG   MET  54          2HG       MET  54   9.213  30.753  -6.727
  403   2HG   MET  54          3HG       MET  54   8.189  32.186  -6.688
  404   1HE   MET  54          1HE       MET  54  10.176  29.533  -4.582
  405   2HE   MET  54          2HE       MET  54   9.901  30.076  -2.913
  406   3HE   MET  54          3HE       MET  54   8.573  29.343  -3.832
  407    H    LEU  55           H        LEU  55   4.274  30.046  -6.780
  408    HA   LEU  55           HA       LEU  55   3.842  27.284  -6.548
  409   1HB   LEU  55          2HB       LEU  55   2.578  28.980  -5.367
  410   2HB   LEU  55          3HB       LEU  55   1.809  29.534  -6.852
  411    HG   LEU  55           HG       LEU  55   1.552  26.603  -6.197
  412   1HD1  LEU  55          1HD1      LEU  55   1.192  27.599  -4.013
  413   2HD1  LEU  55          2HD1      LEU  55   0.002  28.733  -4.698
  414   3HD1  LEU  55          3HD1      LEU  55  -0.330  26.986  -4.672
  415   1HD2  LEU  55          1HD2      LEU  55  -0.492  28.658  -7.154
  416   2HD2  LEU  55          2HD2      LEU  55   0.407  27.555  -8.210
  417   3HD2  LEU  55          3HD2      LEU  55  -0.725  26.902  -7.035
  418    H    VAL  56           H        VAL  56   2.760  29.371  -9.273
  419    HA   VAL  56           HA       VAL  56   1.293  27.334 -10.598
  420    HB   VAL  56           HB       VAL  56   2.603  29.767 -11.882
  421   1HG1  VAL  56          1HG1      VAL  56   0.808  29.536 -13.582
  422   2HG1  VAL  56          2HG1      VAL  56   1.814  28.085 -13.580
  423   3HG1  VAL  56          3HG1      VAL  56   0.215  28.066 -12.797
  424   1HG2  VAL  56          1HG2      VAL  56   0.336  30.769 -11.614
  425   2HG2  VAL  56          2HG2      VAL  56  -0.171  29.324 -10.702
  426   3HG2  VAL  56          3HG2      VAL  56   1.052  30.390 -10.047
  427    H    THR  57           H        THR  57   4.646  28.402 -11.329
  428    HA   THR  57           HA       THR  57   5.251  26.373 -13.247
  429    HB   THR  57           HB       THR  57   7.105  27.872 -11.354
  430    HG1  THR  57           1HG      THR  57   6.380  28.350 -14.065
  431   1HG2  THR  57          1HG2      THR  57   8.830  27.469 -13.110
  432   2HG2  THR  57          2HG2      THR  57   8.314  25.975 -12.325
  433   3HG2  THR  57          3HG2      THR  57   7.706  26.376 -13.950
  434    H    SER  58           H        SER  58   5.802  26.402  -9.684
  435    HA   SER  58           HA       SER  58   7.024  23.821  -9.558
  436   1HB   SER  58          2HB       SER  58   5.427  25.215  -7.392
  437   2HB   SER  58          3HB       SER  58   6.550  23.854  -7.187
  438    HG   SER  58           HG       SER  58   7.111  26.518  -7.947
  439    H    CYS  59           H        CYS  59   3.596  24.750  -9.339
  440    HA   CYS  59           HA       CYS  59   2.454  22.199  -8.851
  441   1HB   CYS  59          2HB       CYS  59   1.250  24.269  -8.560
  442   2HB   CYS  59          3HB       CYS  59   1.470  24.727 -10.230
  443    H    VAL  60           H        VAL  60   3.050  23.803 -12.025
  444    HA   VAL  60           HA       VAL  60   2.311  21.599 -13.688
  445    HB   VAL  60           HB       VAL  60   4.270  23.876 -14.062
  446   1HG1  VAL  60          1HG1      VAL  60   5.134  22.124 -15.520
  447   2HG1  VAL  60          2HG1      VAL  60   3.500  21.801 -16.144
  448   3HG1  VAL  60          3HG1      VAL  60   4.304  23.347 -16.480
  449   1HG2  VAL  60          1HG2      VAL  60   1.787  24.342 -13.993
  450   2HG2  VAL  60          2HG2      VAL  60   2.543  24.736 -15.546
  451   3HG2  VAL  60          3HG2      VAL  60   1.607  23.236 -15.382
  452    H    ASN  61           H        ASN  61   5.510  22.344 -12.280
  453    HA   ASN  61           HA       ASN  61   6.877  20.015 -13.241
  454   1HB   ASN  61          2HB       ASN  61   7.353  21.954 -10.953
  455   2HB   ASN  61          3HB       ASN  61   8.344  20.512 -11.132
  456   1HD2  ASN  61          2HD2      ASN  61   7.393  23.531 -12.805
  457   2HD2  ASN  61          1HD2      ASN  61   8.810  23.511 -13.860
  458    H    ALA  62           H        ALA  62   5.075  20.459 -10.138
  459    HA   ALA  62           HA       ALA  62   5.553  17.826  -9.132
  460   1HB   ALA  62          1HB       ALA  62   4.774  19.726  -7.777
  461   2HB   ALA  62          2HB       ALA  62   3.227  19.744  -8.655
  462   3HB   ALA  62          3HB       ALA  62   3.665  18.349  -7.648
  463    H    THR  63           H        THR  63   2.914  19.156 -11.113
  464    HA   THR  63           HA       THR  63   1.316  16.841 -11.393
  465    HB   THR  63           HB       THR  63   1.687  18.992 -13.508
  466    HG1  THR  63           1HG      THR  63   1.121  19.916 -11.550
  467   1HG2  THR  63          1HG2      THR  63  -0.667  17.168 -12.845
  468   2HG2  THR  63          2HG2      THR  63  -0.651  18.450 -14.064
  469   3HG2  THR  63          3HG2      THR  63   0.377  17.025 -14.279
  470    H    GLN  64           H        GLN  64   3.993  17.923 -13.550
  471    HA   GLN  64           HA       GLN  64   4.124  15.737 -15.276
  472   1HB   GLN  64          2HB       GLN  64   6.309  17.498 -14.130
  473   2HB   GLN  64          3HB       GLN  64   6.642  16.228 -15.309
  474   1HG   GLN  64          2HG       GLN  64   5.227  17.251 -16.957
  475   2HG   GLN  64          3HG       GLN  64   4.618  18.429 -15.783
  476   1HE2  GLN  64          2HE2      GLN  64   5.278  20.034 -17.466
  477   2HE2  GLN  64          1HE2      GLN  64   6.969  20.531 -17.478
  478    H    ALA  65           H        ALA  65   6.005  16.069 -12.227
  479    HA   ALA  65           HA       ALA  65   7.128  13.532 -12.153
  480   1HB   ALA  65          1HB       ALA  65   7.562  14.041  -9.784
  481   2HB   ALA  65          2HB       ALA  65   7.858  15.456 -10.812
  482   3HB   ALA  65          3HB       ALA  65   6.373  15.361  -9.839
  483    H    ALA  66           H        ALA  66   3.988  14.525 -10.796
  484    HA   ALA  66           HA       ALA  66   3.398  12.060  -9.454
  485   1HB   ALA  66          1HB       ALA  66   1.155  13.059  -9.222
  486   2HB   ALA  66          2HB       ALA  66   2.431  14.234  -8.847
  487   3HB   ALA  66          3HB       ALA  66   1.592  14.315 -10.405
  488    H    ASN  67           H        ASN  67   2.444  13.255 -12.700
  489    HA   ASN  67           HA       ASN  67   0.929  10.707 -13.165
  490   1HB   ASN  67          2HB       ASN  67   0.443  13.341 -14.579
  491   2HB   ASN  67          3HB       ASN  67  -0.600  11.933 -14.512
  492   1HD2  ASN  67          2HD2      ASN  67   0.493  14.781 -12.861
  493   2HD2  ASN  67          1HD2      ASN  67  -0.747  14.812 -11.623
  494    H    GLN  68           H        GLN  68   3.645  10.725 -13.568
  495    HA   GLN  68           HA       GLN  68   4.738  11.366 -16.026
  496   1HB   GLN  68          2HB       GLN  68   5.283   9.015 -14.188
  497   2HB   GLN  68          3HB       GLN  68   6.275   9.318 -15.614
  498   1HG   GLN  68          2HG       GLN  68   5.864  11.423 -13.473
  499   2HG   GLN  68          3HG       GLN  68   7.108  10.187 -13.358
  500   1HE2  GLN  68          2HE2      GLN  68   8.945  11.551 -13.526
  501   2HE2  GLN  68          1HE2      GLN  68   9.263  12.463 -14.999
  502    H    ALA  69           H        ALA  69   3.150   8.243 -15.330
  503    HA   ALA  69           HA       ALA  69   3.612   6.954 -17.772
  504   1HB   ALA  69          1HB       ALA  69   1.216   6.698 -15.902
  505   2HB   ALA  69          2HB       ALA  69   1.712   5.515 -17.131
  506   3HB   ALA  69          3HB       ALA  69   2.771   5.847 -15.747
  507    H    GLU  70           H        GLU  70   0.817   9.018 -16.940
  508    HA   GLU  70           HA       GLU  70  -0.691   8.713 -19.338
  509   1HB   GLU  70          2HB       GLU  70  -0.508  11.127 -17.486
  510   2HB   GLU  70          3HB       GLU  70  -1.752  10.866 -18.701
  511   1HG   GLU  70          2HG       GLU  70  -1.271   9.061 -16.284
  512   2HG   GLU  70          3HG       GLU  70  -2.470  10.338 -16.375
  513    H    PHE  71           H        PHE  71   1.607  11.329 -18.478
  514    HA   PHE  71           HA       PHE  71   1.635  12.586 -21.040
  515   1HB   PHE  71          2HB       PHE  71   3.843  12.522 -18.952
  516   2HB   PHE  71          3HB       PHE  71   3.699  13.670 -20.277
  517    HD1  PHE  71           HD1      PHE  71   1.049  14.709 -20.321
  518    HD2  PHE  71           HD2      PHE  71   3.380  13.518 -16.880
  519    HE1  PHE  71           HE1      PHE  71  -0.301  16.198 -18.880
  520    HE2  PHE  71           HE2      PHE  71   1.988  14.972 -15.455
  521    HZ   PHE  71           HZ       PHE  71   0.156  16.318 -16.442
  522    H    SER  72           H        SER  72   3.854  10.126 -19.699
  523    HA   SER  72           HA       SER  72   5.678   9.944 -21.834
  524   1HB   SER  72          2HB       SER  72   4.736   7.710 -19.994
  525   2HB   SER  72          3HB       SER  72   6.164   7.652 -21.041
  526    HG   SER  72           HG       SER  72   5.666   9.397 -18.855
  527    H    ARG  73           H        ARG  73   2.665   8.057 -21.423
  528    HA   ARG  73           HA       ARG  73   2.874   6.596 -23.923
  529   1HB   ARG  73          2HB       ARG  73   0.486   7.253 -22.143
  530   2HB   ARG  73          3HB       ARG  73   0.401   6.181 -23.539
  531   1HG   ARG  73          2HG       ARG  73   2.223   5.699 -21.138
  532   2HG   ARG  73          3HG       ARG  73   0.613   5.009 -21.332
  533   1HD   ARG  73          2HD       ARG  73   1.316   3.838 -23.373
  534   2HD   ARG  73          3HD       ARG  73   2.930   4.536 -23.264
  535    HE   ARG  73           HE       ARG  73   1.820   2.339 -21.659
  536   1HH1  ARG  73          1HH2      ARG  73   4.468   4.632 -21.797
  537   2HH1  ARG  73          2HH2      ARG  73   5.455   3.676 -20.721
  538   1HH2  ARG  73          1HH1      ARG  73   3.119   1.188 -20.310
  539   2HH2  ARG  73          2HH1      ARG  73   4.705   1.786 -19.907
  540    H    GLU  74           H        GLU  74   0.995   9.515 -23.100
  541    HA   GLU  74           HA       GLU  74  -0.110   9.835 -25.732
  542   1HB   GLU  74          2HB       GLU  74   0.206  11.752 -23.394
  543   2HB   GLU  74          3HB       GLU  74  -0.599  12.207 -24.890
  544   1HG   GLU  74          2HG       GLU  74  -1.458   9.877 -23.121
  545   2HG   GLU  74          3HG       GLU  74  -2.172  11.487 -23.104
  546    H    LYS  75           H        LYS  75   2.505  11.730 -24.226
  547    HA   LYS  75           HA       LYS  75   2.928  13.680 -26.095
  548   1HB   LYS  75          2HB       LYS  75   3.965  13.477 -23.851
  549   2HB   LYS  75          3HB       LYS  75   5.091  12.274 -24.488
  550   1HG   LYS  75          2HG       LYS  75   5.932  14.060 -26.094
  551   2HG   LYS  75          3HG       LYS  75   4.894  15.223 -25.266
  552   1HD   LYS  75          2HD       LYS  75   7.161  13.584 -24.043
  553   2HD   LYS  75          3HD       LYS  75   7.266  15.278 -24.497
  554   1HE   LYS  75          2HE       LYS  75   5.428  14.157 -22.328
  555   2HE   LYS  75          3HE       LYS  75   7.009  14.886 -22.050
  556   1HZ   LYS  75          1HZ       LYS  75   5.345  16.544 -21.705
  557   2HZ   LYS  75          2HZ       LYS  75   6.126  16.953 -23.077
  558   3HZ   LYS  75          3HZ       LYS  75   4.626  16.281 -23.146
  559    H    GLN  76           H        GLN  76   4.290  10.464 -26.396
  560    HA   GLN  76           HA       GLN  76   6.137  10.844 -28.505
  561   1HB   GLN  76          2HB       GLN  76   4.395   8.434 -27.850
  562   2HB   GLN  76          3HB       GLN  76   5.750   8.404 -28.975
  563   1HG   GLN  76          2HG       GLN  76   5.945   9.043 -26.000
  564   2HG   GLN  76          3HG       GLN  76   6.368   7.515 -26.761
  565   1HE2  GLN  76          2HE2      GLN  76   7.747  10.344 -25.579
  566   2HE2  GLN  76          1HE2      GLN  76   9.211  10.304 -26.556
  567    H    ASP  77           H        ASP  77   2.634  10.559 -28.737
  568    HA   ASP  77           HA       ASP  77   2.767  10.887 -31.724
  569   1HB   ASP  77          2HB       ASP  77   2.461   8.508 -31.103
  570   2HB   ASP  77          3HB       ASP  77   1.012   8.936 -30.193
  571    H    SER  78           H        SER  78   0.893  11.406 -28.783
  572    HA   SER  78           HA       SER  78  -1.446  12.532 -30.047
  573   1HB   SER  78          2HB       SER  78  -1.055  11.207 -27.780
  574   2HB   SER  78          3HB       SER  78  -0.813  12.813 -27.109
  575    HG   SER  78           HG       SER  78  -2.983  11.990 -27.069
  576    H    LYS  79           H        LYS  79   0.093  14.033 -31.211
  577    HA   LYS  79           HA       LYS  79   1.518  16.169 -30.259
  578   1HB   LYS  79          2HB       LYS  79   1.417  15.392 -32.602
  579   2HB   LYS  79          3HB       LYS  79  -0.178  16.125 -32.794
  580   1HG   LYS  79          2HG       LYS  79   0.827  18.377 -32.355
  581   2HG   LYS  79          3HG       LYS  79   2.420  17.609 -32.182
  582   1HD   LYS  79          2HD       LYS  79   2.278  16.785 -34.516
  583   2HD   LYS  79          3HD       LYS  79   0.673  17.531 -34.686
  584   1HE   LYS  79          2HE       LYS  79   1.671  19.764 -34.231
  585   2HE   LYS  79          3HE       LYS  79   3.268  19.020 -34.072
  586   1HZ   LYS  79          1HZ       LYS  79   2.931  19.924 -36.302
  587   2HZ   LYS  79          2HZ       LYS  79   3.090  18.304 -36.399
  588   3HZ   LYS  79          3HZ       LYS  79   1.614  18.992 -36.545
  589    H    LEU  80           H        LEU  80  -1.842  16.619 -31.344
  590    HA   LEU  80           HA       LEU  80  -2.081  19.287 -30.348
  591   1HB   LEU  80          2HB       LEU  80  -3.446  18.382 -32.163
  592   2HB   LEU  80          3HB       LEU  80  -4.227  17.249 -31.059
  593    HG   LEU  80           HG       LEU  80  -5.331  19.078 -29.865
  594   1HD1  LEU  80          1HD1      LEU  80  -3.679  20.891 -30.025
  595   2HD1  LEU  80          2HD1      LEU  80  -3.882  20.949 -31.792
  596   3HD1  LEU  80          3HD1      LEU  80  -5.214  21.416 -30.712
  597   1HD2  LEU  80          1HD2      LEU  80  -5.539  19.324 -32.898
  598   2HD2  LEU  80          2HD2      LEU  80  -6.430  18.188 -31.862
  599   3HD2  LEU  80          3HD2      LEU  80  -6.735  19.932 -31.741
  600    H    HIS  81           H        HIS  81  -3.067  16.168 -28.865
  601    HA   HIS  81           HA       HIS  81  -4.535  17.141 -26.708
  602   1HB   HIS  81          2HB       HIS  81  -4.207  14.729 -27.387
  603   2HB   HIS  81          3HB       HIS  81  -2.674  14.758 -26.539
  604    HD1  HIS  81           HD1      HIS  81  -4.153  12.706 -25.165
  605    HD2  HIS  81           HD2      HIS  81  -5.169  16.771 -24.528
  606    HE1  HIS  81           HE1      HIS  81  -5.657  12.791 -23.070
  607    HE2  HIS  81           HE2      HIS  81  -6.246  15.275 -22.689
  608    H    GLN  82           H        GLN  82  -0.990  16.640 -26.791
  609    HA   GLN  82           HA       GLN  82  -0.299  17.443 -24.189
  610   1HB   GLN  82          2HB       GLN  82   1.150  17.909 -26.821
  611   2HB   GLN  82          3HB       GLN  82   1.853  18.309 -25.256
  612   1HG   GLN  82          2HG       GLN  82   0.930  15.510 -26.036
  613   2HG   GLN  82          3HG       GLN  82   2.583  16.106 -26.168
  614   1HE2  GLN  82          2HE2      GLN  82   0.543  14.358 -24.114
  615   2HE2  GLN  82          1HE2      GLN  82   1.473  14.634 -22.647
  616    H    ARG  83           H        ARG  83  -0.659  19.672 -26.986
  617    HA   ARG  83           HA       ARG  83  -0.037  22.097 -25.578
  618   1HB   ARG  83          2HB       ARG  83  -1.730  21.608 -28.075
  619   2HB   ARG  83          3HB       ARG  83  -1.444  23.203 -27.397
  620   1HG   ARG  83          2HG       ARG  83   0.125  23.014 -29.103
  621   2HG   ARG  83          3HG       ARG  83   1.043  22.809 -27.610
  622   1HD   ARG  83          2HD       ARG  83   1.052  20.349 -27.978
  623   2HD   ARG  83          3HD       ARG  83   0.105  20.575 -29.466
  624    HE   ARG  83           HE       ARG  83   2.356  22.184 -29.795
  625   1HH1  ARG  83          1HH2      ARG  83   1.877  18.755 -29.326
  626   2HH1  ARG  83          2HH2      ARG  83   3.483  18.365 -29.918
  627   1HH2  ARG  83          1HH1      ARG  83   4.307  21.622 -30.656
  628   2HH2  ARG  83          2HH1      ARG  83   4.778  19.947 -30.726
  629    H    VAL  84           H        VAL  84  -3.198  20.714 -26.289
  630    HA   VAL  84           HA       VAL  84  -4.788  22.607 -24.840
  631    HB   VAL  84           HB       VAL  84  -5.501  19.707 -25.412
  632   1HG1  VAL  84          1HG1      VAL  84  -7.080  21.028 -23.897
  633   2HG1  VAL  84          2HG1      VAL  84  -7.309  22.151 -25.247
  634   3HG1  VAL  84          3HG1      VAL  84  -7.794  20.467 -25.424
  635   1HG2  VAL  84          1HG2      VAL  84  -5.795  22.188 -27.163
  636   2HG2  VAL  84          2HG2      VAL  84  -4.827  20.754 -27.536
  637   3HG2  VAL  84          3HG2      VAL  84  -6.580  20.627 -27.488
  638    H    LEU  85           H        LEU  85  -3.580  19.387 -23.823
  639    HA   LEU  85           HA       LEU  85  -4.631  19.391 -21.197
  640   1HB   LEU  85          2HB       LEU  85  -3.856  17.415 -22.438
  641   2HB   LEU  85          3HB       LEU  85  -2.191  17.988 -22.342
  642    HG   LEU  85           HG       LEU  85  -2.206  17.696 -19.893
  643   1HD1  LEU  85          1HD1      LEU  85  -5.040  16.630 -20.299
  644   2HD1  LEU  85          2HD1      LEU  85  -4.082  16.468 -18.810
  645   3HD1  LEU  85          3HD1      LEU  85  -4.577  18.070 -19.356
  646   1HD2  LEU  85          1HD2      LEU  85  -3.220  15.266 -21.436
  647   2HD2  LEU  85          2HD2      LEU  85  -1.537  15.828 -21.357
  648   3HD2  LEU  85          3HD2      LEU  85  -2.337  15.224 -19.896
  649    H    TRP  86           H        TRP  86  -1.345  20.438 -22.263
  650    HA   TRP  86           HA       TRP  86  -0.500  21.223 -19.643
  651   1HB   TRP  86          2HB       TRP  86   0.432  22.010 -22.412
  652   2HB   TRP  86          3HB       TRP  86   1.151  22.689 -20.945
  653    HD1  TRP  86           HD1      TRP  86   1.725  19.881 -23.176
  654    HE1  TRP  86           HE1      TRP  86   2.748  17.827 -22.054
  655    HE3  TRP  86           HE3      TRP  86   1.451  21.460 -18.322
  656    HZ2  TRP  86           HZ2      TRP  86   3.212  16.908 -19.315
  657    HZ3  TRP  86           HZ3      TRP  86   2.136  19.977 -16.464
  658    HH2  TRP  86           HH2      TRP  86   2.895  17.644 -16.960
  659    H    ARG  87           H        ARG  87  -2.192  23.109 -22.142
  660    HA   ARG  87           HA       ARG  87  -2.375  25.528 -20.577
  661   1HB   ARG  87          2HB       ARG  87  -2.880  25.531 -22.956
  662   2HB   ARG  87          3HB       ARG  87  -4.202  24.398 -22.715
  663   1HG   ARG  87          2HG       ARG  87  -5.086  26.625 -23.041
  664   2HG   ARG  87          3HG       ARG  87  -5.451  26.099 -21.403
  665   1HD   ARG  87          2HD       ARG  87  -3.504  27.450 -20.569
  666   2HD   ARG  87          3HD       ARG  87  -3.201  28.007 -22.219
  667    HE   ARG  87           HE       ARG  87  -5.264  28.948 -20.364
  668   1HH1  ARG  87          1HH2      ARG  87  -4.607  28.822 -23.819
  669   2HH1  ARG  87          2HH2      ARG  87  -6.017  29.823 -24.133
  670   1HH2  ARG  87          1HH1      ARG  87  -6.719  30.298 -20.809
  671   2HH2  ARG  87          2HH1      ARG  87  -7.085  30.807 -22.469
  672    H    LEU  88           H        LEU  88  -4.590  22.722 -20.716
  673    HA   LEU  88           HA       LEU  88  -6.496  23.508 -18.812
  674   1HB   LEU  88          2HB       LEU  88  -6.168  21.292 -20.296
  675   2HB   LEU  88          3HB       LEU  88  -5.479  20.661 -18.823
  676    HG   LEU  88           HG       LEU  88  -7.667  19.950 -18.785
  677   1HD1  LEU  88          1HD1      LEU  88  -7.890  22.485 -17.134
  678   2HD1  LEU  88          2HD1      LEU  88  -8.797  20.978 -16.942
  679   3HD1  LEU  88          3HD1      LEU  88  -7.059  20.993 -16.622
  680   1HD2  LEU  88          1HD2      LEU  88  -8.495  21.294 -20.627
  681   2HD2  LEU  88          2HD2      LEU  88  -9.626  21.331 -19.273
  682   3HD2  LEU  88          3HD2      LEU  88  -8.571  22.729 -19.581
  683    H    ILE  89           H        ILE  89  -3.549  21.620 -18.151
  684    HA   ILE  89           HA       ILE  89  -3.611  21.622 -15.319
  685    HB   ILE  89           HB       ILE  89  -1.305  21.463 -17.288
  686   1HG1  ILE  89          2HG1      ILE  89  -2.565  19.279 -15.565
  687   2HG1  ILE  89          3HG1      ILE  89  -3.145  19.641 -17.180
  688   1HG2  ILE  89          1HG2      ILE  89  -1.223  20.938 -14.280
  689   2HG2  ILE  89          2HG2      ILE  89   0.083  20.587 -15.422
  690   3HG2  ILE  89          3HG2      ILE  89  -0.394  22.250 -15.124
  691   1HD1  ILE  89          1HD1      ILE  89  -1.659  17.769 -17.316
  692   2HD1  ILE  89          2HD1      ILE  89  -0.893  19.150 -18.121
  693   3HD1  ILE  89          3HD1      ILE  89  -0.355  18.647 -16.500
  694    H    LYS  90           H        LYS  90  -1.944  23.962 -17.476
  695    HA   LYS  90           HA       LYS  90  -0.997  25.683 -15.422
  696   1HB   LYS  90          2HB       LYS  90  -0.257  25.647 -17.815
  697   2HB   LYS  90          3HB       LYS  90  -1.770  26.453 -18.266
  698   1HG   LYS  90          2HG       LYS  90  -1.154  28.379 -16.803
  699   2HG   LYS  90          3HG       LYS  90   0.363  27.573 -16.385
  700   1HD   LYS  90          2HD       LYS  90  -0.479  28.413 -19.200
  701   2HD   LYS  90          3HD       LYS  90   0.589  29.339 -18.135
  702   1HE   LYS  90          2HE       LYS  90   2.192  27.431 -18.083
  703   2HE   LYS  90          3HE       LYS  90   1.149  26.531 -19.192
  704   1HZ   LYS  90          1HZ       LYS  90   2.459  29.126 -19.817
  705   2HZ   LYS  90          2HZ       LYS  90   2.927  27.671 -20.387
  706   3HZ   LYS  90          3HZ       LYS  90   1.491  28.298 -20.841
  707    H    GLU  91           H        GLU  91  -4.114  25.926 -17.209
  708    HA   GLU  91           HA       GLU  91  -5.130  28.217 -15.864
  709   1HB   GLU  91          2HB       GLU  91  -6.527  25.768 -16.988
  710   2HB   GLU  91          3HB       GLU  91  -7.411  27.097 -16.266
  711   1HG   GLU  91          2HG       GLU  91  -5.500  27.388 -18.624
  712   2HG   GLU  91          3HG       GLU  91  -7.236  27.164 -18.767
  713    H    ILE  92           H        ILE  92  -5.461  24.770 -14.850
  714    HA   ILE  92           HA       ILE  92  -6.724  25.289 -12.341
  715    HB   ILE  92           HB       ILE  92  -4.897  22.991 -13.136
  716   1HG1  ILE  92          2HG1      ILE  92  -7.935  23.115 -12.906
  717   2HG1  ILE  92          3HG1      ILE  92  -7.074  23.304 -14.427
  718   1HG2  ILE  92          1HG2      ILE  92  -6.698  23.334 -10.686
  719   2HG2  ILE  92          2HG2      ILE  92  -5.929  21.811 -11.163
  720   3HG2  ILE  92          3HG2      ILE  92  -4.926  23.158 -10.685
  721   1HD1  ILE  92          1HD1      ILE  92  -7.097  20.800 -12.709
  722   2HD1  ILE  92          2HD1      ILE  92  -7.847  21.035 -14.286
  723   3HD1  ILE  92          3HD1      ILE  92  -6.074  21.030 -14.147
  724    H    CYS  93           H        CYS  93  -3.215  24.869 -13.003
  725    HA   CYS  93           HA       CYS  93  -2.297  25.350 -10.366
  726   1HB   CYS  93          2HB       CYS  93  -0.998  25.700 -13.080
  727   2HB   CYS  93          3HB       CYS  93  -0.119  25.919 -11.580
  728    H    SER  94           H        SER  94  -2.804  27.723 -12.999
  729    HA   SER  94           HA       SER  94  -2.003  30.084 -11.568
  730   1HB   SER  94          2HB       SER  94  -2.214  29.883 -14.032
  731   2HB   SER  94          3HB       SER  94  -3.978  29.822 -13.855
  732    HG   SER  94           HG       SER  94  -3.207  31.940 -14.290
  733    H    ALA  95           H        ALA  95  -5.196  28.586 -11.988
  734    HA   ALA  95           HA       ALA  95  -6.785  30.627 -10.903
  735   1HB   ALA  95          1HB       ALA  95  -7.290  27.622 -10.945
  736   2HB   ALA  95          2HB       ALA  95  -8.519  28.871 -10.654
  737   3HB   ALA  95          3HB       ALA  95  -7.697  28.796 -12.220
  738    H    LYS  96           H        LYS  96  -5.481  27.805  -9.134
  739    HA   LYS  96           HA       LYS  96  -6.614  28.490  -6.574
  740   1HB   LYS  96          2HB       LYS  96  -5.042  26.852  -5.638
  741   2HB   LYS  96          3HB       LYS  96  -5.929  26.245  -7.036
  742   1HG   LYS  96          2HG       LYS  96  -3.919  26.621  -8.472
  743   2HG   LYS  96          3HG       LYS  96  -3.048  27.253  -7.075
  744   1HD   LYS  96          2HD       LYS  96  -2.372  24.975  -7.464
  745   2HD   LYS  96          3HD       LYS  96  -3.274  25.061  -5.944
  746   1HE   LYS  96          2HE       LYS  96  -5.321  24.241  -7.168
  747   2HE   LYS  96          3HE       LYS  96  -4.360  24.097  -8.644
  748   1HZ   LYS  96          1HZ       LYS  96  -4.533  21.978  -7.349
  749   2HZ   LYS  96          2HZ       LYS  96  -2.979  22.461  -7.528
  750   3HZ   LYS  96          3HZ       LYS  96  -3.764  22.673  -6.100
  751    H    HIS  97           H        HIS  97  -5.880  29.588  -4.842
  752    HA   HIS  97           HA       HIS  97  -3.351  31.151  -4.968
  753   1HB   HIS  97          2HB       HIS  97  -6.115  32.283  -4.331
  754   2HB   HIS  97          3HB       HIS  97  -4.611  33.157  -4.118
  755    HD1  HIS  97           HD1      HIS  97  -4.107  31.647  -7.399
  756    HD2  HIS  97           HD2      HIS  97  -6.507  34.712  -5.743
  757    HE1  HIS  97           HE1      HIS  97  -4.831  33.143  -9.353
  758    HE2  HIS  97           HE2      HIS  97  -6.274  35.030  -8.344
  759    H    CYS  98           H        CYS  98  -2.934  32.266  -2.815
  760    HA   CYS  98           HA       CYS  98  -3.579  30.404  -0.560
  761   1HB   CYS  98          2HB       CYS  98  -0.935  31.753  -1.156
  762   2HB   CYS  98          3HB       CYS  98  -1.274  30.624   0.155
  763    H    ASP  99           H        ASP  99  -4.019  31.201   1.380
  764    HA   ASP  99           HA       ASP  99  -5.235  33.687   1.648
  765   1HB   ASP  99          2HB       ASP  99  -5.689  31.687   3.015
  766   2HB   ASP  99          3HB       ASP  99  -4.129  31.865   3.819
  767    H    PHE 100           H        PHE 100  -1.960  32.815   2.760
  768    HA   PHE 100           HA       PHE 100  -1.481  35.307   4.120
  769   1HB   PHE 100          2HB       PHE 100   0.792  34.462   4.415
  770   2HB   PHE 100          3HB       PHE 100  -0.432  33.297   4.863
  771    HD1  PHE 100           HD1      PHE 100  -0.163  31.068   4.153
  772    HD2  PHE 100           HD2      PHE 100   1.763  34.221   1.925
  773    HE1  PHE 100           HE1      PHE 100   1.006  29.384   2.770
  774    HE2  PHE 100           HE2      PHE 100   2.901  32.529   0.522
  775    HZ   PHE 100           HZ       PHE 100   2.540  30.130   0.924
  776    H    TRP 101           H        TRP 101  -1.393  34.739   0.735
  777    HA   TRP 101           HA       TRP 101   0.888  36.267  -0.025
  778   1HB   TRP 101          2HB       TRP 101  -1.722  35.712  -1.462
  779   2HB   TRP 101          3HB       TRP 101  -0.419  36.644  -2.176
  780    HD1  TRP 101           HD1      TRP 101   1.731  34.393  -0.658
  781    HE1  TRP 101           HE1      TRP 101   2.342  32.410  -2.090
  782    HE3  TRP 101           HE3      TRP 101  -2.125  34.634  -4.034
  783    HZ2  TRP 101           HZ2      TRP 101   1.272  31.002  -4.374
  784    HZ3  TRP 101           HZ3      TRP 101  -2.262  32.962  -5.874
  785    HH2  TRP 101           HH2      TRP 101  -0.581  31.133  -6.044
  786    H    LEU 102           H        LEU 102   1.395  38.266  -0.173
  787    HA   LEU 102           HA       LEU 102  -0.490  40.479   0.376
  788   1HB   LEU 102          2HB       LEU 102   0.895  41.218   2.294
  789   2HB   LEU 102          3HB       LEU 102   0.119  39.672   2.537
  790    HG   LEU 102           HG       LEU 102   2.375  38.560   1.939
  791   1HD1  LEU 102          1HD1      LEU 102   3.605  40.438   0.962
  792   2HD1  LEU 102          2HD1      LEU 102   3.357  41.407   2.433
  793   3HD1  LEU 102          3HD1      LEU 102   4.378  39.953   2.463
  794   1HD2  LEU 102          1HD2      LEU 102   3.218  38.851   4.211
  795   2HD2  LEU 102          2HD2      LEU 102   2.200  40.297   4.429
  796   3HD2  LEU 102          3HD2      LEU 102   1.460  38.693   4.216
  797    H    GLU 103           H        GLU 103   0.844  42.594   0.511
  798    HA   GLU 103           HA       GLU 103   3.136  42.674  -1.380
  799   1HB   GLU 103          2HB       GLU 103   1.092  42.970  -2.750
  800   2HB   GLU 103          3HB       GLU 103   0.638  44.372  -1.780
  801   1HG   GLU 103          2HG       GLU 103   2.744  45.517  -2.475
  802   2HG   GLU 103          3HG       GLU 103   3.208  44.091  -3.406
  803    H    ARG 104           H        ARG 104   1.056  45.188   0.095
  804    HA   ARG 104           HA       ARG 104   3.316  46.710   1.120
  805   1HB   ARG 104          2HB       ARG 104   1.136  47.688   0.375
  806   2HB   ARG 104          3HB       ARG 104   0.341  46.947   1.770
  807   1HG   ARG 104          2HG       ARG 104   1.774  48.270   3.300
  808   2HG   ARG 104          3HG       ARG 104   2.625  48.981   1.924
  809   1HD   ARG 104          2HD       ARG 104  -0.364  49.263   2.460
  810   2HD   ARG 104          3HD       ARG 104   0.862  50.441   2.957
  811    HE   ARG 104           HE       ARG 104   1.221  50.047   0.184
  812   1HH1  ARG 104          1HH2      ARG 104  -1.274  51.412   2.219
  813   2HH1  ARG 104          2HH2      ARG 104  -1.826  52.494   0.965
  814   1HH2  ARG 104          1HH1      ARG 104   0.475  51.426  -1.364
  815   2HH2  ARG 104          2HH1      ARG 104  -0.854  52.495  -1.006
  816    H    GLY 105           H        GLY 105   4.214  46.727   3.084
  817   1HA   GLY 105          2HA       GLY 105   3.863  44.553   4.959
  818   2HA   GLY 105          3HA       GLY 105   4.900  45.964   5.170
  819    H    ALA 106           H        ALA 106   3.419  48.084   5.403
  820    HA   ALA 106           HA       ALA 106   2.096  47.919   7.938
  821   1HB   ALA 106          1HB       ALA 106   3.322  49.905   7.161
  822   2HB   ALA 106          2HB       ALA 106   2.138  50.146   5.854
  823   3HB   ALA 106          3HB       ALA 106   1.641  50.315   7.551
  824    H    ALA 107           H        ALA 107   0.068  47.494   8.464
  825    HA   ALA 107           HA       ALA 107  -2.021  46.811   6.583
  826   1HB   ALA 107          1HB       ALA 107  -1.776  45.707   8.776
  827   2HB   ALA 107          2HB       ALA 107  -2.100  47.251   9.603
  828   3HB   ALA 107          3HB       ALA 107  -3.366  46.479   8.628
  Start of MODEL   13
    1   1H    ARG   1          H1        ARG   1   8.901  -1.812  -6.868
    2   2H    ARG   1          H2        ARG   1   9.325  -0.783  -5.670
    3   3H    ARG   1          H3        ARG   1   9.879  -2.322  -5.655
    4    HA   ARG   1           HA       ARG   1   7.066  -1.503  -5.342
    5   1HB   ARG   1          2HB       ARG   1   7.510  -3.739  -6.537
    6   2HB   ARG   1          3HB       ARG   1   8.200  -4.314  -5.017
    7   1HG   ARG   1          2HG       ARG   1   5.936  -3.731  -3.921
    8   2HG   ARG   1          3HG       ARG   1   5.345  -3.375  -5.549
    9   1HD   ARG   1          2HD       ARG   1   4.659  -5.595  -5.135
   10   2HD   ARG   1          3HD       ARG   1   6.058  -5.757  -6.186
   11    HE   ARG   1           HE       ARG   1   7.322  -6.662  -4.402
   12   1HH1  ARG   1          1HH2      ARG   1   4.155  -5.763  -3.160
   13   2HH1  ARG   1          2HH2      ARG   1   4.398  -6.745  -1.720
   14   1HH2  ARG   1          1HH1      ARG   1   7.531  -7.781  -2.498
   15   2HH2  ARG   1          2HH1      ARG   1   6.224  -7.749  -1.327
   16    H    VAL   2           H        VAL   2   6.382  -1.172  -3.260
   17    HA   VAL   2           HA       VAL   2   8.272  -1.096  -1.031
   18    HB   VAL   2           HB       VAL   2   5.232  -0.872  -1.049
   19   1HG1  VAL   2          1HG1      VAL   2   7.269  -0.223   1.136
   20   2HG1  VAL   2          2HG1      VAL   2   5.543   0.195   1.181
   21   3HG1  VAL   2          3HG1      VAL   2   6.031  -1.497   1.201
   22   1HG2  VAL   2          1HG2      VAL   2   5.666   1.555  -0.774
   23   2HG2  VAL   2          2HG2      VAL   2   7.411   1.266  -0.947
   24   3HG2  VAL   2          3HG2      VAL   2   6.308   0.964  -2.308
   25    H    ALA   3           H        ALA   3   9.000  -2.864  -0.046
   26    HA   ALA   3           HA       ALA   3   7.792  -5.480  -0.233
   27   1HB   ALA   3          1HB       ALA   3   9.957  -4.404   1.629
   28   2HB   ALA   3          2HB       ALA   3   9.587  -6.112   1.341
   29   3HB   ALA   3          3HB       ALA   3  10.232  -5.116   0.016
   30    H    GLU   4           H        GLU   4   6.789  -6.728   1.342
   31    HA   GLU   4           HA       GLU   4   5.144  -5.517   3.383
   32   1HB   GLU   4          2HB       GLU   4   6.068  -8.415   3.049
   33   2HB   GLU   4          3HB       GLU   4   4.832  -7.846   4.157
   34   1HG   GLU   4          2HG       GLU   4   3.694  -8.797   2.327
   35   2HG   GLU   4          3HG       GLU   4   3.465  -7.052   2.235
   36    H    ASN   5           H        ASN   5   5.642  -5.006   5.443
   37    HA   ASN   5           HA       ASN   5   8.256  -5.501   6.647
   38   1HB   ASN   5          2HB       ASN   5   6.762  -3.473   6.997
   39   2HB   ASN   5          3HB       ASN   5   5.722  -4.481   8.000
   40   1HD2  ASN   5          2HD2      ASN   5   6.967  -5.641   9.859
   41   2HD2  ASN   5          1HD2      ASN   5   8.178  -4.644  10.671
   42    H    ARG   6           H        ARG   6   7.854  -7.822   6.007
   43    HA   ARG   6           HA       ARG   6   6.349  -9.604   7.778
   44   1HB   ARG   6          2HB       ARG   6   7.160 -11.353   6.329
   45   2HB   ARG   6          3HB       ARG   6   6.700  -9.983   5.334
   46   1HG   ARG   6          2HG       ARG   6   9.160  -9.331   5.229
   47   2HG   ARG   6          3HG       ARG   6   9.513 -10.803   6.142
   48   1HD   ARG   6          2HD       ARG   6   9.894 -11.466   3.958
   49   2HD   ARG   6          3HD       ARG   6   8.281 -12.086   4.270
   50    HE   ARG   6           HE       ARG   6   7.534  -9.838   3.098
   51   1HH1  ARG   6          1HH2      ARG   6  10.355 -11.676   2.073
   52   2HH1  ARG   6          2HH2      ARG   6  10.183 -11.143   0.429
   53   1HH2  ARG   6          1HH1      ARG   6   7.352  -9.263   0.904
   54   2HH2  ARG   6          2HH1      ARG   6   8.581  -9.850  -0.166
   55    HA   PRO   7           HA       PRO   7   9.350 -10.357  10.943
   56   1HB   PRO   7          2HB       PRO   7   9.525 -13.139  11.129
   57   2HB   PRO   7          3HB       PRO   7   8.264 -12.107  11.867
   58   1HG   PRO   7          2HG       PRO   7   8.160 -13.611   9.243
   59   2HG   PRO   7          3HG       PRO   7   6.903 -13.510  10.518
   60   1HD   PRO   7          2HD       PRO   7   6.739 -11.987   8.315
   61   2HD   PRO   7          3HD       PRO   7   6.344 -11.280   9.905
   62    H    GLY   8           H        GLY   8  11.376  -9.963  10.784
   63   1HA   GLY   8          2HA       GLY   8  13.698 -10.657  10.196
   64   2HA   GLY   8          3HA       GLY   8  13.087 -11.016   8.581
   65    H    ALA   9           H        ALA   9  11.264  -8.449   8.925
   66    HA   ALA   9           HA       ALA   9  12.809  -6.893   7.192
   67   1HB   ALA   9          1HB       ALA   9  10.383  -6.804   7.280
   68   2HB   ALA   9          2HB       ALA   9  10.428  -6.092   8.911
   69   3HB   ALA   9          3HB       ALA   9  11.047  -5.178   7.518
   70    H    PHE  10           H        PHE  10  14.274  -5.315   7.330
   71    HA   PHE  10           HA       PHE  10  15.580  -4.444   9.725
   72   1HB   PHE  10          2HB       PHE  10  15.299  -3.155   6.984
   73   2HB   PHE  10          3HB       PHE  10  16.344  -2.548   8.227
   74    HD1  PHE  10           HD1      PHE  10  17.466  -2.879   5.702
   75    HD2  PHE  10           HD2      PHE  10  16.988  -5.899   8.758
   76    HE1  PHE  10           HE1      PHE  10  19.452  -4.083   4.834
   77    HE2  PHE  10           HE2      PHE  10  18.982  -7.063   7.892
   78    HZ   PHE  10           HZ       PHE  10  20.208  -6.182   5.924
   79    H    ILE  11           H        ILE  11  15.288  -2.753  11.080
   80    HA   ILE  11           HA       ILE  11  13.094  -0.779  10.572
   81    HB   ILE  11           HB       ILE  11  14.246  -1.552  13.269
   82   1HG1  ILE  11          2HG1      ILE  11  11.493  -2.253  12.148
   83   2HG1  ILE  11          3HG1      ILE  11  12.842  -3.382  12.217
   84   1HG2  ILE  11          1HG2      ILE  11  11.836   0.172  12.514
   85   2HG2  ILE  11          2HG2      ILE  11  12.451  -0.122  14.154
   86   3HG2  ILE  11          3HG2      ILE  11  13.408   0.813  13.016
   87   1HD1  ILE  11          1HD1      ILE  11  11.496  -2.100  14.627
   88   2HD1  ILE  11          2HD1      ILE  11  11.392  -3.784  14.115
   89   3HD1  ILE  11          3HD1      ILE  11  12.939  -3.141  14.694
   90    H    LYS  12           H        LYS  12  14.177   0.631   9.443
   91    HA   LYS  12           HA       LYS  12  16.882   1.626  10.221
   92   1HB   LYS  12          2HB       LYS  12  15.200   2.169   7.738
   93   2HB   LYS  12          3HB       LYS  12  16.822   2.810   8.057
   94   1HG   LYS  12          2HG       LYS  12  17.636   0.422   8.299
   95   2HG   LYS  12          3HG       LYS  12  16.066  -0.131   7.721
   96   1HD   LYS  12          2HD       LYS  12  17.970   1.690   6.179
   97   2HD   LYS  12          3HD       LYS  12  17.854  -0.065   5.982
   98   1HE   LYS  12          2HE       LYS  12  15.464   0.163   5.322
   99   2HE   LYS  12          3HE       LYS  12  15.598   1.921   5.467
  100   1HZ   LYS  12          1HZ       LYS  12  15.913   1.189   3.169
  101   2HZ   LYS  12          2HZ       LYS  12  17.290   1.873   3.714
  102   3HZ   LYS  12          3HZ       LYS  12  17.181   0.247   3.582
  103    H    GLN  13           H        GLN  13  17.104   3.226  11.452
  104    HA   GLN  13           HA       GLN  13  14.966   5.273  11.935
  105   1HB   GLN  13          2HB       GLN  13  16.980   4.044  13.866
  106   2HB   GLN  13          3HB       GLN  13  15.798   5.290  14.259
  107   1HG   GLN  13          2HG       GLN  13  13.951   3.731  13.852
  108   2HG   GLN  13          3HG       GLN  13  15.081   2.487  13.296
  109   1HE2  GLN  13          2HE2      GLN  13  15.130   0.878  14.875
  110   2HE2  GLN  13          1HE2      GLN  13  15.289   1.241  16.590
  111    H    GLY  14           H        GLY  14  18.464   4.654  11.859
  112   1HA   GLY  14          2HA       GLY  14  20.239   6.091  11.289
  113   2HA   GLY  14          3HA       GLY  14  19.146   7.480  11.271
  114    H    ARG  15           H        ARG  15  20.087   4.978  13.673
  115    HA   ARG  15           HA       ARG  15  20.611   7.070  15.760
  116   1HB   ARG  15          2HB       ARG  15  18.463   5.772  15.972
  117   2HB   ARG  15          3HB       ARG  15  19.407   4.288  16.082
  118   1HG   ARG  15          2HG       ARG  15  20.577   5.354  18.127
  119   2HG   ARG  15          3HG       ARG  15  19.349   6.624  18.041
  120   1HD   ARG  15          2HD       ARG  15  18.878   3.631  18.401
  121   2HD   ARG  15          3HD       ARG  15  18.736   4.848  19.662
  122    HE   ARG  15           HE       ARG  15  16.823   4.284  17.467
  123   1HH1  ARG  15          1HH2      ARG  15  17.558   6.601  20.004
  124   2HH1  ARG  15          2HH2      ARG  15  15.926   7.220  19.991
  125   1HH2  ARG  15          1HH1      ARG  15  14.864   5.043  17.540
  126   2HH2  ARG  15          2HH1      ARG  15  14.409   6.366  18.608
  127    H    LYS  16           H        LYS  16  22.717   7.056  14.944
  128    HA   LYS  16           HA       LYS  16  24.461   5.078  14.291
  129   1HB   LYS  16          2HB       LYS  16  24.657   7.602  14.135
  130   2HB   LYS  16          3HB       LYS  16  25.269   7.600  15.783
  131   1HG   LYS  16          2HG       LYS  16  27.169   6.133  15.016
  132   2HG   LYS  16          3HG       LYS  16  26.492   6.156  13.381
  133   1HD   LYS  16          2HD       LYS  16  26.666   8.703  13.457
  134   2HD   LYS  16          3HD       LYS  16  27.565   8.528  14.976
  135   1HE   LYS  16          2HE       LYS  16  29.265   7.147  13.800
  136   2HE   LYS  16          3HE       LYS  16  28.331   7.279  12.300
  137   1HZ   LYS  16          1HZ       LYS  16  28.671   9.710  12.411
  138   2HZ   LYS  16          2HZ       LYS  16  29.621   9.541  13.731
  139   3HZ   LYS  16          3HZ       LYS  16  30.084   8.915  12.290
  140    H    LEU  17           H        LEU  17  24.847   3.275  15.291
  141    HA   LEU  17           HA       LEU  17  24.758   2.902  18.157
  142   1HB   LEU  17          2HB       LEU  17  25.522   1.014  15.889
  143   2HB   LEU  17          3HB       LEU  17  25.200   0.511  17.541
  144    HG   LEU  17           HG       LEU  17  23.135   1.798  15.701
  145   1HD1  LEU  17          1HD1      LEU  17  23.473  -1.089  16.595
  146   2HD1  LEU  17          2HD1      LEU  17  22.166  -0.437  15.581
  147   3HD1  LEU  17          3HD1      LEU  17  23.831  -0.446  14.977
  148   1HD2  LEU  17          1HD2      LEU  17  22.842   0.498  18.451
  149   2HD2  LEU  17          2HD2      LEU  17  22.611   2.223  18.076
  150   3HD2  LEU  17          3HD2      LEU  17  21.506   1.025  17.401
  151    H    ASP  18           H        ASP  18  26.382   1.452  19.222
  152    HA   ASP  18           HA       ASP  18  29.222   2.175  18.617
  153   1HB   ASP  18          2HB       ASP  18  28.459   3.453  20.539
  154   2HB   ASP  18          3HB       ASP  18  27.865   1.989  21.325
  155    H    ILE  19           H        ILE  19  29.569   0.360  17.463
  156    HA   ILE  19           HA       ILE  19  29.781  -2.251  18.894
  157    HB   ILE  19           HB       ILE  19  28.732  -1.758  16.078
  158   1HG1  ILE  19          2HG1      ILE  19  27.379  -3.315  18.323
  159   2HG1  ILE  19          3HG1      ILE  19  27.100  -1.595  18.068
  160   1HG2  ILE  19          1HG2      ILE  19  29.459  -4.412  17.415
  161   2HG2  ILE  19          2HG2      ILE  19  28.623  -4.256  15.861
  162   3HG2  ILE  19          3HG2      ILE  19  30.273  -3.682  16.010
  163   1HD1  ILE  19          1HD1      ILE  19  25.322  -2.848  17.029
  164   2HD1  ILE  19          2HD1      ILE  19  26.272  -1.999  15.795
  165   3HD1  ILE  19          3HD1      ILE  19  26.464  -3.753  16.028
  166    H    ASP  20           H        ASP  20  31.855  -2.928  18.843
  167    HA   ASP  20           HA       ASP  20  33.802  -1.692  16.977
  168   1HB   ASP  20          2HB       ASP  20  34.437  -1.972  19.323
  169   2HB   ASP  20          3HB       ASP  20  34.198  -3.718  19.202
  170    H    PHE  21           H        PHE  21  32.934  -2.421  15.079
  171    HA   PHE  21           HA       PHE  21  32.626  -5.142  14.186
  172   1HB   PHE  21          2HB       PHE  21  33.326  -2.618  12.629
  173   2HB   PHE  21          3HB       PHE  21  32.728  -4.114  11.945
  174    HD1  PHE  21           HD1      PHE  21  31.804  -0.946  13.479
  175    HD2  PHE  21           HD2      PHE  21  30.381  -4.871  12.451
  176    HE1  PHE  21           HE1      PHE  21  29.465  -0.146  13.667
  177    HE2  PHE  21           HE2      PHE  21  28.039  -4.090  12.691
  178    HZ   PHE  21           HZ       PHE  21  27.575  -1.708  13.258
  179    H    GLY  22           H        GLY  22  35.258  -2.864  14.224
  180   1HA   GLY  22          2HA       GLY  22  37.657  -3.834  14.374
  181   2HA   GLY  22          3HA       GLY  22  37.213  -4.726  12.905
  182    H    ALA  23           H        ALA  23  39.363  -2.914  12.900
  183    HA   ALA  23           HA       ALA  23  39.046  -0.260  12.578
  184   1HB   ALA  23          1HB       ALA  23  40.903  -2.003  10.917
  185   2HB   ALA  23          2HB       ALA  23  41.086  -0.259  11.211
  186   3HB   ALA  23          3HB       ALA  23  41.203  -1.400  12.565
  187    H    GLU  24           H        GLU  24  38.765  -2.396   9.704
  188    HA   GLU  24           HA       GLU  24  38.085  -0.317   7.826
  189   1HB   GLU  24          2HB       GLU  24  37.391  -3.286   7.764
  190   2HB   GLU  24          3HB       GLU  24  37.234  -2.156   6.415
  191   1HG   GLU  24          2HG       GLU  24  39.709  -1.720   6.558
  192   2HG   GLU  24          3HG       GLU  24  39.812  -3.005   7.772
  193    H    GLY  25           H        GLY  25  36.038  -2.592   9.633
  194   1HA   GLY  25          2HA       GLY  25  33.549  -1.706   8.521
  195   2HA   GLY  25          3HA       GLY  25  33.736  -2.725   9.951
  196    H    ASN  26           H        ASN  26  35.221  -0.841  11.516
  197    HA   ASN  26           HA       ASN  26  33.241   0.813  12.738
  198   1HB   ASN  26          2HB       ASN  26  36.295   0.945  12.789
  199   2HB   ASN  26          3HB       ASN  26  35.238   1.907  13.825
  200   1HD2  ASN  26          2HD2      ASN  26  37.141   0.316  15.024
  201   2HD2  ASN  26          1HD2      ASN  26  36.305  -1.022  15.820
  202    H    ARG  27           H        ARG  27  35.836   1.582  10.418
  203    HA   ARG  27           HA       ARG  27  35.211   4.418  10.138
  204   1HB   ARG  27          2HB       ARG  27  36.796   2.464   8.417
  205   2HB   ARG  27          3HB       ARG  27  36.625   4.182   8.033
  206   1HG   ARG  27          2HG       ARG  27  37.697   4.840  10.112
  207   2HG   ARG  27          3HG       ARG  27  37.760   3.163  10.676
  208   1HD   ARG  27          2HD       ARG  27  39.229   2.567   8.778
  209   2HD   ARG  27          3HD       ARG  27  39.181   4.251   8.213
  210    HE   ARG  27           HE       ARG  27  40.041   4.255  10.926
  211   1HH1  ARG  27          1HH2      ARG  27  41.336   3.231   7.840
  212   2HH1  ARG  27          2HH2      ARG  27  42.988   3.439   8.367
  213   1HH2  ARG  27          1HH1      ARG  27  42.147   4.504  11.531
  214   2HH2  ARG  27          2HH1      ARG  27  43.425   4.142  10.403
  215    H    TYR  28           H        TYR  28  34.376   1.557   8.193
  216    HA   TYR  28           HA       TYR  28  32.860   2.867   6.196
  217   1HB   TYR  28          2HB       TYR  28  33.693   0.532   6.087
  218   2HB   TYR  28          3HB       TYR  28  32.535   0.063   7.318
  219    HD1  TYR  28           HD1      TYR  28  30.271  -0.388   6.781
  220    HD2  TYR  28           HD2      TYR  28  32.827   1.475   3.856
  221    HE1  TYR  28           HE1      TYR  28  28.476  -0.619   5.070
  222    HE2  TYR  28           HE2      TYR  28  31.018   1.253   2.141
  223    HH   TYR  28           HH       TYR  28  27.906  -0.307   2.935
  224    H    TYR  29           H        TYR  29  31.642   1.290   9.206
  225    HA   TYR  29           HA       TYR  29  28.925   2.052   8.947
  226   1HB   TYR  29          2HB       TYR  29  29.743   0.343  10.529
  227   2HB   TYR  29          3HB       TYR  29  30.542   1.587  11.481
  228    HD1  TYR  29           HD1      TYR  29  29.297   2.891  13.087
  229    HD2  TYR  29           HD2      TYR  29  27.217   0.393  10.247
  230    HE1  TYR  29           HE1      TYR  29  27.143   3.339  14.261
  231    HE2  TYR  29           HE2      TYR  29  25.069   0.866  11.402
  232    HH   TYR  29           HH       TYR  29  24.030   2.032  13.057
  233    H    ALA  30           H        ALA  30  31.546   3.754  10.782
  234    HA   ALA  30           HA       ALA  30  30.066   5.906  11.721
  235   1HB   ALA  30          1HB       ALA  30  32.951   5.896  10.745
  236   2HB   ALA  30          2HB       ALA  30  32.224   7.115  11.811
  237   3HB   ALA  30          3HB       ALA  30  32.381   5.439  12.367
  238    H    ALA  31           H        ALA  31  31.331   5.531   8.440
  239    HA   ALA  31           HA       ALA  31  30.395   8.167   7.544
  240   1HB   ALA  31          1HB       ALA  31  31.671   5.809   6.099
  241   2HB   ALA  31          2HB       ALA  31  31.352   7.407   5.386
  242   3HB   ALA  31          3HB       ALA  31  32.502   7.245   6.728
  243    H    ASN  32           H        ASN  32  29.148   4.841   7.378
  244    HA   ASN  32           HA       ASN  32  26.963   5.734   5.528
  245   1HB   ASN  32          2HB       ASN  32  28.361   3.046   5.685
  246   2HB   ASN  32          3HB       ASN  32  27.061   3.476   4.583
  247   1HD2  ASN  32          2HD2      ASN  32  30.453   3.768   5.202
  248   2HD2  ASN  32          1HD2      ASN  32  30.838   4.553   3.661
  249    H    TYR  33           H        TYR  33  27.073   5.060   8.690
  250    HA   TYR  33           HA       TYR  33  25.409   3.065   9.385
  251   1HB   TYR  33          2HB       TYR  33  24.811   4.251  11.378
  252   2HB   TYR  33          3HB       TYR  33  26.501   4.478  11.004
  253    HD1  TYR  33           HD1      TYR  33  27.297   6.699  10.079
  254    HD2  TYR  33           HD2      TYR  33  23.299   6.100  11.601
  255    HE1  TYR  33           HE1      TYR  33  27.010   9.160  10.312
  256    HE2  TYR  33           HE2      TYR  33  23.026   8.557  11.843
  257    HH   TYR  33           HH       TYR  33  23.983  10.617  11.559
  258    H    TRP  34           H        TRP  34  24.190   6.054   7.986
  259    HA   TRP  34           HA       TRP  34  21.428   5.868   8.406
  260   1HB   TRP  34          2HB       TRP  34  21.206   7.239   6.416
  261   2HB   TRP  34          3HB       TRP  34  22.537   7.791   7.416
  262    HD1  TRP  34           HD1      TRP  34  25.020   7.505   6.445
  263    HE1  TRP  34           HE1      TRP  34  25.943   7.138   4.068
  264    HE3  TRP  34           HE3      TRP  34  20.663   6.239   4.051
  265    HZ2  TRP  34           HZ2      TRP  34  24.959   6.256   1.524
  266    HZ3  TRP  34           HZ3      TRP  34  20.681   5.708   1.620
  267    HH2  TRP  34           HH2      TRP  34  22.816   5.702   0.350
  268    H    GLN  35           H        GLN  35  23.340   3.962   6.100
  269    HA   GLN  35           HA       GLN  35  21.106   2.850   4.622
  270   1HB   GLN  35          2HB       GLN  35  23.919   1.744   5.035
  271   2HB   GLN  35          3HB       GLN  35  22.746   1.206   3.826
  272   1HG   GLN  35          2HG       GLN  35  22.762   3.530   2.867
  273   2HG   GLN  35          3HG       GLN  35  24.118   3.912   3.942
  274   1HE2  GLN  35          2HE2      GLN  35  25.823   1.822   3.818
  275   2HE2  GLN  35          1HE2      GLN  35  26.291   1.504   2.149
  276    H    PHE  36           H        PHE  36  22.769   1.887   7.568
  277    HA   PHE  36           HA       PHE  36  22.095  -0.911   7.489
  278   1HB   PHE  36          2HB       PHE  36  23.232   0.937   9.623
  279   2HB   PHE  36          3HB       PHE  36  22.990  -0.761   9.880
  280    HD1  PHE  36           HD1      PHE  36  24.573  -2.385   9.174
  281    HD2  PHE  36           HD2      PHE  36  24.852   1.664   7.730
  282    HE1  PHE  36           HE1      PHE  36  26.883  -2.805   8.411
  283    HE2  PHE  36           HE2      PHE  36  27.161   1.226   6.933
  284    HZ   PHE  36           HZ       PHE  36  28.188  -1.014   7.318
  285    HA   PRO  37           HA       PRO  37  18.323  -0.912  10.010
  286   1HB   PRO  37          2HB       PRO  37  18.370  -3.402  11.059
  287   2HB   PRO  37          3HB       PRO  37  18.174  -3.119   9.326
  288   1HG   PRO  37          2HG       PRO  37  20.755  -3.819  10.744
  289   2HG   PRO  37          3HG       PRO  37  20.036  -4.608   9.309
  290   1HD   PRO  37          2HD       PRO  37  21.924  -2.648   9.098
  291   2HD   PRO  37          3HD       PRO  37  20.602  -2.811   7.905
  292    H    ASP  38           H        ASP  38  18.060   0.094  11.931
  293    HA   ASP  38           HA       ASP  38  20.170   0.041  14.022
  294   1HB   ASP  38          2HB       ASP  38  17.522   1.527  13.901
  295   2HB   ASP  38          3HB       ASP  38  18.783   1.748  15.111
  296    H    GLY  39           H        GLY  39  16.954  -1.142  13.382
  297   1HA   GLY  39          2HA       GLY  39  17.168  -3.137  15.586
  298   2HA   GLY  39          3HA       GLY  39  15.651  -2.246  15.367
  299    H    ILE  40           H        ILE  40  15.490  -4.926  15.158
  300    HA   ILE  40           HA       ILE  40  14.807  -5.324  12.288
  301    HB   ILE  40           HB       ILE  40  16.299  -7.385  13.960
  302   1HG1  ILE  40          2HG1      ILE  40  17.054  -6.080  11.295
  303   2HG1  ILE  40          3HG1      ILE  40  17.716  -5.603  12.852
  304   1HG2  ILE  40          1HG2      ILE  40  16.059  -8.857  11.955
  305   2HG2  ILE  40          2HG2      ILE  40  14.502  -8.478  12.657
  306   3HG2  ILE  40          3HG2      ILE  40  15.037  -7.625  11.193
  307   1HD1  ILE  40          1HD1      ILE  40  19.332  -6.977  11.855
  308   2HD1  ILE  40          2HD1      ILE  40  18.610  -7.934  13.161
  309   3HD1  ILE  40          3HD1      ILE  40  18.165  -8.248  11.465
  310    H    TYR  41           H        TYR  41  12.787  -5.876  12.092
  311    HA   TYR  41           HA       TYR  41  11.043  -6.481  14.369
  312   1HB   TYR  41          2HB       TYR  41  10.253  -5.076  12.519
  313   2HB   TYR  41          3HB       TYR  41  10.619  -6.335  11.359
  314    HD1  TYR  41           HD1      TYR  41   8.574  -5.782  14.482
  315    HD2  TYR  41           HD2      TYR  41   8.915  -7.772  10.674
  316    HE1  TYR  41           HE1      TYR  41   6.300  -6.762  14.789
  317    HE2  TYR  41           HE2      TYR  41   6.628  -8.726  10.963
  318    HH   TYR  41           HH       TYR  41   4.664  -8.088  13.891
  319    H    TYR  42           H        TYR  42  11.451  -8.488  15.247
  320    HA   TYR  42           HA       TYR  42  10.697 -10.818  13.652
  321   1HB   TYR  42          2HB       TYR  42  13.134 -10.687  13.207
  322   2HB   TYR  42          3HB       TYR  42  13.456 -10.678  14.938
  323    HD1  TYR  42           HD1      TYR  42  11.564 -12.708  12.387
  324    HD2  TYR  42           HD2      TYR  42  14.038 -12.755  15.923
  325    HE1  TYR  42           HE1      TYR  42  11.481 -15.202  12.422
  326    HE2  TYR  42           HE2      TYR  42  14.015 -15.251  15.899
  327    HH   TYR  42           HH       TYR  42  13.393 -17.132  14.704
  328    H    GLU  43           H        GLU  43   9.983 -12.534  14.853
  329    HA   GLU  43           HA       GLU  43   9.753 -12.220  17.825
  330   1HB   GLU  43          2HB       GLU  43   7.530 -12.947  15.884
  331   2HB   GLU  43          3HB       GLU  43   7.431 -13.037  17.652
  332   1HG   GLU  43          2HG       GLU  43   7.889 -10.591  17.789
  333   2HG   GLU  43          3HG       GLU  43   7.930 -10.513  16.031
  334    H    GLY  44           H        GLY  44  11.421 -13.637  18.027
  335   1HA   GLY  44          2HA       GLY  44  11.142 -16.466  17.086
  336   2HA   GLY  44          3HA       GLY  44  12.602 -15.700  17.690
  337    H    CYS  45           H        CYS  45   9.421 -15.676  19.268
  338    HA   CYS  45           HA       CYS  45  10.415 -17.400  21.476
  339   1HB   CYS  45          2HB       CYS  45   9.095 -14.676  21.744
  340   2HB   CYS  45          3HB       CYS  45   9.412 -15.773  23.078
  341    H    SER  46           H        SER  46   9.054 -19.037  21.691
  342    HA   SER  46           HA       SER  46   6.105 -18.638  21.616
  343   1HB   SER  46          2HB       SER  46   5.903 -20.824  20.441
  344   2HB   SER  46          3HB       SER  46   6.624 -19.532  19.466
  345    HG   SER  46           HG       SER  46   7.782 -21.494  19.260
  346    H    GLU  47           H        GLU  47   8.526 -21.178  22.326
  347    HA   GLU  47           HA       GLU  47   7.461 -21.532  25.077
  348   1HB   GLU  47          2HB       GLU  47   7.242 -23.962  24.744
  349   2HB   GLU  47          3HB       GLU  47   6.133 -23.054  23.719
  350   1HG   GLU  47          2HG       GLU  47   7.646 -23.389  21.767
  351   2HG   GLU  47          3HG       GLU  47   8.780 -24.263  22.795
  352    H    ALA  48           H        ALA  48   8.821 -22.829  26.487
  353    HA   ALA  48           HA       ALA  48  11.443 -22.040  26.527
  354   1HB   ALA  48          1HB       ALA  48  10.095 -22.705  28.468
  355   2HB   ALA  48          2HB       ALA  48  10.155 -24.405  27.940
  356   3HB   ALA  48          3HB       ALA  48  11.641 -23.570  28.442
  357    H    ASN  49           H        ASN  49  10.332 -24.766  24.723
  358    HA   ASN  49           HA       ASN  49  12.835 -26.210  24.508
  359   1HB   ASN  49          2HB       ASN  49  10.377 -26.071  22.712
  360   2HB   ASN  49          3HB       ASN  49  11.772 -27.099  22.385
  361   1HD2  ASN  49          2HD2      ASN  49   8.721 -27.285  23.696
  362   2HD2  ASN  49          1HD2      ASN  49   9.057 -28.584  24.842
  363    H    VAL  50           H        VAL  50  11.653 -23.274  22.936
  364    HA   VAL  50           HA       VAL  50  13.799 -23.103  20.940
  365    HB   VAL  50           HB       VAL  50  11.988 -20.916  22.063
  366   1HG1  VAL  50          1HG1      VAL  50  12.576 -19.731  19.957
  367   2HG1  VAL  50          2HG1      VAL  50  13.981 -19.963  20.990
  368   3HG1  VAL  50          3HG1      VAL  50  13.747 -21.009  19.569
  369   1HG2  VAL  50          1HG2      VAL  50  10.629 -22.635  20.949
  370   2HG2  VAL  50          2HG2      VAL  50  10.720 -21.186  19.949
  371   3HG2  VAL  50          3HG2      VAL  50  11.711 -22.605  19.536
  372    H    THR  51           H        THR  51  15.844 -22.315  21.277
  373    HA   THR  51           HA       THR  51  16.579 -21.277  23.984
  374    HB   THR  51           HB       THR  51  18.815 -22.190  23.510
  375    HG1  THR  51           1HG      THR  51  19.012 -23.587  21.708
  376   1HG2  THR  51          1HG2      THR  51  18.336 -24.560  23.717
  377   2HG2  THR  51          2HG2      THR  51  17.164 -23.637  24.676
  378   3HG2  THR  51          3HG2      THR  51  16.684 -24.330  23.112
  379    H    LYS  52           H        LYS  52  18.642 -19.933  23.921
  380    HA   LYS  52           HA       LYS  52  18.285 -17.623  22.302
  381   1HB   LYS  52          2HB       LYS  52  19.447 -17.644  24.496
  382   2HB   LYS  52          3HB       LYS  52  20.830 -18.468  23.754
  383   1HG   LYS  52          2HG       LYS  52  21.216 -16.566  22.261
  384   2HG   LYS  52          3HG       LYS  52  19.728 -15.777  22.811
  385   1HD   LYS  52          2HD       LYS  52  20.667 -15.592  25.099
  386   2HD   LYS  52          3HD       LYS  52  22.183 -16.322  24.547
  387   1HE   LYS  52          2HE       LYS  52  20.960 -13.769  23.396
  388   2HE   LYS  52          3HE       LYS  52  22.157 -13.779  24.694
  389   1HZ   LYS  52          1HZ       LYS  52  23.746 -14.793  23.203
  390   2HZ   LYS  52          2HZ       LYS  52  22.647 -14.918  21.997
  391   3HZ   LYS  52          3HZ       LYS  52  23.159 -13.450  22.476
  392    H    GLU  53           H        GLU  53  20.771 -20.155  21.885
  393    HA   GLU  53           HA       GLU  53  21.856 -19.135  19.475
  394   1HB   GLU  53          2HB       GLU  53  22.718 -21.357  19.030
  395   2HB   GLU  53          3HB       GLU  53  22.985 -20.853  20.695
  396   1HG   GLU  53          2HG       GLU  53  21.079 -22.281  21.430
  397   2HG   GLU  53          3HG       GLU  53  20.845 -22.815  19.761
  398    H    MET  54           H        MET  54  19.012 -21.288  19.826
  399    HA   MET  54           HA       MET  54  18.439 -21.439  17.012
  400   1HB   MET  54          2HB       MET  54  16.721 -21.895  19.462
  401   2HB   MET  54          3HB       MET  54  16.082 -21.968  17.812
  402   1HG   MET  54          2HG       MET  54  17.935 -23.572  17.228
  403   2HG   MET  54          3HG       MET  54  18.333 -23.674  18.939
  404   1HE   MET  54          1HE       MET  54  15.603 -25.875  20.440
  405   2HE   MET  54          2HE       MET  54  17.288 -25.317  20.527
  406   3HE   MET  54          3HE       MET  54  15.956 -24.152  20.674
  407    H    LEU  55           H        LEU  55  17.304 -19.081  19.484
  408    HA   LEU  55           HA       LEU  55  15.667 -17.534  17.754
  409   1HB   LEU  55          2HB       LEU  55  15.939 -17.417  20.305
  410   2HB   LEU  55          3HB       LEU  55  17.304 -16.343  20.014
  411    HG   LEU  55           HG       LEU  55  14.415 -15.909  19.131
  412   1HD1  LEU  55          1HD1      LEU  55  14.392 -14.138  20.821
  413   2HD1  LEU  55          2HD1      LEU  55  14.840 -15.674  21.564
  414   3HD1  LEU  55          3HD1      LEU  55  16.096 -14.467  21.219
  415   1HD2  LEU  55          1HD2      LEU  55  15.694 -14.716  17.518
  416   2HD2  LEU  55          2HD2      LEU  55  15.134 -13.541  18.683
  417   3HD2  LEU  55          3HD2      LEU  55  16.825 -14.106  18.751
  418    H    VAL  56           H        VAL  56  19.145 -16.895  18.596
  419    HA   VAL  56           HA       VAL  56  19.463 -14.693  16.879
  420    HB   VAL  56           HB       VAL  56  21.658 -16.716  17.480
  421   1HG1  VAL  56          1HG1      VAL  56  21.810 -13.707  16.947
  422   2HG1  VAL  56          2HG1      VAL  56  23.174 -14.796  17.240
  423   3HG1  VAL  56          3HG1      VAL  56  22.234 -14.962  15.758
  424   1HG2  VAL  56          1HG2      VAL  56  20.919 -16.138  19.631
  425   2HG2  VAL  56          2HG2      VAL  56  22.218 -15.006  19.340
  426   3HG2  VAL  56          3HG2      VAL  56  20.517 -14.485  19.164
  427    H    THR  57           H        THR  57  20.088 -18.143  16.152
  428    HA   THR  57           HA       THR  57  20.935 -17.841  13.437
  429    HB   THR  57           HB       THR  57  19.560 -20.245  14.717
  430    HG1  THR  57           1HG      THR  57  21.329 -19.870  15.877
  431   1HG2  THR  57          1HG2      THR  57  20.873 -21.544  13.050
  432   2HG2  THR  57          2HG2      THR  57  19.685 -20.493  12.272
  433   3HG2  THR  57          3HG2      THR  57  21.404 -20.027  12.293
  434    H    SER  58           H        SER  58  17.652 -18.709  14.688
  435    HA   SER  58           HA       SER  58  16.412 -18.734  12.109
  436   1HB   SER  58          2HB       SER  58  14.292 -18.700  13.250
  437   2HB   SER  58          3HB       SER  58  15.397 -19.853  14.003
  438    HG   SER  58           HG       SER  58  15.744 -18.459  15.671
  439    H    CYS  59           H        CYS  59  16.846 -16.088  14.436
  440    HA   CYS  59           HA       CYS  59  15.476 -14.037  13.035
  441   1HB   CYS  59          2HB       CYS  59  16.234 -13.833  15.331
  442   2HB   CYS  59          3HB       CYS  59  17.906 -14.018  14.872
  443    H    VAL  60           H        VAL  60  18.972 -14.915  12.732
  444    HA   VAL  60           HA       VAL  60  19.567 -13.170  10.551
  445    HB   VAL  60           HB       VAL  60  20.722 -15.845  11.364
  446   1HG1  VAL  60          1HG1      VAL  60  22.652 -15.364   9.893
  447   2HG1  VAL  60          2HG1      VAL  60  21.183 -15.719   8.985
  448   3HG1  VAL  60          3HG1      VAL  60  21.736 -14.038   9.151
  449   1HG2  VAL  60          1HG2      VAL  60  21.091 -13.827  12.836
  450   2HG2  VAL  60          2HG2      VAL  60  22.577 -14.508  12.163
  451   3HG2  VAL  60          3HG2      VAL  60  21.880 -13.037  11.448
  452    H    ASN  61           H        ASN  61  18.318 -16.518  10.432
  453    HA   ASN  61           HA       ASN  61  18.093 -16.691   7.576
  454   1HB   ASN  61          2HB       ASN  61  16.771 -18.179   9.868
  455   2HB   ASN  61          3HB       ASN  61  16.311 -18.472   8.197
  456   1HD2  ASN  61          2HD2      ASN  61  19.124 -18.606  10.432
  457   2HD2  ASN  61          1HD2      ASN  61  19.977 -19.779   9.426
  458    H    ALA  62           H        ALA  62  15.641 -15.557   9.983
  459    HA   ALA  62           HA       ALA  62  13.573 -15.010   8.081
  460   1HB   ALA  62          1HB       ALA  62  12.655 -13.631   9.904
  461   2HB   ALA  62          2HB       ALA  62  13.220 -15.196  10.513
  462   3HB   ALA  62          3HB       ALA  62  14.191 -13.733  10.786
  463    H    THR  63           H        THR  63  16.115 -12.947   9.467
  464    HA   THR  63           HA       THR  63  15.605 -10.529   8.132
  465    HB   THR  63           HB       THR  63  18.363 -11.576   8.867
  466    HG1  THR  63           1HG      THR  63  17.061 -11.637  10.659
  467   1HG2  THR  63          1HG2      THR  63  17.251  -8.747   8.665
  468   2HG2  THR  63          2HG2      THR  63  18.885  -9.200   9.184
  469   3HG2  THR  63          3HG2      THR  63  18.382  -9.493   7.511
  470    H    GLN  64           H        GLN  64  17.789 -13.162   7.027
  471    HA   GLN  64           HA       GLN  64  18.541 -12.205   4.532
  472   1HB   GLN  64          2HB       GLN  64  17.968 -14.998   5.538
  473   2HB   GLN  64          3HB       GLN  64  18.516 -14.710   3.883
  474   1HG   GLN  64          2HG       GLN  64  20.553 -13.715   4.601
  475   2HG   GLN  64          3HG       GLN  64  20.019 -13.634   6.286
  476   1HE2  GLN  64          2HE2      GLN  64  22.396 -14.703   6.160
  477   2HE2  GLN  64          1HE2      GLN  64  22.334 -16.463   6.218
  478    H    ALA  65           H        ALA  65  15.680 -14.321   5.090
  479    HA   ALA  65           HA       ALA  65  14.630 -14.186   2.511
  480   1HB   ALA  65          1HB       ALA  65  14.064 -15.883   4.182
  481   2HB   ALA  65          2HB       ALA  65  13.212 -14.666   5.161
  482   3HB   ALA  65          3HB       ALA  65  12.598 -15.109   3.553
  483    H    ALA  66           H        ALA  66  13.958 -12.024   5.262
  484    HA   ALA  66           HA       ALA  66  11.826 -10.558   4.006
  485   1HB   ALA  66          1HB       ALA  66  12.114  -9.042   5.930
  486   2HB   ALA  66          2HB       ALA  66  12.074 -10.746   6.424
  487   3HB   ALA  66          3HB       ALA  66  13.626  -9.881   6.353
  488    H    ASN  67           H        ASN  67  15.343  -9.943   4.112
  489    HA   ASN  67           HA       ASN  67  14.903  -7.390   2.590
  490   1HB   ASN  67          2HB       ASN  67  17.234  -7.973   4.434
  491   2HB   ASN  67          3HB       ASN  67  16.748  -6.431   3.758
  492   1HD2  ASN  67          2HD2      ASN  67  16.135  -8.813   6.200
  493   2HD2  ASN  67          1HD2      ASN  67  15.122  -7.825   7.232
  494    H    GLN  68           H        GLN  68  15.066  -9.762   1.220
  495    HA   GLN  68           HA       GLN  68  17.475 -10.661   0.150
  496   1HB   GLN  68          2HB       GLN  68  14.753 -10.258  -1.136
  497   2HB   GLN  68          3HB       GLN  68  16.078 -11.045  -1.992
  498   1HG   GLN  68          2HG       GLN  68  15.053 -12.031   0.699
  499   2HG   GLN  68          3HG       GLN  68  14.397 -12.569  -0.843
  500   1HE2  GLN  68          2HE2      GLN  68  17.028 -12.952   1.407
  501   2HE2  GLN  68          1HE2      GLN  68  17.870 -14.192   0.465
  502    H    ALA  69           H        ALA  69  15.578  -7.944  -1.184
  503    HA   ALA  69           HA       ALA  69  17.224  -7.213  -3.324
  504   1HB   ALA  69          1HB       ALA  69  14.940  -6.372  -2.950
  505   2HB   ALA  69          2HB       ALA  69  15.500  -5.430  -1.547
  506   3HB   ALA  69          3HB       ALA  69  16.079  -5.032  -3.178
  507    H    GLU  70           H        GLU  70  17.511  -6.169   0.071
  508    HA   GLU  70           HA       GLU  70  19.654  -4.281  -0.284
  509   1HB   GLU  70          2HB       GLU  70  19.092  -5.945   2.204
  510   2HB   GLU  70          3HB       GLU  70  19.991  -4.441   2.100
  511   1HG   GLU  70          2HG       GLU  70  16.995  -4.813   1.658
  512   2HG   GLU  70          3HG       GLU  70  17.769  -4.057   3.039
  513    H    PHE  71           H        PHE  71  19.781  -7.701   0.853
  514    HA   PHE  71           HA       PHE  71  22.606  -7.870   0.855
  515   1HB   PHE  71          2HB       PHE  71  20.593 -10.112   0.502
  516   2HB   PHE  71          3HB       PHE  71  22.283 -10.309   0.959
  517    HD1  PHE  71           HD1      PHE  71  22.947  -8.512   3.020
  518    HD2  PHE  71           HD2      PHE  71  19.119 -10.395   2.329
  519    HE1  PHE  71           HE1      PHE  71  22.333  -8.141   5.383
  520    HE2  PHE  71           HE2      PHE  71  18.505  -9.965   4.680
  521    HZ   PHE  71           HZ       PHE  71  20.098  -8.835   6.210
  522    H    SER  72           H        SER  72  20.446  -8.309  -1.912
  523    HA   SER  72           HA       SER  72  22.418  -9.318  -3.746
  524   1HB   SER  72          2HB       SER  72  19.962  -7.596  -4.244
  525   2HB   SER  72          3HB       SER  72  20.971  -8.306  -5.516
  526    HG   SER  72           HG       SER  72  19.171  -9.636  -5.002
  527    H    ARG  73           H        ARG  73  21.395  -5.916  -3.171
  528    HA   ARG  73           HA       ARG  73  23.400  -4.723  -4.906
  529   1HB   ARG  73          2HB       ARG  73  21.971  -3.513  -2.506
  530   2HB   ARG  73          3HB       ARG  73  22.918  -2.633  -3.710
  531   1HG   ARG  73          2HG       ARG  73  21.199  -3.432  -5.444
  532   2HG   ARG  73          3HG       ARG  73  20.215  -3.953  -4.066
  533   1HD   ARG  73          2HD       ARG  73  21.111  -1.165  -4.829
  534   2HD   ARG  73          3HD       ARG  73  19.463  -1.735  -4.573
  535    HE   ARG  73           HE       ARG  73  21.471  -0.930  -2.528
  536   1HH1  ARG  73          1HH2      ARG  73  18.250  -2.271  -2.883
  537   2HH1  ARG  73          2HH2      ARG  73  17.972  -2.182  -1.150
  538   1HH2  ARG  73          1HH1      ARG  73  21.133  -0.984  -0.480
  539   2HH2  ARG  73          2HH1      ARG  73  19.550  -1.403   0.198
  540    H    GLU  74           H        GLU  74  23.206  -4.927  -1.414
  541    HA   GLU  74           HA       GLU  74  25.711  -3.569  -0.874
  542   1HB   GLU  74          2HB       GLU  74  23.863  -5.091   1.011
  543   2HB   GLU  74          3HB       GLU  74  25.084  -3.924   1.466
  544   1HG   GLU  74          2HG       GLU  74  22.446  -3.399   0.057
  545   2HG   GLU  74          3HG       GLU  74  22.953  -2.865   1.646
  546    H    LYS  75           H        LYS  75  26.330  -5.631  -2.373
  547    HA   LYS  75           HA       LYS  75  28.276  -7.309  -0.917
  548   1HB   LYS  75          2HB       LYS  75  26.134  -8.562  -0.794
  549   2HB   LYS  75          3HB       LYS  75  25.962  -8.494  -2.541
  550   1HG   LYS  75          2HG       LYS  75  28.099  -9.801  -2.769
  551   2HG   LYS  75          3HG       LYS  75  28.173  -9.941  -1.010
  552   1HD   LYS  75          2HD       LYS  75  25.905 -10.968  -2.782
  553   2HD   LYS  75          3HD       LYS  75  27.229 -11.952  -2.143
  554   1HE   LYS  75          2HE       LYS  75  26.514 -11.428   0.176
  555   2HE   LYS  75          3HE       LYS  75  25.174 -10.459  -0.454
  556   1HZ   LYS  75          1HZ       LYS  75  24.289 -12.474  -1.495
  557   2HZ   LYS  75          2HZ       LYS  75  25.532 -13.371  -0.926
  558   3HZ   LYS  75          3HZ       LYS  75  24.461 -12.712   0.112
  559    H    GLN  76           H        GLN  76  26.618  -7.175  -4.059
  560    HA   GLN  76           HA       GLN  76  28.982  -7.456  -5.700
  561   1HB   GLN  76          2HB       GLN  76  26.175  -6.428  -6.320
  562   2HB   GLN  76          3HB       GLN  76  27.421  -6.724  -7.532
  563   1HG   GLN  76          2HG       GLN  76  26.208  -8.840  -5.693
  564   2HG   GLN  76          3HG       GLN  76  25.805  -8.582  -7.385
  565   1HE2  GLN  76          2HE2      GLN  76  27.784 -10.452  -5.332
  566   2HE2  GLN  76          1HE2      GLN  76  28.930 -10.953  -6.569
  567    H    ASP  77           H        ASP  77  26.939  -4.593  -4.905
  568    HA   ASP  77           HA       ASP  77  28.749  -2.698  -6.157
  569   1HB   ASP  77          2HB       ASP  77  26.279  -2.373  -5.880
  570   2HB   ASP  77          3HB       ASP  77  26.529  -2.201  -4.140
  571    H    SER  78           H        SER  78  28.255  -3.847  -2.834
  572    HA   SER  78           HA       SER  78  30.715  -2.386  -1.947
  573   1HB   SER  78          2HB       SER  78  28.584  -1.225  -1.310
  574   2HB   SER  78          3HB       SER  78  28.251  -2.584  -0.228
  575    HG   SER  78           HG       SER  78  29.492  -0.773   0.708
  576    H    LYS  79           H        LYS  79  32.039  -4.057  -1.932
  577    HA   LYS  79           HA       LYS  79  31.696  -6.625  -0.717
  578   1HB   LYS  79          2HB       LYS  79  33.471  -6.012  -2.345
  579   2HB   LYS  79          3HB       LYS  79  34.247  -4.996  -1.122
  580   1HG   LYS  79          2HG       LYS  79  34.626  -6.996   0.302
  581   2HG   LYS  79          3HG       LYS  79  33.796  -8.009  -0.897
  582   1HD   LYS  79          2HD       LYS  79  35.523  -7.426  -2.582
  583   2HD   LYS  79          3HD       LYS  79  36.343  -6.397  -1.387
  584   1HE   LYS  79          2HE       LYS  79  36.672  -8.378   0.082
  585   2HE   LYS  79          3HE       LYS  79  35.863  -9.400  -1.113
  586   1HZ   LYS  79          1HZ       LYS  79  38.389  -7.901  -1.584
  587   2HZ   LYS  79          2HZ       LYS  79  38.278  -9.511  -1.344
  588   3HZ   LYS  79          3HZ       LYS  79  37.641  -8.845  -2.690
  589    H    LEU  80           H        LEU  80  33.013  -3.623   0.599
  590    HA   LEU  80           HA       LEU  80  33.777  -4.441   3.181
  591   1HB   LEU  80          2HB       LEU  80  33.806  -2.069   1.811
  592   2HB   LEU  80          3HB       LEU  80  32.475  -1.747   2.888
  593    HG   LEU  80           HG       LEU  80  34.408  -0.821   3.851
  594   1HD1  LEU  80          1HD1      LEU  80  34.723  -1.861   5.994
  595   2HD1  LEU  80          2HD1      LEU  80  33.024  -2.052   5.530
  596   3HD1  LEU  80          3HD1      LEU  80  34.143  -3.427   5.396
  597   1HD2  LEU  80          1HD2      LEU  80  36.502  -1.965   4.243
  598   2HD2  LEU  80          2HD2      LEU  80  35.849  -3.480   3.584
  599   3HD2  LEU  80          3HD2      LEU  80  36.075  -2.066   2.532
  600    H    HIS  81           H        HIS  81  30.587  -3.262   2.093
  601    HA   HIS  81           HA       HIS  81  29.336  -2.937   4.498
  602   1HB   HIS  81          2HB       HIS  81  28.601  -2.323   2.167
  603   2HB   HIS  81          3HB       HIS  81  27.898  -3.899   2.005
  604    HD1  HIS  81           HD1      HIS  81  25.849  -1.642   1.747
  605    HD2  HIS  81           HD2      HIS  81  27.234  -2.925   5.546
  606    HE1  HIS  81           HE1      HIS  81  24.194  -0.770   3.474
  607    HE2  HIS  81           HE2      HIS  81  25.049  -1.537   5.793
  608    H    GLN  82           H        GLN  82  29.309  -6.028   2.679
  609    HA   GLN  82           HA       GLN  82  27.521  -7.537   4.145
  610   1HB   GLN  82          2HB       GLN  82  30.164  -8.385   2.909
  611   2HB   GLN  82          3HB       GLN  82  29.056  -9.541   3.656
  612   1HG   GLN  82          2HG       GLN  82  28.267  -7.712   1.366
  613   2HG   GLN  82          3HG       GLN  82  28.842  -9.367   1.182
  614   1HE2  GLN  82          2HE2      GLN  82  26.020  -7.492   1.638
  615   2HE2  GLN  82          1HE2      GLN  82  24.963  -8.836   2.104
  616    H    ARG  83           H        ARG  83  31.008  -7.497   5.008
  617    HA   ARG  83           HA       ARG  83  30.823  -9.103   7.346
  618   1HB   ARG  83          2HB       ARG  83  32.779  -6.884   6.600
  619   2HB   ARG  83          3HB       ARG  83  32.951  -7.886   8.047
  620   1HG   ARG  83          2HG       ARG  83  32.996  -9.932   6.664
  621   2HG   ARG  83          3HG       ARG  83  32.875  -8.964   5.189
  622   1HD   ARG  83          2HD       ARG  83  35.106  -8.679   7.245
  623   2HD   ARG  83          3HD       ARG  83  35.207  -9.737   5.836
  624    HE   ARG  83           HE       ARG  83  34.723  -7.559   4.489
  625   1HH1  ARG  83          1HH2      ARG  83  36.822  -7.559   7.361
  626   2HH1  ARG  83          2HH2      ARG  83  37.757  -6.237   6.642
  627   1HH2  ARG  83          1HH1      ARG  83  36.119  -5.949   3.767
  628   2HH2  ARG  83          2HH1      ARG  83  37.399  -5.447   4.878
  629    H    VAL  84           H        VAL  84  30.716  -5.601   7.154
  630    HA   VAL  84           HA       VAL  84  30.280  -5.025   9.923
  631    HB   VAL  84           HB       VAL  84  29.247  -3.298   7.649
  632   1HG1  VAL  84          1HG1      VAL  84  28.771  -2.619  10.032
  633   2HG1  VAL  84          2HG1      VAL  84  30.523  -2.573  10.312
  634   3HG1  VAL  84          3HG1      VAL  84  29.793  -1.467   9.145
  635   1HG2  VAL  84          1HG2      VAL  84  31.497  -3.802   6.957
  636   2HG2  VAL  84          2HG2      VAL  84  31.518  -2.206   7.688
  637   3HG2  VAL  84          3HG2      VAL  84  32.107  -3.616   8.609
  638    H    LEU  85           H        LEU  85  27.938  -5.192   7.232
  639    HA   LEU  85           HA       LEU  85  25.573  -4.785   8.685
  640   1HB   LEU  85          2HB       LEU  85  25.884  -4.645   6.232
  641   2HB   LEU  85          3HB       LEU  85  26.021  -6.395   6.139
  642    HG   LEU  85           HG       LEU  85  23.677  -6.634   6.846
  643   1HD1  LEU  85          1HD1      LEU  85  23.646  -3.579   6.898
  644   2HD1  LEU  85          2HD1      LEU  85  22.207  -4.620   6.961
  645   3HD1  LEU  85          3HD1      LEU  85  23.371  -4.667   8.285
  646   1HD2  LEU  85          1HD2      LEU  85  24.228  -6.345   4.446
  647   2HD2  LEU  85          2HD2      LEU  85  22.647  -5.642   4.826
  648   3HD2  LEU  85          3HD2      LEU  85  24.057  -4.584   4.611
  649    H    TRP  86           H        TRP  86  27.020  -7.967   7.788
  650    HA   TRP  86           HA       TRP  86  25.108  -9.539   9.203
  651   1HB   TRP  86          2HB       TRP  86  27.956 -10.117   8.343
  652   2HB   TRP  86          3HB       TRP  86  26.946 -11.304   9.173
  653    HD1  TRP  86           HD1      TRP  86  27.826 -10.461   5.797
  654    HE1  TRP  86           HE1      TRP  86  26.022 -10.985   4.064
  655    HE3  TRP  86           HE3      TRP  86  23.986 -11.551   9.003
  656    HZ2  TRP  86           HZ2      TRP  86  23.147 -11.522   4.092
  657    HZ3  TRP  86           HZ3      TRP  86  21.714 -12.020   8.146
  658    HH2  TRP  86           HH2      TRP  86  21.267 -11.862   5.684
  659    H    ARG  87           H        ARG  87  28.206  -8.185  10.380
  660    HA   ARG  87           HA       ARG  87  28.007  -9.287  13.033
  661   1HB   ARG  87          2HB       ARG  87  30.083  -8.315  12.261
  662   2HB   ARG  87          3HB       ARG  87  29.312  -6.761  11.980
  663   1HG   ARG  87          2HG       ARG  87  30.640  -6.657  13.992
  664   2HG   ARG  87          3HG       ARG  87  28.945  -6.468  14.414
  665   1HD   ARG  87          2HD       ARG  87  28.882  -8.895  15.085
  666   2HD   ARG  87          3HD       ARG  87  30.609  -9.015  14.732
  667    HE   ARG  87           HE       ARG  87  29.350  -7.839  17.098
  668   1HH1  ARG  87          1HH1      ARG  87  32.343  -7.615  15.264
  669   2HH1  ARG  87          2HH1      ARG  87  33.043  -6.585  16.501
  670   1HH2  ARG  87          1HH2      ARG  87  30.324  -6.854  18.588
  671   2HH2  ARG  87          2HH2      ARG  87  32.010  -6.321  18.448
  672    H    LEU  88           H        LEU  88  26.791  -6.170  11.760
  673    HA   LEU  88           HA       LEU  88  25.537  -5.293  14.149
  674   1HB   LEU  88          2HB       LEU  88  25.969  -4.142  11.779
  675   2HB   LEU  88          3HB       LEU  88  24.316  -4.640  11.467
  676    HG   LEU  88           HG       LEU  88  25.299  -2.893  13.779
  677   1HD1  LEU  88          1HD1      LEU  88  24.116  -1.097  12.605
  678   2HD1  LEU  88          2HD1      LEU  88  25.352  -1.813  11.557
  679   3HD1  LEU  88          3HD1      LEU  88  23.632  -2.243  11.340
  680   1HD2  LEU  88          1HD2      LEU  88  22.502  -3.823  13.032
  681   2HD2  LEU  88          2HD2      LEU  88  23.332  -3.984  14.605
  682   3HD2  LEU  88          3HD2      LEU  88  22.800  -2.406  14.043
  683    H    ILE  89           H        ILE  89  24.035  -7.069  11.416
  684    HA   ILE  89           HA       ILE  89  21.479  -7.566  12.519
  685    HB   ILE  89           HB       ILE  89  23.178  -9.231  10.635
  686   1HG1  ILE  89          2HG1      ILE  89  20.669  -7.580  10.069
  687   2HG1  ILE  89          3HG1      ILE  89  22.283  -6.906   9.945
  688   1HG2  ILE  89          1HG2      ILE  89  21.105 -10.503  10.081
  689   2HG2  ILE  89          2HG2      ILE  89  21.585 -10.764  11.744
  690   3HG2  ILE  89          3HG2      ILE  89  20.245  -9.663  11.384
  691   1HD1  ILE  89          1HD1      ILE  89  22.871  -8.636   8.238
  692   2HD1  ILE  89          2HD1      ILE  89  21.185  -9.206   8.282
  693   3HD1  ILE  89          3HD1      ILE  89  21.548  -7.558   7.753
  694    H    LYS  90           H        LYS  90  24.432  -9.594  12.890
  695    HA   LYS  90           HA       LYS  90  23.261 -11.454  14.700
  696   1HB   LYS  90          2HB       LYS  90  25.390 -11.786  13.428
  697   2HB   LYS  90          3HB       LYS  90  26.195 -10.647  14.522
  698   1HG   LYS  90          2HG       LYS  90  25.709 -12.136  16.441
  699   2HG   LYS  90          3HG       LYS  90  24.826 -13.242  15.370
  700   1HD   LYS  90          2HD       LYS  90  26.910 -13.655  14.084
  701   2HD   LYS  90          3HD       LYS  90  27.791 -12.543  15.157
  702   1HE   LYS  90          2HE       LYS  90  27.225 -13.983  17.104
  703   2HE   LYS  90          3HE       LYS  90  26.350 -15.088  16.036
  704   1HZ   LYS  90          1HZ       LYS  90  28.453 -15.528  14.877
  705   2HZ   LYS  90          2HZ       LYS  90  29.262 -14.507  15.866
  706   3HZ   LYS  90          3HZ       LYS  90  28.607 -15.876  16.463
  707    H    GLU  91           H        GLU  91  25.073  -8.441  15.522
  708    HA   GLU  91           HA       GLU  91  24.825  -8.650  18.350
  709   1HB   GLU  91          2HB       GLU  91  24.809  -6.208  16.544
  710   2HB   GLU  91          3HB       GLU  91  24.818  -6.099  18.291
  711   1HG   GLU  91          2HG       GLU  91  26.966  -7.541  16.678
  712   2HG   GLU  91          3HG       GLU  91  27.052  -5.852  17.148
  713    H    ILE  92           H        ILE  92  22.483  -7.167  16.056
  714    HA   ILE  92           HA       ILE  92  20.433  -6.624  17.984
  715    HB   ILE  92           HB       ILE  92  20.255  -7.124  14.990
  716   1HG1  ILE  92          2HG1      ILE  92  20.012  -4.577  16.652
  717   2HG1  ILE  92          3HG1      ILE  92  21.495  -5.085  15.858
  718   1HG2  ILE  92          1HG2      ILE  92  17.942  -6.117  15.195
  719   2HG2  ILE  92          2HG2      ILE  92  18.058  -7.702  15.927
  720   3HG2  ILE  92          3HG2      ILE  92  18.077  -6.246  16.954
  721   1HD1  ILE  92          1HD1      ILE  92  20.364  -4.959  13.640
  722   2HD1  ILE  92          2HD1      ILE  92  18.921  -4.302  14.445
  723   3HD1  ILE  92          3HD1      ILE  92  20.431  -3.403  14.500
  724    H    CYS  93           H        CYS  93  20.748  -9.491  15.826
  725    HA   CYS  93           HA       CYS  93  18.522 -10.912  16.854
  726   1HB   CYS  93          2HB       CYS  93  21.053 -11.797  15.452
  727   2HB   CYS  93          3HB       CYS  93  19.761 -12.908  15.865
  728    H    SER  94           H        SER  94  21.907 -10.956  17.980
  729    HA   SER  94           HA       SER  94  21.632 -12.896  20.072
  730   1HB   SER  94          2HB       SER  94  23.777 -12.128  19.071
  731   2HB   SER  94          3HB       SER  94  23.577 -10.578  19.914
  732    HG   SER  94           HG       SER  94  24.858 -12.051  21.113
  733    H    ALA  95           H        ALA  95  21.187  -9.361  20.097
  734    HA   ALA  95           HA       ALA  95  20.828  -9.042  22.896
  735   1HB   ALA  95          1HB       ALA  95  19.571  -7.408  20.655
  736   2HB   ALA  95          2HB       ALA  95  19.791  -6.910  22.340
  737   3HB   ALA  95          3HB       ALA  95  21.209  -7.183  21.311
  738    H    LYS  96           H        LYS  96  18.498 -10.099  20.455
  739    HA   LYS  96           HA       LYS  96  16.065  -9.868  21.899
  740   1HB   LYS  96          2HB       LYS  96  16.737 -12.143  19.998
  741   2HB   LYS  96          3HB       LYS  96  15.140 -11.500  20.397
  742   1HG   LYS  96          2HG       LYS  96  16.006  -9.265  19.406
  743   2HG   LYS  96          3HG       LYS  96  17.344 -10.245  18.754
  744   1HD   LYS  96          2HD       LYS  96  15.941 -11.516  17.370
  745   2HD   LYS  96          3HD       LYS  96  14.457 -10.923  18.134
  746   1HE   LYS  96          2HE       LYS  96  16.408  -8.982  16.840
  747   2HE   LYS  96          3HE       LYS  96  15.293  -9.886  15.828
  748   1HZ   LYS  96          1HZ       LYS  96  14.521  -8.034  18.021
  749   2HZ   LYS  96          2HZ       LYS  96  14.256  -7.813  16.419
  750   3HZ   LYS  96          3HZ       LYS  96  13.452  -8.982  17.228
  751    H    HIS  97           H        HIS  97  15.163 -10.905  23.555
  752    HA   HIS  97           HA       HIS  97  16.097 -13.584  24.403
  753   1HB   HIS  97          2HB       HIS  97  15.757 -11.172  26.249
  754   2HB   HIS  97          3HB       HIS  97  15.711 -12.815  26.813
  755    HD1  HIS  97           HD1      HIS  97  18.371 -10.836  24.688
  756    HD2  HIS  97           HD2      HIS  97  17.772 -13.347  28.012
  757    HE1  HIS  97           HE1      HIS  97  20.701 -11.260  25.682
  758    HE2  HIS  97           HE2      HIS  97  20.357 -12.800  27.726
  759    H    CYS  98           H        CYS  98  14.593 -14.846  25.537
  760    HA   CYS  98           HA       CYS  98  11.726 -14.023  25.255
  761   1HB   CYS  98          2HB       CYS  98  12.835 -16.832  25.456
  762   2HB   CYS  98          3HB       CYS  98  11.177 -16.351  25.140
  763    H    ASP  99           H        ASP  99  10.517 -13.870  27.046
  764    HA   ASP  99           HA       ASP  99  11.599 -13.730  29.637
  765   1HB   ASP  99          2HB       ASP  99   9.558 -12.585  28.851
  766   2HB   ASP  99          3HB       ASP  99   8.707 -14.129  28.781
  767    H    PHE 100           H        PHE 100   9.927 -16.449  28.108
  768    HA   PHE 100           HA       PHE 100   9.622 -18.076  30.449
  769   1HB   PHE 100          2HB       PHE 100   9.063 -19.859  28.803
  770   2HB   PHE 100          3HB       PHE 100   8.150 -18.378  28.638
  771    HD1  PHE 100           HD1      PHE 100   7.770 -17.586  26.476
  772    HD2  PHE 100           HD2      PHE 100  11.303 -19.946  27.222
  773    HE1  PHE 100           HE1      PHE 100   8.309 -17.541  24.077
  774    HE2  PHE 100           HE2      PHE 100  11.852 -19.884  24.809
  775    HZ   PHE 100           HZ       PHE 100  10.384 -18.692  23.227
  776    H    TRP 101           H        TRP 101  12.559 -17.453  28.787
  777    HA   TRP 101           HA       TRP 101  13.753 -20.039  28.791
  778   1HB   TRP 101          2HB       TRP 101  14.948 -17.261  28.932
  779   2HB   TRP 101          3HB       TRP 101  15.932 -18.713  28.917
  780    HD1  TRP 101           HD1      TRP 101  13.795 -20.098  26.650
  781    HE1  TRP 101           HE1      TRP 101  14.337 -19.605  24.238
  782    HE3  TRP 101           HE3      TRP 101  16.760 -15.964  27.332
  783    HZ2  TRP 101           HZ2      TRP 101  15.762 -17.593  22.730
  784    HZ3  TRP 101           HZ3      TRP 101  17.779 -14.837  25.348
  785    HH2  TRP 101           HH2      TRP 101  17.257 -15.610  23.062
  786    H    LEU 102           H        LEU 102  14.219 -21.357  30.270
  787    HA   LEU 102           HA       LEU 102  14.184 -20.698  33.117
  788   1HB   LEU 102          2HB       LEU 102  14.753 -23.347  31.728
  789   2HB   LEU 102          3HB       LEU 102  14.309 -23.115  33.417
  790    HG   LEU 102           HG       LEU 102  12.498 -22.544  31.015
  791   1HD1  LEU 102          1HD1      LEU 102  11.261 -24.517  31.691
  792   2HD1  LEU 102          2HD1      LEU 102  12.938 -24.938  31.325
  793   3HD1  LEU 102          3HD1      LEU 102  12.408 -24.821  33.021
  794   1HD2  LEU 102          1HD2      LEU 102  10.688 -22.373  32.681
  795   2HD2  LEU 102          2HD2      LEU 102  11.871 -22.541  34.001
  796   3HD2  LEU 102          3HD2      LEU 102  11.901 -21.117  32.931
  797    H    GLU 103           H        GLU 103  15.850 -21.102  34.589
  798    HA   GLU 103           HA       GLU 103  18.578 -20.537  33.706
  799   1HB   GLU 103          2HB       GLU 103  17.459 -21.340  36.425
  800   2HB   GLU 103          3HB       GLU 103  19.148 -20.915  36.114
  801   1HG   GLU 103          2HG       GLU 103  18.427 -18.677  35.284
  802   2HG   GLU 103          3HG       GLU 103  16.753 -19.080  35.673
  803    H    ARG 104           H        ARG 104  17.101 -23.356  35.244
  804    HA   ARG 104           HA       ARG 104  18.795 -25.260  33.717
  805   1HB   ARG 104          2HB       ARG 104  18.657 -25.254  36.771
  806   2HB   ARG 104          3HB       ARG 104  19.269 -26.593  35.807
  807   1HG   ARG 104          2HG       ARG 104  20.492 -23.801  35.907
  808   2HG   ARG 104          3HG       ARG 104  21.060 -25.218  36.783
  809   1HD   ARG 104          2HD       ARG 104  21.493 -26.399  34.652
  810   2HD   ARG 104          3HD       ARG 104  20.970 -24.986  33.740
  811    HE   ARG 104           HE       ARG 104  23.503 -25.348  35.190
  812   1HH1  ARG 104          1HH2      ARG 104  21.465 -22.908  33.675
  813   2HH1  ARG 104          2HH2      ARG 104  22.819 -21.823  33.466
  814   1HH2  ARG 104          1HH1      ARG 104  25.135 -23.909  34.908
  815   2HH2  ARG 104          2HH1      ARG 104  24.822 -22.369  34.156
  816    H    GLY 105           H        GLY 105  16.414 -25.204  36.360
  817   1HA   GLY 105          2HA       GLY 105  14.231 -26.280  34.867
  818   2HA   GLY 105          3HA       GLY 105  15.026 -27.584  35.764
  819    H    ALA 106           H        ALA 106  12.888 -27.700  36.819
  820    HA   ALA 106           HA       ALA 106  11.888 -25.668  38.585
  821   1HB   ALA 106          1HB       ALA 106  10.512 -27.505  37.675
  822   2HB   ALA 106          2HB       ALA 106  11.474 -28.692  38.589
  823   3HB   ALA 106          3HB       ALA 106  10.475 -27.500  39.447
  824    H    ALA 107           H        ALA 107  11.896 -25.569  40.842
  825    HA   ALA 107           HA       ALA 107  13.885 -27.071  42.436
  826   1HB   ALA 107          1HB       ALA 107  15.112 -25.101  41.583
  827   2HB   ALA 107          2HB       ALA 107  13.845 -24.026  42.218
  828   3HB   ALA 107          3HB       ALA 107  14.845 -24.979  43.332
  Start of MODEL   14
    1   1H    ARG   1          H1        ARG   1  -1.776   1.605   2.405
    2   2H    ARG   1          H2        ARG   1  -1.208   3.131   2.310
    3   3H    ARG   1          H3        ARG   1  -2.018   2.484   1.044
    4    HA   ARG   1           HA       ARG   1   0.595   1.570   2.064
    5   1HB   ARG   1          2HB       ARG   1  -1.022   0.564  -0.315
    6   2HB   ARG   1          3HB       ARG   1   0.695   0.216  -0.058
    7   1HG   ARG   1          2HG       ARG   1   0.186  -0.895   2.087
    8   2HG   ARG   1          3HG       ARG   1  -1.532  -0.524   1.889
    9   1HD   ARG   1          2HD       ARG   1  -1.205  -2.811   1.241
   10   2HD   ARG   1          3HD       ARG   1  -1.596  -1.871  -0.191
   11    HE   ARG   1           HE       ARG   1   0.523  -2.276  -1.073
   12   1HH1  ARG   1          1HH2      ARG   1   0.571  -3.442   2.232
   13   2HH1  ARG   1          2HH2      ARG   1   2.084  -4.278   1.992
   14   1HH2  ARG   1          1HH1      ARG   1   2.423  -3.339  -1.297
   15   2HH2  ARG   1          2HH1      ARG   1   3.094  -4.217   0.050
   16    H    VAL   2           H        VAL   2  -0.057   2.186  -1.343
   17    HA   VAL   2           HA       VAL   2   1.983   4.255  -1.484
   18    HB   VAL   2           HB       VAL   2   1.564   2.694  -3.320
   19   1HG1  VAL   2          1HG1      VAL   2  -0.290   2.925  -4.866
   20   2HG1  VAL   2          2HG1      VAL   2  -0.924   2.548  -3.261
   21   3HG1  VAL   2          3HG1      VAL   2  -1.018   4.209  -3.887
   22   1HG2  VAL   2          1HG2      VAL   2   1.073   5.571  -4.186
   23   2HG2  VAL   2          2HG2      VAL   2   2.653   4.881  -3.737
   24   3HG2  VAL   2          3HG2      VAL   2   1.780   4.261  -5.146
   25    H    ALA   3           H        ALA   3   1.778   6.455  -1.602
   26    HA   ALA   3           HA       ALA   3  -0.773   7.703  -0.804
   27   1HB   ALA   3          1HB       ALA   3   1.984   8.867  -1.390
   28   2HB   ALA   3          2HB       ALA   3   0.578   9.779  -0.809
   29   3HB   ALA   3          3HB       ALA   3   1.295   8.511   0.213
   30    H    GLU   4           H        GLU   4  -2.275   8.065  -2.322
   31    HA   GLU   4           HA       GLU   4  -1.705   8.563  -5.160
   32   1HB   GLU   4          2HB       GLU   4  -4.224   8.943  -3.479
   33   2HB   GLU   4          3HB       GLU   4  -4.120   9.208  -5.225
   34   1HG   GLU   4          2HG       GLU   4  -3.411   6.833  -5.533
   35   2HG   GLU   4          3HG       GLU   4  -3.611   6.558  -3.802
   36    H    ASN   5           H        ASN   5  -1.199  10.498  -6.058
   37    HA   ASN   5           HA       ASN   5  -0.626  12.783  -4.390
   38   1HB   ASN   5          2HB       ASN   5   0.764  12.045  -6.307
   39   2HB   ASN   5          3HB       ASN   5  -0.534  12.498  -7.420
   40   1HD2  ASN   5          2HD2      ASN   5  -0.081  14.479  -8.371
   41   2HD2  ASN   5          1HD2      ASN   5   0.649  15.820  -7.494
   42    H    ARG   6           H        ARG   6  -2.833  12.865  -3.613
   43    HA   ARG   6           HA       ARG   6  -4.949  14.237  -5.088
   44   1HB   ARG   6          2HB       ARG   6  -6.138  14.100  -2.939
   45   2HB   ARG   6          3HB       ARG   6  -5.375  12.567  -3.346
   46   1HG   ARG   6          2HG       ARG   6  -3.374  13.706  -1.851
   47   2HG   ARG   6          3HG       ARG   6  -4.776  14.487  -1.133
   48   1HD   ARG   6          2HD       ARG   6  -5.747  12.297  -0.610
   49   2HD   ARG   6          3HD       ARG   6  -4.451  11.465  -1.484
   50    HE   ARG   6           HE       ARG   6  -4.341  12.579   1.214
   51   1HH1  ARG   6          1HH2      ARG   6  -2.201  11.518  -1.398
   52   2HH1  ARG   6          2HH2      ARG   6  -0.852  11.484  -0.292
   53   1HH2  ARG   6          1HH1      ARG   6  -2.637  12.491   2.444
   54   2HH2  ARG   6          2HH1      ARG   6  -1.079  11.994   1.832
   55    HA   PRO   7           HA       PRO   7  -3.719  18.463  -4.241
   56   1HB   PRO   7          2HB       PRO   7  -6.131  19.758  -3.918
   57   2HB   PRO   7          3HB       PRO   7  -5.460  19.249  -5.497
   58   1HG   PRO   7          2HG       PRO   7  -7.498  17.804  -3.782
   59   2HG   PRO   7          3HG       PRO   7  -7.552  18.113  -5.546
   60   1HD   PRO   7          2HD       PRO   7  -6.733  15.728  -4.536
   61   2HD   PRO   7          3HD       PRO   7  -5.948  16.430  -5.981
   62    H    GLY   8           H        GLY   8  -2.778  18.997  -2.421
   63   1HA   GLY   8          2HA       GLY   8  -2.892  19.787  -0.089
   64   2HA   GLY   8          3HA       GLY   8  -4.030  18.484   0.246
   65    H    ALA   9           H        ALA   9  -1.969  16.911  -1.789
   66    HA   ALA   9           HA       ALA   9  -0.706  15.443   0.304
   67   1HB   ALA   9          1HB       ALA   9  -0.089  15.586  -2.678
   68   2HB   ALA   9          2HB       ALA   9   0.542  14.364  -1.557
   69   3HB   ALA   9          3HB       ALA   9  -1.196  14.455  -1.874
   70    H    PHE  10           H        PHE  10   1.157  15.696   1.393
   71    HA   PHE  10           HA       PHE  10   2.859  18.001   1.184
   72   1HB   PHE  10          2HB       PHE  10   3.449  15.264   2.371
   73   2HB   PHE  10          3HB       PHE  10   4.362  16.710   2.669
   74    HD1  PHE  10           HD1      PHE  10   2.481  14.589   4.373
   75    HD2  PHE  10           HD2      PHE  10   2.356  18.778   3.329
   76    HE1  PHE  10           HE1      PHE  10   1.215  15.071   6.445
   77    HE2  PHE  10           HE2      PHE  10   1.089  19.249   5.405
   78    HZ   PHE  10           HZ       PHE  10   0.530  17.391   6.974
   79    H    ILE  11           H        ILE  11   4.973  18.231   0.415
   80    HA   ILE  11           HA       ILE  11   6.129  16.049  -1.261
   81    HB   ILE  11           HB       ILE  11   6.396  19.030  -1.741
   82   1HG1  ILE  11          2HG1      ILE  11   5.013  16.941  -3.485
   83   2HG1  ILE  11          3HG1      ILE  11   4.160  18.055  -2.422
   84   1HG2  ILE  11          1HG2      ILE  11   7.718  18.364  -3.716
   85   2HG2  ILE  11          2HG2      ILE  11   8.454  17.748  -2.249
   86   3HG2  ILE  11          3HG2      ILE  11   7.517  16.651  -3.288
   87   1HD1  ILE  11          1HD1      ILE  11   5.833  18.857  -4.828
   88   2HD1  ILE  11          2HD1      ILE  11   4.078  18.930  -4.665
   89   3HD1  ILE  11          3HD1      ILE  11   5.094  19.993  -3.673
   90    H    LYS  12           H        LYS  12   7.711  15.235  -0.241
   91    HA   LYS  12           HA       LYS  12   9.367  16.778   1.741
   92   1HB   LYS  12          2HB       LYS  12   8.385  13.899   1.827
   93   2HB   LYS  12          3HB       LYS  12   9.659  14.542   2.878
   94   1HG   LYS  12          2HG       LYS  12   8.139  16.264   3.728
   95   2HG   LYS  12          3HG       LYS  12   6.811  15.637   2.743
   96   1HD   LYS  12          2HD       LYS  12   8.275  14.095   4.935
   97   2HD   LYS  12          3HD       LYS  12   6.738  14.948   5.141
   98   1HE   LYS  12          2HE       LYS  12   5.695  13.509   3.401
   99   2HE   LYS  12          3HE       LYS  12   7.219  12.631   3.215
  100   1HZ   LYS  12          1HZ       LYS  12   5.709  11.468   4.722
  101   2HZ   LYS  12          2HZ       LYS  12   7.036  11.941   5.544
  102   3HZ   LYS  12          3HZ       LYS  12   5.630  12.753   5.726
  103    H    GLN  13           H        GLN  13  10.791  17.411   0.275
  104    HA   GLN  13           HA       GLN  13  12.503  15.582  -1.293
  105   1HB   GLN  13          2HB       GLN  13  12.484  18.586  -0.755
  106   2HB   GLN  13          3HB       GLN  13  13.731  17.769  -1.714
  107   1HG   GLN  13          2HG       GLN  13  11.973  16.947  -3.274
  108   2HG   GLN  13          3HG       GLN  13  10.747  17.809  -2.338
  109   1HE2  GLN  13          2HE2      GLN  13  11.290  20.289  -2.005
  110   2HE2  GLN  13          1HE2      GLN  13  11.866  21.075  -3.487
  111    H    GLY  14           H        GLY  14  12.451  17.256   1.784
  112   1HA   GLY  14          2HA       GLY  14  13.760  16.779   3.737
  113   2HA   GLY  14          3HA       GLY  14  14.906  15.871   2.747
  114    H    ARG  15           H        ARG  15  13.556  19.131   2.953
  115    HA   ARG  15           HA       ARG  15  16.206  20.431   2.401
  116   1HB   ARG  15          2HB       ARG  15  14.773  20.312   0.435
  117   2HB   ARG  15          3HB       ARG  15  13.423  21.013   1.328
  118   1HG   ARG  15          2HG       ARG  15  14.581  23.162   1.506
  119   2HG   ARG  15          3HG       ARG  15  16.052  22.463   0.805
  120   1HD   ARG  15          2HD       ARG  15  14.836  23.741  -0.891
  121   2HD   ARG  15          3HD       ARG  15  14.881  22.031  -1.307
  122    HE   ARG  15           HE       ARG  15  12.541  21.799  -0.667
  123   1HH1  ARG  15          2HH2      ARG  15  13.456  25.192  -0.826
  124   2HH1  ARG  15          1HH2      ARG  15  11.786  25.674  -0.981
  125   1HH2  ARG  15          2HH1      ARG  15  10.601  22.442  -0.794
  126   2HH2  ARG  15          1HH1      ARG  15  10.157  24.137  -0.918
  127    H    LYS  16           H        LYS  16  16.798  21.310   4.226
  128    HA   LYS  16           HA       LYS  16  15.067  22.223   6.350
  129   1HB   LYS  16          2HB       LYS  16  17.445  21.273   6.475
  130   2HB   LYS  16          3HB       LYS  16  18.025  22.868   5.999
  131   1HG   LYS  16          2HG       LYS  16  16.909  23.840   8.016
  132   2HG   LYS  16          3HG       LYS  16  16.293  22.239   8.436
  133   1HD   LYS  16          2HD       LYS  16  18.705  21.429   8.513
  134   2HD   LYS  16          3HD       LYS  16  19.214  23.117   8.318
  135   1HE   LYS  16          2HE       LYS  16  17.976  23.720  10.389
  136   2HE   LYS  16          3HE       LYS  16  17.430  22.043  10.547
  137   1HZ   LYS  16          1HZ       LYS  16  20.250  22.963  10.721
  138   2HZ   LYS  16          2HZ       LYS  16  19.339  22.376  11.949
  139   3HZ   LYS  16          3HZ       LYS  16  19.797  21.393  10.738
  140    H    LEU  17           H        LEU  17  13.774  23.877   6.034
  141    HA   LEU  17           HA       LEU  17  14.315  26.144   4.297
  142   1HB   LEU  17          2HB       LEU  17  12.087  25.651   6.318
  143   2HB   LEU  17          3HB       LEU  17  12.082  26.910   5.093
  144    HG   LEU  17           HG       LEU  17  12.006  23.915   4.534
  145   1HD1  LEU  17          1HD1      LEU  17   9.903  26.096   4.242
  146   2HD1  LEU  17          2HD1      LEU  17   9.716  24.385   3.804
  147   3HD1  LEU  17          3HD1      LEU  17   9.945  24.843   5.502
  148   1HD2  LEU  17          1HD2      LEU  17  11.866  26.294   2.627
  149   2HD2  LEU  17          2HD2      LEU  17  13.144  25.056   2.683
  150   3HD2  LEU  17          3HD2      LEU  17  11.509  24.607   2.196
  151    H    ASP  18           H        ASP  18  13.747  28.377   5.110
  152    HA   ASP  18           HA       ASP  18  14.890  29.032   7.790
  153   1HB   ASP  18          2HB       ASP  18  16.583  29.551   6.123
  154   2HB   ASP  18          3HB       ASP  18  15.418  30.476   5.173
  155    H    ILE  19           H        ILE  19  12.960  29.202   8.740
  156    HA   ILE  19           HA       ILE  19  11.126  31.445   8.025
  157    HB   ILE  19           HB       ILE  19  10.387  28.588   8.779
  158   1HG1  ILE  19          2HG1      ILE  19   9.417  30.303   6.448
  159   2HG1  ILE  19          3HG1      ILE  19  10.751  29.156   6.333
  160   1HG2  ILE  19          1HG2      ILE  19   8.567  31.044   8.763
  161   2HG2  ILE  19          2HG2      ILE  19   8.010  29.367   8.920
  162   3HG2  ILE  19          3HG2      ILE  19   9.002  30.054  10.181
  163   1HD1  ILE  19          1HD1      ILE  19   8.774  28.107   5.464
  164   2HD1  ILE  19          2HD1      ILE  19   9.244  27.299   6.972
  165   3HD1  ILE  19          3HD1      ILE  19   7.866  28.427   6.946
  166    H    ASP  20           H        ASP  20  10.668  32.719   9.751
  167    HA   ASP  20           HA       ASP  20  11.668  31.941  12.438
  168   1HB   ASP  20          2HB       ASP  20  12.102  34.230  11.671
  169   2HB   ASP  20          3HB       ASP  20  10.366  34.521  11.511
  170    H    PHE  21           H        PHE  21  10.426  30.453  13.265
  171    HA   PHE  21           HA       PHE  21   7.475  30.501  13.362
  172   1HB   PHE  21          2HB       PHE  21   9.514  28.739  14.782
  173   2HB   PHE  21          3HB       PHE  21   7.789  28.446  14.662
  174    HD1  PHE  21           HD1      PHE  21  11.032  28.087  12.986
  175    HD2  PHE  21           HD2      PHE  21   6.773  27.802  12.478
  176    HE1  PHE  21           HE1      PHE  21  11.369  26.730  10.942
  177    HE2  PHE  21           HE2      PHE  21   7.106  26.500  10.397
  178    HZ   PHE  21           HZ       PHE  21   9.406  25.905   9.654
  179    H    GLY  22           H        GLY  22  10.232  31.321  15.266
  180   1HA   GLY  22          2HA       GLY  22  10.000  33.016  17.151
  181   2HA   GLY  22          3HA       GLY  22   8.675  31.996  17.750
  182    H    ALA  23           H        ALA  23  11.115  32.568  19.210
  183    HA   ALA  23           HA       ALA  23  13.326  31.079  18.956
  184   1HB   ALA  23          1HB       ALA  23  12.986  32.774  20.677
  185   2HB   ALA  23          2HB       ALA  23  11.928  31.674  21.591
  186   3HB   ALA  23          3HB       ALA  23  13.652  31.293  21.388
  187    H    GLU  24           H        GLU  24  10.607  29.738  20.856
  188    HA   GLU  24           HA       GLU  24  11.785  27.180  21.399
  189   1HB   GLU  24          2HB       GLU  24   9.887  28.254  22.621
  190   2HB   GLU  24          3HB       GLU  24   8.841  27.945  21.230
  191   1HG   GLU  24          2HG       GLU  24   9.187  25.505  21.522
  192   2HG   GLU  24          3HG       GLU  24  10.299  25.815  22.857
  193    H    GLY  25           H        GLY  25   9.600  28.232  18.812
  194   1HA   GLY  25          2HA       GLY  25   9.254  25.652  17.549
  195   2HA   GLY  25          3HA       GLY  25   8.831  27.223  16.869
  196    H    ASN  26           H        ASN  26  11.383  28.399  16.893
  197    HA   ASN  26           HA       ASN  26  12.667  27.539  14.501
  198   1HB   ASN  26          2HB       ASN  26  13.716  29.215  16.834
  199   2HB   ASN  26          3HB       ASN  26  14.541  29.022  15.287
  200   1HD2  ASN  26          2HD2      ASN  26  13.872  31.592  16.235
  201   2HD2  ASN  26          1HD2      ASN  26  12.612  32.210  15.159
  202    H    ARG  27           H        ARG  27  13.496  26.963  17.898
  203    HA   ARG  27           HA       ARG  27  15.812  25.262  17.453
  204   1HB   ARG  27          2HB       ARG  27  13.927  25.610  19.822
  205   2HB   ARG  27          3HB       ARG  27  15.321  24.522  19.846
  206   1HG   ARG  27          2HG       ARG  27  16.864  26.359  19.445
  207   2HG   ARG  27          3HG       ARG  27  15.533  27.506  19.248
  208   1HD   ARG  27          2HD       ARG  27  14.815  27.111  21.575
  209   2HD   ARG  27          3HD       ARG  27  16.122  25.951  21.808
  210    HE   ARG  27           HE       ARG  27  16.306  28.889  21.732
  211   1HH1  ARG  27          1HH2      ARG  27  18.253  25.975  21.565
  212   2HH1  ARG  27          2HH2      ARG  27  19.709  26.832  21.999
  213   1HH2  ARG  27          1HH1      ARG  27  18.182  29.900  22.275
  214   2HH2  ARG  27          2HH1      ARG  27  19.662  28.988  22.385
  215    H    TYR  28           H        TYR  28  12.360  24.503  17.965
  216    HA   TYR  28           HA       TYR  28  12.624  21.673  17.905
  217   1HB   TYR  28          2HB       TYR  28  10.641  22.905  18.718
  218   2HB   TYR  28          3HB       TYR  28  10.253  23.384  17.077
  219    HD1  TYR  28           HD1      TYR  28  10.740  20.383  19.278
  220    HD2  TYR  28           HD2      TYR  28   9.082  21.931  15.614
  221    HE1  TYR  28           HE1      TYR  28   9.655  18.174  18.833
  222    HE2  TYR  28           HE2      TYR  28   8.006  19.721  15.174
  223    HH   TYR  28           HH       TYR  28   7.614  17.651  15.941
  224    H    TYR  29           H        TYR  29  11.733  23.900  15.214
  225    HA   TYR  29           HA       TYR  29  11.695  21.967  13.141
  226   1HB   TYR  29          2HB       TYR  29  10.820  24.267  12.903
  227   2HB   TYR  29          3HB       TYR  29  12.456  24.907  12.957
  228    HD1  TYR  29           HD1      TYR  29  10.179  22.615  11.049
  229    HD2  TYR  29           HD2      TYR  29  13.812  24.941  10.964
  230    HE1  TYR  29           HE1      TYR  29  10.461  22.087   8.641
  231    HE2  TYR  29           HE2      TYR  29  14.076  24.432   8.538
  232    HH   TYR  29           HH       TYR  29  11.777  22.306   6.793
  233    H    ALA  30           H        ALA  30  14.458  24.084  14.124
  234    HA   ALA  30           HA       ALA  30  16.366  23.157  12.337
  235   1HB   ALA  30          1HB       ALA  30  16.765  24.008  15.233
  236   2HB   ALA  30          2HB       ALA  30  18.026  23.957  13.985
  237   3HB   ALA  30          3HB       ALA  30  16.668  25.083  13.819
  238    H    ALA  31           H        ALA  31  15.315  21.499  15.268
  239    HA   ALA  31           HA       ALA  31  17.312  19.350  15.015
  240   1HB   ALA  31          1HB       ALA  31  15.016  19.838  16.956
  241   2HB   ALA  31          2HB       ALA  31  16.223  18.538  17.089
  242   3HB   ALA  31          3HB       ALA  31  16.726  20.235  17.212
  243    H    ASN  32           H        ASN  32  13.899  19.787  14.147
  244    HA   ASN  32           HA       ASN  32  13.659  16.862  13.515
  245   1HB   ASN  32          2HB       ASN  32  11.555  18.786  14.550
  246   2HB   ASN  32          3HB       ASN  32  11.296  17.092  14.151
  247   1HD2  ASN  32          2HD2      ASN  32  12.587  19.289  16.504
  248   2HD2  ASN  32          1HD2      ASN  32  12.919  18.051  17.726
  249    H    TYR  33           H        TYR  33  13.970  19.582  11.763
  250    HA   TYR  33           HA       TYR  33  12.021  19.954   9.978
  251   1HB   TYR  33          2HB       TYR  33  13.649  20.661   8.355
  252   2HB   TYR  33          3HB       TYR  33  14.078  21.207   9.956
  253    HD1  TYR  33           HD1      TYR  33  15.112  19.278   7.054
  254    HD2  TYR  33           HD2      TYR  33  15.973  20.068  11.207
  255    HE1  TYR  33           HE1      TYR  33  17.406  18.347   6.765
  256    HE2  TYR  33           HE2      TYR  33  18.243  19.111  10.925
  257    HH   TYR  33           HH       TYR  33  19.728  18.108   9.486
  258    H    TRP  34           H        TRP  34  14.073  17.096   9.806
  259    HA   TRP  34           HA       TRP  34  13.448  16.056   7.276
  260   1HB   TRP  34          2HB       TRP  34  14.067  13.894   8.214
  261   2HB   TRP  34          3HB       TRP  34  15.179  15.159   8.697
  262    HD1  TRP  34           HD1      TRP  34  15.171  15.872  11.303
  263    HE1  TRP  34           HE1      TRP  34  14.304  14.723  13.439
  264    HE3  TRP  34           HE3      TRP  34  12.341  12.171   9.161
  265    HZ2  TRP  34           HZ2      TRP  34  12.526  12.583  14.125
  266    HZ3  TRP  34           HZ3      TRP  34  11.121  10.539  10.594
  267    HH2  TRP  34           HH2      TRP  34  11.197  10.740  13.070
  268    H    GLN  35           H        GLN  35  11.392  15.948  10.180
  269    HA   GLN  35           HA       GLN  35   9.444  14.060   9.148
  270   1HB   GLN  35          2HB       GLN  35   9.032  16.267  11.218
  271   2HB   GLN  35          3HB       GLN  35   7.984  14.882  10.921
  272   1HG   GLN  35          2HG       GLN  35   9.866  13.361  11.564
  273   2HG   GLN  35          3HG       GLN  35  10.814  14.783  12.029
  274   1HE2  GLN  35          1HE2      GLN  35   9.272  16.390  13.476
  275   2HE2  GLN  35          2HE2      GLN  35   8.541  15.530  14.828
  276    H    PHE  36           H        PHE  36   9.750  17.557   8.998
  277    HA   PHE  36           HA       PHE  36   7.041  18.195   8.331
  278   1HB   PHE  36          2HB       PHE  36   9.653  19.751   8.119
  279   2HB   PHE  36          3HB       PHE  36   8.091  20.444   7.826
  280    HD1  PHE  36           HD1      PHE  36  10.146  18.821  10.493
  281    HD2  PHE  36           HD2      PHE  36   6.767  21.328   9.584
  282    HE1  PHE  36           HE1      PHE  36  10.068  19.566  12.857
  283    HE2  PHE  36           HE2      PHE  36   6.692  22.060  11.944
  284    HZ   PHE  36           HZ       PHE  36   8.356  21.235  13.564
  285    HA   PRO  37           HA       PRO  37   7.268  18.208   3.787
  286   1HB   PRO  37          2HB       PRO  37   5.291  19.916   3.149
  287   2HB   PRO  37          3HB       PRO  37   4.941  18.370   3.964
  288   1HG   PRO  37          2HG       PRO  37   5.227  21.081   5.291
  289   2HG   PRO  37          3HG       PRO  37   3.874  19.916   5.445
  290   1HD   PRO  37          2HD       PRO  37   5.938  19.990   7.229
  291   2HD   PRO  37          3HD       PRO  37   5.153  18.450   6.771
  292    H    ASP  38           H        ASP  38   8.179  19.536   2.187
  293    HA   ASP  38           HA       ASP  38   8.989  22.311   2.989
  294   1HB   ASP  38          2HB       ASP  38  10.988  22.186   1.739
  295   2HB   ASP  38          3HB       ASP  38  10.950  20.875   2.908
  296    H    GLY  39           H        GLY  39   7.635  20.259   0.487
  297   1HA   GLY  39          2HA       GLY  39   6.444  22.719  -0.773
  298   2HA   GLY  39          3HA       GLY  39   6.872  21.272  -1.696
  299    H    ILE  40           H        ILE  40   4.287  22.254  -1.752
  300    HA   ILE  40           HA       ILE  40   2.793  19.914  -0.706
  301    HB   ILE  40           HB       ILE  40   1.819  22.778  -0.355
  302   1HG1  ILE  40          2HG1      ILE  40   2.223  20.580   1.732
  303   2HG1  ILE  40          3HG1      ILE  40   3.361  21.889   1.442
  304   1HG2  ILE  40          1HG2      ILE  40   0.332  20.139   0.054
  305   2HG2  ILE  40          2HG2      ILE  40  -0.279  21.735   0.532
  306   3HG2  ILE  40          3HG2      ILE  40  -0.042  21.381  -1.163
  307   1HD1  ILE  40          1HD1      ILE  40   2.124  22.528   3.329
  308   2HD1  ILE  40          2HD1      ILE  40   1.551  23.550   1.998
  309   3HD1  ILE  40          3HD1      ILE  40   0.573  22.174   2.559
  310    H    TYR  41           H        TYR  41   1.740  18.994  -2.311
  311    HA   TYR  41           HA       TYR  41   1.429  20.242  -4.960
  312   1HB   TYR  41          2HB       TYR  41   1.980  17.848  -4.761
  313   2HB   TYR  41          3HB       TYR  41   0.544  17.574  -3.793
  314    HD1  TYR  41           HD1      TYR  41   1.736  18.526  -7.203
  315    HD2  TYR  41           HD2      TYR  41  -1.612  17.359  -4.768
  316    HE1  TYR  41           HE1      TYR  41   0.322  18.259  -9.258
  317    HE2  TYR  41           HE2      TYR  41  -3.024  17.090  -6.785
  318    HH   TYR  41           HH       TYR  41  -3.128  17.322  -9.082
  319    H    TYR  42           H        TYR  42  -0.235  21.596  -5.349
  320    HA   TYR  42           HA       TYR  42  -2.953  21.008  -4.438
  321   1HB   TYR  42          2HB       TYR  42  -2.105  22.213  -2.498
  322   2HB   TYR  42          3HB       TYR  42  -1.443  23.482  -3.513
  323    HD1  TYR  42           HD1      TYR  42  -2.708  25.449  -3.826
  324    HD2  TYR  42           HD2      TYR  42  -4.725  21.794  -2.725
  325    HE1  TYR  42           HE1      TYR  42  -4.857  26.680  -3.682
  326    HE2  TYR  42           HE2      TYR  42  -6.898  23.037  -2.653
  327    HH   TYR  42           HH       TYR  42  -7.113  26.516  -3.429
  328    H    GLU  43           H        GLU  43  -4.553  22.338  -5.471
  329    HA   GLU  43           HA       GLU  43  -3.692  23.617  -8.042
  330   1HB   GLU  43          2HB       GLU  43  -5.939  21.616  -7.615
  331   2HB   GLU  43          3HB       GLU  43  -5.705  22.591  -9.077
  332   1HG   GLU  43          2HG       GLU  43  -3.458  21.586  -9.392
  333   2HG   GLU  43          3HG       GLU  43  -3.693  20.600  -7.952
  334    H    GLY  44           H        GLY  44  -3.914  25.624  -7.375
  335   1HA   GLY  44          2HA       GLY  44  -6.358  26.580  -5.957
  336   2HA   GLY  44          3HA       GLY  44  -4.798  27.389  -6.045
  337    H    CYS  45           H        CYS  45  -4.175  28.033  -8.396
  338    HA   CYS  45           HA       CYS  45  -5.887  30.066  -9.245
  339   1HB   CYS  45          2HB       CYS  45  -3.651  28.680 -10.770
  340   2HB   CYS  45          3HB       CYS  45  -4.312  30.265 -11.147
  341    H    SER  46           H        SER  46  -7.758  29.992 -10.260
  342    HA   SER  46           HA       SER  46  -8.326  28.035 -12.436
  343   1HB   SER  46          2HB       SER  46  -9.158  27.113 -10.293
  344   2HB   SER  46          3HB       SER  46 -10.159  28.558 -10.066
  345    HG   SER  46           HG       SER  46 -11.293  26.784 -11.054
  346    H    GLU  47           H        GLU  47  -9.914  30.768 -10.657
  347    HA   GLU  47           HA       GLU  47 -10.270  32.220 -13.206
  348   1HB   GLU  47          2HB       GLU  47 -12.627  32.622 -12.807
  349   2HB   GLU  47          3HB       GLU  47 -12.321  30.897 -12.981
  350   1HG   GLU  47          2HG       GLU  47 -12.488  30.585 -10.537
  351   2HG   GLU  47          3HG       GLU  47 -12.682  32.324 -10.305
  352    H    ALA  48           H        ALA  48 -10.779  34.441 -12.977
  353    HA   ALA  48           HA       ALA  48  -9.172  35.856 -11.281
  354   1HB   ALA  48          1HB       ALA  48 -10.391  37.838 -12.092
  355   2HB   ALA  48          2HB       ALA  48 -10.074  36.683 -13.399
  356   3HB   ALA  48          3HB       ALA  48 -11.702  36.798 -12.684
  357    H    ASN  49           H        ASN  49 -12.470  34.925 -10.548
  358    HA   ASN  49           HA       ASN  49 -12.941  36.719  -8.341
  359   1HB   ASN  49          2HB       ASN  49 -14.180  34.021  -9.031
  360   2HB   ASN  49          3HB       ASN  49 -14.783  35.129  -7.798
  361   1HD2  ASN  49          2HD2      ASN  49 -15.426  34.182 -10.889
  362   2HD2  ASN  49          1HD2      ASN  49 -16.103  35.710 -11.469
  363    H    VAL  50           H        VAL  50 -11.162  33.692  -8.514
  364    HA   VAL  50           HA       VAL  50 -11.034  33.137  -5.645
  365    HB   VAL  50           HB       VAL  50  -9.142  32.328  -7.901
  366   1HG1  VAL  50          1HG1      VAL  50  -9.406  31.229  -5.072
  367   2HG1  VAL  50          2HG1      VAL  50  -8.398  30.550  -6.374
  368   3HG1  VAL  50          3HG1      VAL  50  -8.027  32.144  -5.726
  369   1HG2  VAL  50          1HG2      VAL  50 -11.403  31.410  -8.259
  370   2HG2  VAL  50          2HG2      VAL  50 -10.268  30.141  -7.796
  371   3HG2  VAL  50          3HG2      VAL  50 -11.421  30.777  -6.598
  372    H    THR  51           H        THR  51 -10.186  34.659  -4.280
  373    HA   THR  51           HA       THR  51  -8.018  36.487  -5.115
  374    HB   THR  51           HB       THR  51  -8.282  37.460  -2.895
  375    HG1  THR  51           1HG      THR  51  -9.989  36.597  -1.571
  376   1HG2  THR  51          1HG2      THR  51 -10.550  38.282  -3.017
  377   2HG2  THR  51          2HG2      THR  51  -9.906  38.142  -4.662
  378   3HG2  THR  51          3HG2      THR  51 -11.049  36.926  -4.047
  379    H    LYS  52           H        LYS  52  -6.203  36.806  -3.357
  380    HA   LYS  52           HA       LYS  52  -4.729  34.339  -2.970
  381   1HB   LYS  52          2HB       LYS  52  -3.558  36.518  -3.113
  382   2HB   LYS  52          3HB       LYS  52  -4.319  37.040  -1.598
  383   1HG   LYS  52          2HG       LYS  52  -3.252  35.207  -0.376
  384   2HG   LYS  52          3HG       LYS  52  -2.595  34.537  -1.877
  385   1HD   LYS  52          2HD       LYS  52  -1.099  36.456  -2.121
  386   2HD   LYS  52          3HD       LYS  52  -1.818  37.232  -0.682
  387   1HE   LYS  52          2HE       LYS  52  -1.162  35.308   0.716
  388   2HE   LYS  52          3HE       LYS  52  -0.522  34.467  -0.698
  389   1HZ   LYS  52          1HZ       LYS  52   0.577  37.001   0.395
  390   2HZ   LYS  52          2HZ       LYS  52   1.217  35.506   0.604
  391   3HZ   LYS  52          3HZ       LYS  52   1.179  36.171  -0.888
  392    H    GLU  53           H        GLU  53  -6.568  36.375  -0.717
  393    HA   GLU  53           HA       GLU  53  -6.428  34.847   1.611
  394   1HB   GLU  53          2HB       GLU  53  -8.963  36.224   0.621
  395   2HB   GLU  53          3HB       GLU  53  -8.551  35.781   2.271
  396   1HG   GLU  53          2HG       GLU  53  -8.000  37.971   2.380
  397   2HG   GLU  53          3HG       GLU  53  -6.440  37.354   1.859
  398    H    MET  54           H        MET  54  -8.831  34.385  -1.013
  399    HA   MET  54           HA       MET  54 -10.019  31.979  -0.037
  400   1HB   MET  54          2HB       MET  54  -9.667  33.060  -2.849
  401   2HB   MET  54          3HB       MET  54 -10.532  31.564  -2.483
  402   1HG   MET  54          2HG       MET  54 -12.129  32.742  -1.083
  403   2HG   MET  54          3HG       MET  54 -11.231  34.246  -1.245
  404   1HE   MET  54          1HE       MET  54 -13.616  31.661  -2.971
  405   2HE   MET  54          2HE       MET  54 -13.746  32.290  -4.627
  406   3HE   MET  54          3HE       MET  54 -12.228  31.554  -4.079
  407    H    LEU  55           H        LEU  55  -7.288  32.286  -2.450
  408    HA   LEU  55           HA       LEU  55  -7.012  29.515  -2.832
  409   1HB   LEU  55          2HB       LEU  55  -6.174  31.406  -4.236
  410   2HB   LEU  55          3HB       LEU  55  -4.842  31.643  -3.111
  411    HG   LEU  55           HG       LEU  55  -5.391  28.969  -4.478
  412   1HD1  LEU  55          1HD1      LEU  55  -3.632  31.243  -5.467
  413   2HD1  LEU  55          2HD1      LEU  55  -3.738  29.626  -6.189
  414   3HD1  LEU  55          3HD1      LEU  55  -5.153  30.688  -6.208
  415   1HD2  LEU  55          1HD2      LEU  55  -2.873  30.192  -3.271
  416   2HD2  LEU  55          2HD2      LEU  55  -3.732  28.756  -2.680
  417   3HD2  LEU  55          3HD2      LEU  55  -2.903  28.688  -4.223
  418    H    VAL  56           H        VAL  56  -5.099  31.610  -0.673
  419    HA   VAL  56           HA       VAL  56  -3.360  29.639   0.419
  420    HB   VAL  56           HB       VAL  56  -4.401  32.222   1.674
  421   1HG1  VAL  56          1HG1      VAL  56  -3.359  30.778   3.403
  422   2HG1  VAL  56          2HG1      VAL  56  -1.924  30.574   2.374
  423   3HG1  VAL  56          3HG1      VAL  56  -2.332  32.167   3.029
  424   1HG2  VAL  56          1HG2      VAL  56  -1.864  31.616   0.100
  425   2HG2  VAL  56          2HG2      VAL  56  -3.207  32.564  -0.496
  426   3HG2  VAL  56          3HG2      VAL  56  -2.267  33.171   0.869
  427    H    THR  57           H        THR  57  -6.527  30.834   1.662
  428    HA   THR  57           HA       THR  57  -6.692  29.133   3.963
  429    HB   THR  57           HB       THR  57  -8.968  30.317   2.320
  430    HG1  THR  57           1HG      THR  57  -7.874  31.978   3.049
  431   1HG2  THR  57          1HG2      THR  57  -8.886  29.280   5.190
  432   2HG2  THR  57          2HG2      THR  57 -10.222  30.204   4.469
  433   3HG2  THR  57          3HG2      THR  57  -9.833  28.600   3.842
  434    H    SER  58           H        SER  58  -8.113  28.668   0.673
  435    HA   SER  58           HA       SER  58  -9.153  26.067   1.149
  436   1HB   SER  58          2HB       SER  58  -8.279  27.417  -1.412
  437   2HB   SER  58          3HB       SER  58  -9.115  25.847  -1.332
  438    HG   SER  58           HG       SER  58 -10.577  27.610  -1.613
  439    H    CYS  59           H        CYS  59  -5.886  27.036   0.063
  440    HA   CYS  59           HA       CYS  59  -4.811  24.429  -0.328
  441   1HB   CYS  59          2HB       CYS  59  -3.678  26.391  -1.105
  442   2HB   CYS  59          3HB       CYS  59  -3.605  27.095   0.489
  443    H    VAL  60           H        VAL  60  -4.798  26.397   2.693
  444    HA   VAL  60           HA       VAL  60  -3.689  24.392   4.407
  445    HB   VAL  60           HB       VAL  60  -5.582  26.694   4.951
  446   1HG1  VAL  60          1HG1      VAL  60  -4.300  24.870   7.010
  447   2HG1  VAL  60          2HG1      VAL  60  -5.067  26.432   7.355
  448   3HG1  VAL  60          3HG1      VAL  60  -6.042  25.101   6.735
  449   1HG2  VAL  60          1HG2      VAL  60  -3.596  27.715   5.941
  450   2HG2  VAL  60          2HG2      VAL  60  -2.662  26.229   5.666
  451   3HG2  VAL  60          3HG2      VAL  60  -3.221  27.209   4.289
  452    H    ASN  61           H        ASN  61  -7.113  25.004   3.604
  453    HA   ASN  61           HA       ASN  61  -8.221  22.819   5.095
  454   1HB   ASN  61          2HB       ASN  61  -9.203  24.467   2.743
  455   2HB   ASN  61          3HB       ASN  61 -10.117  23.085   3.331
  456   1HD2  ASN  61          2HD2      ASN  61  -8.806  26.264   4.364
  457   2HD2  ASN  61          1HD2      ASN  61  -9.968  26.418   5.685
  458    H    ALA  62           H        ALA  62  -7.080  22.874   1.664
  459    HA   ALA  62           HA       ALA  62  -7.757  20.161   1.072
  460   1HB   ALA  62          1HB       ALA  62  -7.255  21.852  -0.633
  461   2HB   ALA  62          2HB       ALA  62  -5.575  21.971  -0.059
  462   3HB   ALA  62          3HB       ALA  62  -6.165  20.463  -0.788
  463    H    THR  63           H        THR  63  -4.747  21.637   2.292
  464    HA   THR  63           HA       THR  63  -3.168  19.301   2.568
  465    HB   THR  63           HB       THR  63  -3.063  21.713   4.414
  466    HG1  THR  63           1HG      THR  63  -2.895  22.407   2.311
  467   1HG2  THR  63          1HG2      THR  63  -0.948  19.701   3.515
  468   2HG2  THR  63          2HG2      THR  63  -0.659  21.128   4.528
  469   3HG2  THR  63          3HG2      THR  63  -1.658  19.801   5.141
  470    H    GLN  64           H        GLN  64  -5.339  20.793   5.036
  471    HA   GLN  64           HA       GLN  64  -5.168  18.844   7.029
  472   1HB   GLN  64          2HB       GLN  64  -7.467  20.620   6.159
  473   2HB   GLN  64          3HB       GLN  64  -7.610  19.490   7.508
  474   1HG   GLN  64          2HG       GLN  64  -5.802  20.566   8.703
  475   2HG   GLN  64          3HG       GLN  64  -5.477  21.631   7.323
  476   1HE2  GLN  64          2HE2      GLN  64  -5.727  23.386   8.968
  477   2HE2  GLN  64          1HE2      GLN  64  -7.366  23.920   9.329
  478    H    ALA  65           H        ALA  65  -7.731  18.977   4.505
  479    HA   ALA  65           HA       ALA  65  -8.977  16.569   4.992
  480   1HB   ALA  65          1HB       ALA  65  -9.877  16.810   2.710
  481   2HB   ALA  65          2HB       ALA  65  -9.852  18.363   3.567
  482   3HB   ALA  65          3HB       ALA  65  -8.622  18.009   2.333
  483    H    ALA  66           H        ALA  66  -6.217  17.071   2.780
  484    HA   ALA  66           HA       ALA  66  -6.044  14.388   1.810
  485   1HB   ALA  66          1HB       ALA  66  -3.810  15.144   1.005
  486   2HB   ALA  66          2HB       ALA  66  -5.110  16.286   0.617
  487   3HB   ALA  66          3HB       ALA  66  -3.997  16.633   1.958
  488    H    ASN  67           H        ASN  67  -4.782  15.804   4.813
  489    HA   ASN  67           HA       ASN  67  -3.306  13.254   5.379
  490   1HB   ASN  67          2HB       ASN  67  -2.274  16.036   6.042
  491   2HB   ASN  67          3HB       ASN  67  -1.414  14.513   6.183
  492   1HD2  ASN  67          2HD2      ASN  67  -2.377  17.068   4.072
  493   2HD2  ASN  67          1HD2      ASN  67  -1.399  16.604   2.695
  494    H    GLN  68           H        GLN  68  -5.868  13.807   6.292
  495    HA   GLN  68           HA       GLN  68  -6.173  15.052   8.767
  496   1HB   GLN  68          2HB       GLN  68  -7.614  12.592   7.704
  497   2HB   GLN  68          3HB       GLN  68  -8.127  13.457   9.149
  498   1HG   GLN  68          2HG       GLN  68  -7.900  14.814   6.443
  499   2HG   GLN  68          3HG       GLN  68  -9.342  13.970   6.974
  500   1HE2  GLN  68          2HE2      GLN  68 -10.837  15.635   7.310
  501   2HE2  GLN  68          1HE2      GLN  68 -10.498  16.996   8.373
  502    H    ALA  69           H        ALA  69  -5.481  11.568   8.371
  503    HA   ALA  69           HA       ALA  69  -5.304  10.895  11.115
  504   1HB   ALA  69          1HB       ALA  69  -3.893   9.651   8.713
  505   2HB   ALA  69          2HB       ALA  69  -4.113   8.892  10.304
  506   3HB   ALA  69          3HB       ALA  69  -5.528   9.255   9.297
  507    H    GLU  70           H        GLU  70  -2.724  11.966   8.901
  508    HA   GLU  70           HA       GLU  70  -0.471  11.636  10.587
  509   1HB   GLU  70          2HB       GLU  70  -0.875  13.821   8.505
  510   2HB   GLU  70          3HB       GLU  70   0.656  13.269   9.160
  511   1HG   GLU  70          2HG       GLU  70  -1.249  11.639   7.424
  512   2HG   GLU  70          3HG       GLU  70   0.257  12.382   6.910
  513    H    PHE  71           H        PHE  71  -2.540  14.529  10.180
  514    HA   PHE  71           HA       PHE  71  -1.328  16.041  12.326
  515   1HB   PHE  71          2HB       PHE  71  -4.115  16.236  11.112
  516   2HB   PHE  71          3HB       PHE  71  -3.408  17.403  12.219
  517    HD1  PHE  71           HD1      PHE  71  -0.883  18.207  11.413
  518    HD2  PHE  71           HD2      PHE  71  -4.118  16.902   8.861
  519    HE1  PHE  71           HE1      PHE  71   0.110  19.434   9.507
  520    HE2  PHE  71           HE2      PHE  71  -3.075  18.088   6.960
  521    HZ   PHE  71           HZ       PHE  71  -0.969  19.352   7.276
  522    H    SER  72           H        SER  72  -4.427  14.252  12.240
  523    HA   SER  72           HA       SER  72  -5.292  14.796  14.809
  524   1HB   SER  72          2HB       SER  72  -5.830  12.272  13.205
  525   2HB   SER  72          3HB       SER  72  -6.741  12.800  14.631
  526    HG   SER  72           HG       SER  72  -6.526  14.062  12.102
  527    H    ARG  73           H        ARG  73  -3.339  11.935  13.924
  528    HA   ARG  73           HA       ARG  73  -3.373  10.704  16.533
  529   1HB   ARG  73          2HB       ARG  73  -1.379  10.469  14.238
  530   2HB   ARG  73          3HB       ARG  73  -1.368   9.438  15.666
  531   1HG   ARG  73          2HG       ARG  73  -3.707   9.631  13.712
  532   2HG   ARG  73          3HG       ARG  73  -2.447   8.400  13.669
  533   1HD   ARG  73          2HD       ARG  73  -3.119   7.639  15.948
  534   2HD   ARG  73          3HD       ARG  73  -4.380   8.869  15.978
  535    HE   ARG  73           HE       ARG  73  -5.697   7.638  14.518
  536   1HH1  ARG  73          1HH2      ARG  73  -2.588   6.020  14.656
  537   2HH1  ARG  73          2HH2      ARG  73  -3.203   4.607  13.838
  538   1HH2  ARG  73          1HH1      ARG  73  -6.399   5.828  13.490
  539   2HH2  ARG  73          2HH1      ARG  73  -5.297   4.511  13.199
  540    H    GLU  74           H        GLU  74  -0.985  12.898  15.084
  541    HA   GLU  74           HA       GLU  74   0.682  13.015  17.479
  542   1HB   GLU  74          2HB       GLU  74   0.562  14.622  14.904
  543   2HB   GLU  74          3HB       GLU  74   1.514  15.164  16.275
  544   1HG   GLU  74          2HG       GLU  74   2.517  12.741  16.288
  545   2HG   GLU  74          3HG       GLU  74   1.883  12.647  14.643
  546    H    LYS  75           H        LYS  75  -1.791  15.190  16.169
  547    HA   LYS  75           HA       LYS  75  -1.613  17.418  17.747
  548   1HB   LYS  75          2HB       LYS  75  -3.112  17.089  15.825
  549   2HB   LYS  75          3HB       LYS  75  -4.167  16.064  16.807
  550   1HG   LYS  75          2HG       LYS  75  -4.728  18.009  18.236
  551   2HG   LYS  75          3HG       LYS  75  -3.557  19.001  17.356
  552   1HD   LYS  75          2HD       LYS  75  -5.748  19.540  16.545
  553   2HD   LYS  75          3HD       LYS  75  -4.897  18.668  15.261
  554   1HE   LYS  75          2HE       LYS  75  -6.090  16.573  15.919
  555   2HE   LYS  75          3HE       LYS  75  -6.912  17.450  17.215
  556   1HZ   LYS  75          1HZ       LYS  75  -7.196  18.038  14.312
  557   2HZ   LYS  75          2HZ       LYS  75  -8.307  17.278  15.232
  558   3HZ   LYS  75          3HZ       LYS  75  -7.959  18.846  15.510
  559    H    GLN  76           H        GLN  76  -2.926  14.413  18.885
  560    HA   GLN  76           HA       GLN  76  -4.275  15.175  21.251
  561   1HB   GLN  76          2HB       GLN  76  -2.514  12.714  20.950
  562   2HB   GLN  76          3HB       GLN  76  -3.867  12.937  22.056
  563   1HG   GLN  76          2HG       GLN  76  -3.956  12.581  19.045
  564   2HG   GLN  76          3HG       GLN  76  -4.598  11.512  20.279
  565   1HE2  GLN  76          2HE2      GLN  76  -5.587  13.623  17.958
  566