*HEADER    RNA BINDING PROTEIN/RNA                 15-JUN-11   2LEC              
*TITLE     SOLUTION STRUCTURE OF HUMAN SRSF2 (SC35) RRM IN COMPLEX WITH 5'-      
*TITLE    2 UGGAGU-3'                                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SERINE/ARGININE-RICH SPLICING FACTOR 2;                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RRM DOMAIN RESIDUES 1-101;                                 
*COMPND   5 SYNONYM: PROTEIN PR264, SPLICING COMPONENT, 35 KDA, SPLICING FACTOR  
*COMPND   6 SC35, SC-35, SPLICING FACTOR, ARGININE/SERINE-RICH 2;                
*COMPND   7 ENGINEERED: YES;                                                     
*COMPND   8 MOL_ID: 2;                                                           
*COMPND   9 MOLECULE: RNA (5'-R(*UP*GP*GP*AP*GP*U)-3');                          
*COMPND  10 CHAIN: B;                                                            
*COMPND  11 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: SFRS2, SRSF2;                                                  
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET28A;                                    
*SOURCE  10 MOL_ID: 2;                                                           
*SOURCE  11 SYNTHETIC: YES                                                       
*KEYWDS    SR PROTEIN, SPLICING FACTOR, RNA PROTEIN COMPLEX, RNA BINDING         
*KEYWDS   2 PROTEIN-RNA COMPLEX                                                  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    G.M.DAUBNER, A.CLERY, S.JAYNE, J.STEVENIN, F.H.-T.ALLAIN              
*REVDAT   1   23-NOV-11 2LEC    0                                                


#
# 34 PHE QD 37 TYR QE 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,

      rk2=50, rk3=50, ir6=1, ialtd=0,
 igr1= 535, 543,
 igr2= 594, 599,
 &end
#
# 31 ARG HA 34 PHE QD 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 535, 543,
 &end
#
# 34 PHE QD 40 VAL QQG 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 535, 543,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 34 PHE QD 62 PHE HZ 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 535, 543,
 &end
#
# 37 TYR QE 62 PHE HZ 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 594, 599,
 &end
#
# 40 VAL QQG 62 PHE HZ 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 60 VAL QQG 62 PHE HZ 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 971, 972, 973, 975, 976, 977,
 &end
#
# 34 PHE HB3 62 PHE HZ 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 532,1017, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 37 TYR HB2 62 PHE HZ 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 588,1017, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 62 PHE HZ 71 ALA QB 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2=1153,1154,1155,
 &end
#
# 34 PHE QD 37 TYR QD 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 535, 543,
 igr2= 592, 601,
 &end
#
# 34 PHE HB3 37 TYR QD 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2= 592, 601,
 &end
#
# 37 TYR QD 70 ASP QB 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 592, 601,
 igr2=1141,1142,
 &end
#
# 37 TYR QD 75 MET QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 592, 601,
 igr2=1202,1203,
 &end
#
# 36 LYS QD 37 TYR QD 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1= 572, 573,
 igr2= 592, 601,
 &end
#
# 37 TYR QD 75 MET QE 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
 igr1= 592, 601,
 igr2=1209,1210,1211,
 &end
#
# 36 LYS HB3 37 TYR QD 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2= 592, 601,
 &end
#
# 36 LYS QG 37 TYR QD 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 569, 570,
 igr2= 592, 601,
 &end
#
# 33 VAL HA 37 TYR QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 592, 601,
 &end
#
# 36 LYS QG 37 TYR QD 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1= 569, 570,
 igr2= 592, 601,
 &end
#
# 37 TYR QD 40 VAL QQG 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
 igr1= 592, 601,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 100 HIS QB 100 HIS HD2 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1=1588,1589,
 &end
#
# 34 PHE QD 62 PHE QD 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1= 535, 543,
 igr2=1013,1021,
 &end
#
# 62 PHE QD 67 ASP HA 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1102, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1=1013,1021,
 &end
#
# 62 PHE QD 67 ASP QB 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1013,1021,
 igr2=1104,1105,
 &end
#
# 62 PHE QD 68 ALA HA 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1=1013,1021,
 &end
#
# 39 ARG QB 62 PHE QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 616, 617,
 igr2=1013,1021,
 &end
#
# 16 LEU QB 62 PHE QD 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 222, 223,
 igr2=1013,1021,
 &end
#
# 40 VAL QQG 62 PHE QD 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 642, 643, 644, 646, 647, 648,
 igr2=1013,1021,
 &end
#
# 60 VAL QQG 62 PHE QD 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,
 igr1= 971, 972, 973, 975, 976, 977,
 igr2=1013,1021,
 &end
#
# 3 TYR QD 4 GLY QA 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1=  40,  49,
 igr2=  55,  56,
 &end
#
# 34 PHE QD 62 PHE QE 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 535, 543,
 igr2=1015,1019,
 &end
#
# 34 PHE HA 62 PHE QE 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1015,1019,
 &end
#
# 40 VAL QQG 62 PHE QE 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 642, 643, 644, 646, 647, 648,
 igr2=1015,1019,
 &end
#
# 34 PHE HB2 62 PHE QE 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=1015,1019,
 &end
#
# 34 PHE QE 62 PHE HZ 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 537, 541,
 &end
#
# 34 PHE HZ 76 ASP HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 539,1217, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 17 LYS HA 59 PHE QD 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 953, 961,
 &end
#
# 17 LYS HA 59 PHE HZ 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 957, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 39 ARG HA 63 HIS HD2 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 614,1038, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 62 PHE HB2 63 HIS HD2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1009,1038, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 63 HIS HD2 64 ASP HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1047, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 39 ARG QB 63 HIS HD2 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1038, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 616, 617,
 &end
#
# 39 ARG QG 63 HIS HD2 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1038, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1= 619, 620,
 &end
#
# 23 TYR QE 24 ARG HA 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 344, 349,
 &end
#
# 2 SER HA 3 TYR QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  42,  47,
 &end
#
# 44 TYR QD 46 PRO QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 695, 704,
 igr2= 728, 729,
 &end
#
# 36 LYS QG 37 TYR QE 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 569, 570,
 igr2= 594, 599,
 &end
#
# 34 PHE HA 37 TYR QE 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 594, 599,
 &end
#
# 37 TYR QE 74 ALA HA 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1190, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 594, 599,
 &end
#
# 37 TYR QE 70 ASP QB 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1= 594, 599,
 igr2=1141,1142,
 &end
#
# 37 TYR QE 71 ALA HA 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 594, 599,
 &end
#
# 37 TYR QE 75 MET QB 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 594, 599,
 igr2=1202,1203,
 &end
#
# 37 TYR QE 75 MET QE 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 594, 599,
 igr2=1209,1210,1211,
 &end
#
# 37 TYR QE 71 ALA QB 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 594, 599,
 igr2=1153,1154,1155,
 &end
#
# 37 TYR QE 74 ALA QB 3.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr1= 594, 599,
 igr2=1192,1193,1194,
 &end
#
# 44 TYR QE 46 PRO QG 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 697, 702,
 igr2= 731, 732,
 &end
#
# 44 TYR QE 46 PRO HA 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 737, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 697, 702,
 &end
#
# 21 LEU HB2 57 PHE QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 923, 931,
 &end
#
# 21 LEU QQD 57 PHE QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 310, 311, 312, 314, 315, 316,
 igr2= 923, 931,
 &end
#
# 45 ILE QD1 57 PHE QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 721, 722, 723,
 igr2= 923, 931,
 &end
#
# 19 ASP HA 57 PHE QD 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 923, 931,
 &end
#
# 17 LYS QB 59 PHE HA 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 241, 242,
 &end
#
# 19 ASP QB 57 PHE HA 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 279, 280,
 &end
#
# 19 ASP QB 57 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 279, 280,
 &end
#
# 18 VAL QQG 57 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 21 LEU QQD 57 PHE HA 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 310, 311, 312, 314, 315, 316,
 &end
#
# 45 ILE QG2 57 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 714, 715, 716,
 &end
#
# 19 ASP HA 57 PHE HB2 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 919, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 19 ASP HA 21 LEU QQD 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2= 310, 311, 312, 314, 315, 316,
 &end
#
# 19 ASP HA 21 LEU QQD 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr2= 310, 311, 312, 314, 315, 316,
 &end
#
# 35 GLU HA 35 GLU QG 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 554, 555,
 &end
#
# 16 LEU HA 62 PHE QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1013,1021,
 &end
#
# 35 GLU HA 40 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 638, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 15 SER HA 62 PHE HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 209,1010, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 35 GLU HA 62 PHE QE 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2=1015,1019,
 &end
#
# 15 SER HA 61 ARG HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 983, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 16 LEU HA 61 ARG HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 983, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 63 HIS HB3 64 ASP HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1030,1044, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 16 LEU HA 68 ALA QB 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2=1116,1117,1118,
 &end
#
# 88 GLN HA 88 GLN QE2 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat=1398,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2=1408,1409,
 &end
#
# 72 MET HA 87 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1382, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 72 MET HA 88 GLN HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1398, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 86 ARG HB2 87 VAL HA 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat=1360,1382, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 62 PHE HA 62 PHE QD 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2=1013,1021,
 &end
#
# 62 PHE HA 62 PHE QE 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2=1015,1019,
 &end
#
# 40 VAL HA 62 PHE HA 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 638,1007, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 40 VAL QQG 62 PHE HA 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 17 LYS HA 59 PHE HA 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 947, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 62 PHE HA 63 HIS HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1007,1030, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 18 VAL HA 87 VAL HA 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 261,1382, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 57 PHE QE 58 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 925, 929,
 &end
#
# 37 TYR QE 75 MET HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1200, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 594, 599,
 &end
#
# 58 ALA HA 59 PHE QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 937,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 949, 950,
 &end
#
# 18 VAL HA 87 VAL HB 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 261,1384, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 43 VAL HA 60 VAL HA 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 673, 967, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 43 VAL HA 60 VAL QQG 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 38 GLY QA 39 ARG QG 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 607, 608,
 igr2= 619, 620,
 &end
#
# 38 GLY QA 62 PHE QD 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr1= 607, 608,
 igr2=1013,1021,
 &end
#
# 49 ARG HA 50 TYR HA 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 779, 803, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 10 VAL HA 13 MET HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 50 TYR HA 51 THR HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 803, 824, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 85 LEU HA 85 LEU QQD 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1339,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 14 THR HA 63 HIS HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 195,1027, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 83 ARG HA 83 ARG QG 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2=1305,1306,
 &end
#
# 34 PHE HA 34 PHE QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 537, 541,
 &end
#
# 20 ASN HA 83 ARG QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1308,1309,
 &end
#
# 97 ASP HA 98 SER HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1546,1558, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 76 ASP HA 85 LEU HA 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1339, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 26 SER QB 27 PRO HD2 2.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 405, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
 igr1= 397, 398,
 &end
#
# 76 ASP HA 85 LEU QB 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat=1217,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2=1341,1342,
 &end
#
# 48 ASP HA 50 TYR QE 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 767,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 811, 816,
 &end
#
# 55 ARG HA 55 ARG QG 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2= 891, 892,
 &end
#
# 21 LEU HA 30 LEU QQD 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 20 ASN HD21 84 GLU HA 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 297,1324, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 23 TYR QD 24 ARG HA 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 342, 351,
 &end
#
# 73 ASP HA 76 ASP HB3 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat=1178,1220, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 44 TYR QE 45 ILE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 710, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 697, 702,
 &end
#
# 50 TYR QE 51 THR HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 824, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 811, 816,
 &end
#
# 6 PRO HA 7 PRO QG 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  94,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 102, 103,
 &end
#
# 51 THR HA 52 LYS QG 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 824,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 843, 844,
 &end
#
# 6 PRO HA 7 PRO QB 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  94,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr2= 105, 106,
 &end
#
# 45 ILE HA 46 PRO QD 3.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 710,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2= 728, 729,
 &end
#
# 62 PHE QE 67 ASP HA 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1102, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1=1015,1019,
 &end
#
# 74 ALA HA 75 MET HA 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat=1190,1200, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 73 ASP QB 74 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1190, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1180,1181,
 &end
#
# 30 LEU HA 34 PHE HB2 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 531, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 30 LEU HA 31 ARG HA 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 465, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 31 ARG HA 32 ARG HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 32 ARG HA 32 ARG QD 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 497, 498,
 &end
#
# 66 ARG HA 69 GLU HG2 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1129, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 32 ARG HA 35 GLU HB2 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 551, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 66 ARG HA 69 GLU HG3 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1130, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 32 ARG HA 32 ARG QB 2.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
 igr2= 491, 492,
 &end
#
# 30 LEU HA 33 VAL QQG 3.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 517, 518, 519, 521, 522, 523,
 &end
#
# 15 SER QB 59 PHE HZ 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 211, 212,
 &end
#
# 32 ARG HA 35 GLU HB3 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 552, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 21 LEU HA 25 THR HB 3.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 383, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 26 SER QB 27 PRO HD3 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1= 397, 398,
 &end
#
# 81 ASP QB 82 GLY HA3 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1294, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1=1283,1284,
 &end
#
# 27 PRO HA 30 LEU HB3 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 449, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 27 PRO HA 30 LEU HB2 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 448, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 25 THR HB 30 LEU QQD 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 21 LEU QQD 25 THR HB 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 310, 311, 312, 314, 315, 316,
 &end
#
# 3 TYR QB 4 GLY QA 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=  36,  37,
 igr2=  55,  56,
 &end
#
# 26 SER QB 28 ASP QB 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr1= 397, 398,
 igr2= 422, 423,
 &end
#
# 44 TYR QD 46 PRO HA 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 737, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 695, 704,
 &end
#
# 33 VAL HA 37 TYR QE 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 594, 599,
 &end
#
# 33 VAL HA 34 PHE QD 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2= 535, 543,
 &end
#
# 64 ASP HB3 65 LYS HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1047,1056, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 14 THR HB 65 LYS QE 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 197,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2=1067,1068,
 &end
#
# 27 PRO HD2 45 ILE QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 714, 715, 716,
 &end
#
# 16 LEU QQD 62 PHE HB3 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 34 PHE QE 72 MET HA 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1161, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 537, 541,
 &end
#
# 31 ARG HA 31 ARG QD 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 473, 474,
 &end
#
# 72 MET HA 76 ASP HB2 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1219, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 30 LEU HB3 31 ARG HA 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 465, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 20 ASN HB3 85 LEU QQD 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 82 GLY HA2 83 ARG HA 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1293,1300, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 37 TYR HB3 62 PHE HZ 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 589,1017, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 36 LYS QG 37 TYR HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 589, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 569, 570,
 &end
#
# 37 TYR HB3 74 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 589,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1192,1193,1194,
 &end
#
# 31 ARG QB 31 ARG QD 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 467, 468,
 igr2= 473, 474,
 &end
#
# 8 PRO QD 10 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 113, 114,
 igr2= 144, 145, 146, 148, 149, 150,
 &end
#
# 7 PRO QB 8 PRO QD 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 105, 106,
 igr2= 113, 114,
 &end
#
# 31 ARG QD 35 GLU HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 473, 474,
 &end
#
# 34 PHE HB3 35 GLU HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 549, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 31 ARG QD 43 VAL QQG 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 473, 474,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 18 VAL QQG 34 PHE HB3 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 76 ASP HB3 86 ARG HA 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat=1220,1358, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
# 83 ARG HA 83 ARG QD 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2=1308,1309,
 &end
#
# 65 LYS QE 69 GLU HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1124, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1067,1068,
 &end
#
# 39 ARG QG 64 ASP HB2 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1046, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 619, 620,
 &end
#
# 21 LEU QQD 57 PHE HB2 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 310, 311, 312, 314, 315, 316,
 &end
#
# 21 LEU QQD 57 PHE HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 310, 311, 312, 314, 315, 316,
 &end
#
# 20 ASN HB2 86 ARG QD 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2=1366,1367,
 &end
#
# 34 PHE QD 37 TYR HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 535, 543,
 &end
#
# 34 PHE QE 71 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 537, 541,
 &end
#
# 34 PHE QE 76 ASP HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1219, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 537, 541,
 &end
#
# 34 PHE HZ 76 ASP HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 539,1219, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 71 ALA HA 74 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1151,1190, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 76 ASP HB2 85 LEU QQD 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat=1219,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 14 THR HB 62 PHE HB2 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 197,1009, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 27 PRO HD2 28 ASP QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 422, 423,
 &end
#
# 40 VAL HA 62 PHE HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 638,1009, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 32 ARG HA 35 GLU QG 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 554, 555,
 &end
#
# 89 MET HG2 89 MET QE 3.12 
 &rst
  ixpk= 0, nxpk= 0, iat=1420,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2=1424,1425,1426,
 &end
#
# 51 THR HB 53 GLU QG 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 826,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 865, 866,
 &end
#
# 32 ARG QG 33 VAL HB 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 494, 495,
 &end
#
# 72 MET QE 87 VAL QQG 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1=1170,1171,1172,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 16 LEU QQD 72 MET QE 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2=1170,1171,1172,
 &end
#
# 85 LEU QB 85 LEU QQD 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1341,1342,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 52 LYS QB 52 LYS QE 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 840, 841,
 igr2= 849, 850,
 &end
#
# 72 MET QE 89 MET QE 2.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=1170,1171,1172,
 igr2=1424,1425,1426,
 &end
#
# 69 GLU HA 72 MET QE 2.52 
 &rst
  ixpk= 0, nxpk= 0, iat=1124,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2=1170,1171,1172,
 &end
#
# 31 ARG QD 35 GLU HB2 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 551, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1= 473, 474,
 &end
#
# 35 GLU HB2 40 VAL QQG 3.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 80 LEU QQD 84 GLU QG 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1269,1270,1271,1273,1274,1275,
 igr2=1329,1330,
 &end
#
# 88 GLN QB 88 GLN QE2 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=1400,1401,
 igr2=1408,1409,
 &end
#
# 76 ASP HB2 87 VAL HB 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat=1219,1384, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 68 ALA QB 89 MET QE 2.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr1=1116,1117,1118,
 igr2=1424,1425,1426,
 &end
#
# 31 ARG QB 43 VAL QQG 3.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 467, 468,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 85 LEU HA 85 LEU HG 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat=1339,1344, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 72 MET HB2 88 GLN HA 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat=1163,1398, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 86 ARG HB2 86 ARG HG2 2.55 
 &rst
  ixpk= 0, nxpk= 0, iat=1360,1363, r1= 1.30, r2= 1.80, r3= 2.55, r4= 3.05,  &end
#
# 13 MET QE 63 HIS HB3 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1030, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 187, 188, 189,
 &end
#
# 84 GLU QB 84 GLU QG 3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1326,1327,
 igr2=1329,1330,
 &end
#
# 84 GLU HA 84 GLU QB 3.02 
 &rst
  ixpk= 0, nxpk= 0, iat=1324,  -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
 igr2=1326,1327,
 &end
#
# 20 ASN HB3 86 ARG HB2 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,1360, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 30 LEU HB3 30 LEU QQD 3.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 18 VAL HB 34 PHE QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 263,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 535, 543,
 &end
#
# 39 ARG QG 63 HIS HD2 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1038, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 619, 620,
 &end
#
# 30 LEU HB3 60 VAL QQG 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 66 ARG QG 67 ASP QB 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1=1083,1084,
 igr2=1104,1105,
 &end
#
# 53 GLU HA 53 GLU QB 2.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 860,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 862, 863,
 &end
#
# 8 PRO QG 10 VAL QQG 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 116, 117,
 igr2= 144, 145, 146, 148, 149, 150,
 &end
#
# 24 ARG HA 24 ARG QB 3.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
 igr2= 359, 360,
 &end
#
# 5 ARG QG 5 ARG QD 2.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=  67,  68,
 igr2=  70,  71,
 &end
#
# 39 ARG QB 39 ARG QG 2.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 616, 617,
 igr2= 619, 620,
 &end
#
# 52 LYS QB 52 LYS QD 2.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr1= 840, 841,
 igr2= 846, 847,
 &end
#
# 51 THR HA 52 LYS QD 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 824,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2= 846, 847,
 &end
#
# 39 ARG HA 39 ARG QG 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 619, 620,
 &end
#
# 27 PRO HA 30 LEU HG 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 451, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 27 PRO HD3 45 ILE HB 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 712, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 30 LEU HG 58 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 451, 937, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 21 LEU QQD 30 LEU HG 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 310, 311, 312, 314, 315, 316,
 &end
#
# 30 LEU HB2 30 LEU HG 2.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 451, r1= 1.30, r2= 1.80, r3= 2.51, r4= 3.01,  &end
#
# 21 LEU HG 58 ALA HA 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 937, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 65 LYS HA 65 LYS QG 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2=1061,1062,
 &end
#
# 36 LYS HB3 37 TYR QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 594, 599,
 &end
#
# 30 LEU HB2 30 LEU QQD 2.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 21 LEU HB2 21 LEU QQD 3.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2= 310, 311, 312, 314, 315, 316,
 &end
#
# 62 PHE QE 68 ALA QB 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1=1015,1019,
 igr2=1116,1117,1118,
 &end
#
# 14 THR HA 68 ALA QB 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 195,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr2=1116,1117,1118,
 &end
#
# 25 THR HA 29 THR QG2 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 436, 437, 438,
 &end
#
# 29 THR QG2 32 ARG QD 2.55 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,
 igr1= 436, 437, 438,
 igr2= 497, 498,
 &end
#
# 85 LEU QB 85 LEU QQD 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=1341,1342,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 14 THR QG2 62 PHE QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 199, 200, 201,
 igr2=1013,1021,
 &end
#
# 23 TYR QD 24 ARG QG 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 342, 351,
 igr2= 362, 363,
 &end
#
# 45 ILE HA 45 ILE QG1 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 710,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 718, 719,
 &end
#
# 14 THR QG2 89 MET HG3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1421, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 199, 200, 201,
 &end
#
# 14 THR QG2 62 PHE HB3 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 199, 200, 201,
 &end
#
# 21 LEU HB3 21 LEU QQD 2.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 306,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr2= 310, 311, 312, 314, 315, 316,
 &end
#
# 21 LEU QQD 25 THR QG2 2.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr1= 310, 311, 312, 314, 315, 316,
 igr2= 385, 386, 387,
 &end
#
# 25 THR QG2 30 LEU QQD 2.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 385, 386, 387,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 33 VAL QQG 34 PHE QD 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 517, 518, 519, 521, 522, 523,
 igr2= 535, 543,
 &end
#
# 33 VAL QQG 34 PHE QE 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,
 igr1= 517, 518, 519, 521, 522, 523,
 igr2= 537, 541,
 &end
#
# 34 PHE QD 87 VAL QQG 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
 igr1= 535, 543,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 18 VAL QQG 34 PHE QD 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
 igr1= 265, 266, 267, 269, 270, 271,
 igr2= 535, 543,
 &end
#
# 34 PHE QD 87 VAL QQG 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1= 535, 543,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 18 VAL QQG 60 VAL QQG 3.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 265, 266, 267, 269, 270, 271,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 36 LYS HA 36 LYS QG 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 569, 570,
 &end
#
# 16 LEU QQD 69 GLU HA 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1124, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 72 MET HA 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1161, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 62 PHE HZ 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 80 LEU HA 80 LEU QQD 3.47 
 &rst
  ixpk= 0, nxpk= 0, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 27 PRO HA 58 ALA QB 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 939, 940, 941,
 &end
#
# 58 ALA QB 60 VAL QQG 3.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 939, 940, 941,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 30 LEU HG 58 ALA QB 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 939, 940, 941,
 &end
#
# 21 LEU QQD 58 ALA QB 2.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 310, 311, 312, 314, 315, 316,
 igr2= 939, 940, 941,
 &end
#
# 45 ILE QD1 58 ALA QB 2.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1= 721, 722, 723,
 igr2= 939, 940, 941,
 &end
#
# 16 LEU QQD 62 PHE QD 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2=1013,1021,
 &end
#
# 16 LEU QQD 62 PHE QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2=1015,1019,
 &end
#
# 43 VAL QQG 62 PHE QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 677, 678, 679, 681, 682, 683,
 igr2=1015,1019,
 &end
#
# 45 ILE QG1 58 ALA QB 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 718, 719,
 igr2= 939, 940, 941,
 &end
#
# 79 VAL QQG 84 GLU QB 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1=1250,1251,1252,1254,1255,1256,
 igr2=1326,1327,
 &end
#
# 40 VAL QQG 43 VAL QQG 2.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 642, 643, 644, 646, 647, 648,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 43 VAL QQG 60 VAL QQG 2.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 677, 678, 679, 681, 682, 683,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 43 VAL QQG 60 VAL HA 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 677, 678, 679, 681, 682, 683,
 &end
#
# 34 PHE HZ 85 LEU QQD 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 21 LEU QQD 58 ALA HA 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 310, 311, 312, 314, 315, 316,
 &end
#
# 75 MET HA 85 LEU QQD 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 84 GLU QB 85 LEU QQD 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1=1326,1327,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 76 ASP HA 85 LEU QQD 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat=1217,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 10 VAL HA 10 VAL QQG 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2= 144, 145, 146, 148, 149, 150,
 &end
#
# 10 VAL QQG 63 HIS HB3 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1030, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr1= 144, 145, 146, 148, 149, 150,
 &end
#
# 10 VAL QQG 61 ARG QD 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1= 144, 145, 146, 148, 149, 150,
 igr2= 991, 992,
 &end
#
# 18 VAL QQG 60 VAL QQG 3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 265, 266, 267, 269, 270, 271,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 18 VAL QQG 60 VAL QQG 3.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 265, 266, 267, 269, 270, 271,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 30 LEU QQD 62 PHE HZ 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 453, 454, 455, 457, 458, 459,
 &end
#
# 18 VAL HA 30 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 261,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 30 LEU QQD 43 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 453, 454, 455, 457, 458, 459,
 &end
#
# 30 LEU QQD 58 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 453, 454, 455, 457, 458, 459,
 &end
#
# 79 VAL QQG 80 LEU HA 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 79 VAL QQG 83 ARG HA 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 30 LEU QQD 60 VAL HB 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 969, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 453, 454, 455, 457, 458, 459,
 &end
#
# 30 LEU QQD 60 VAL QQG 2.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 453, 454, 455, 457, 458, 459,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 27 PRO HD3 45 ILE QG2 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 714, 715, 716,
 &end
#
# 45 ILE QG2 45 ILE QD1 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr1= 714, 715, 716,
 igr2= 721, 722, 723,
 &end
#
# 40 VAL QQG 62 PHE QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 642, 643, 644, 646, 647, 648,
 igr2=1013,1021,
 &end
#
# 40 VAL QQG 62 PHE QE 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 642, 643, 644, 646, 647, 648,
 igr2=1015,1019,
 &end
#
# 40 VAL QQG 62 PHE HZ 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 35 GLU QG 40 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 554, 555,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 21 LEU QQD 56 GLY QA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 310, 311, 312, 314, 315, 316,
 igr2= 910, 911,
 &end
#
# 45 ILE QD1 46 PRO QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 721, 722, 723,
 igr2= 728, 729,
 &end
#
# 21 LEU QQD 57 PHE HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 920, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 310, 311, 312, 314, 315, 316,
 &end
#
# 40 VAL QQG 60 VAL QQG 3.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 642, 643, 644, 646, 647, 648,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 17 LYS HA 60 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 60 VAL QQG 62 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 971, 972, 973, 975, 976, 977,
 &end
#
# 27 PRO HA 60 VAL QQG 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 40 VAL HB 60 VAL QQG 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 40 VAL HA 60 VAL QQG 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 39 ARG H 40 VAL H 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 636, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 39 ARG HA 40 VAL H 3.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 636, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
# 40 VAL H 40 VAL HB 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 640, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 39 ARG QG 40 VAL H 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 619, 620,
 &end
#
# 40 VAL H 40 VAL QQG 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 31 ARG QD 40 VAL H 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr1= 473, 474,
 &end
#
# 39 ARG QD 40 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 622, 623,
 &end
#
# 35 GLU QG 40 VAL H 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 554, 555,
 &end
#
# 35 GLU HA 40 VAL H 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 636, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 39 ARG QG 40 VAL H 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 619, 620,
 &end
#
# 35 GLU QG 40 VAL H 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 554, 555,
 &end
#
# 17 LYS QB 18 VAL H 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 241, 242,
 &end
#
# 18 VAL H 59 PHE QD 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 953, 961,
 &end
#
# 18 VAL H 59 PHE HA 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 947, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 18 VAL H 18 VAL HB 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 263, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 45 ILE H 45 ILE HB 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 708, 712, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 43 VAL QQG 45 ILE H 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 708, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 677, 678, 679, 681, 682, 683,
 &end
#
# 45 ILE H 58 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 708,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 939, 940, 941,
 &end
#
# 35 GLU HB3 38 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 605, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 37 TYR H 38 GLY H 3.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 605, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 37 TYR QD 38 GLY H 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 605, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 592, 601,
 &end
#
# 38 GLY H 62 PHE QE 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 605,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2=1015,1019,
 &end
#
# 35 GLU HA 38 GLY H 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 605, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 34 PHE HA 38 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 605, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 37 TYR HA 38 GLY H 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 586, 605, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 80 LEU HA 81 ASP H 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1279, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 81 ASP H 82 GLY HA2 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat=1279,1293, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 81 ASP H 81 ASP QB 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat=1279,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2=1283,1284,
 &end
#
# 81 ASP H 81 ASP QB 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=1279,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2=1283,1284,
 &end
#
# 79 VAL HB 81 ASP H 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat=1248,1279, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 80 LEU QB 81 ASP H 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1=1264,1265,
 &end
#
# 38 GLY H 39 ARG H 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 605, 612, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 37 TYR HB3 38 GLY H 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 589, 605, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 37 TYR HB2 38 GLY H 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 605, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 36 LYS QG 38 GLY H 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 605, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 569, 570,
 &end
#
# 80 LEU QQD 81 ASP H 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1269,1270,1271,1273,1274,1275,
 &end
#
# 80 LEU H 84 GLU QB 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2=1326,1327,
 &end
#
# 79 VAL HB 80 LEU H 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1248,1260, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 80 LEU H 80 LEU HG 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1267, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 80 LEU H 80 LEU QB 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2=1264,1265,
 &end
#
# 80 LEU H 80 LEU QQD 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 80 LEU H 81 ASP H 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1279, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 20 ASN HD22 85 LEU H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 296,1337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 79 VAL H 85 LEU H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1244,1337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 85 LEU H 86 ARG H 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=1337,1356, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 84 GLU QB 85 LEU H 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1326,1327,
 &end
#
# 84 GLU QB 85 LEU H 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1=1326,1327,
 &end
#
# 85 LEU H 85 LEU QB 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1341,1342,
 &end
#
# 85 LEU H 85 LEU QQD 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 85 LEU H 85 LEU QB 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2=1341,1342,
 &end
#
# 83 ARG QG 85 LEU H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1305,1306,
 &end
#
# 65 LYS H 68 ALA QB 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr2=1116,1117,1118,
 &end
#
# 64 ASP HB2 65 LYS H 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat=1046,1054, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 65 LYS H 65 LYS QD 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=1064,1065,
 &end
#
# 65 LYS H 65 LYS QG 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2=1061,1062,
 &end
#
# 14 THR QG2 65 LYS H 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1054, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 199, 200, 201,
 &end
#
# 64 ASP HA 65 LYS H 2.92 
 &rst
  ixpk= 0, nxpk= 0, iat=1044,1054, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,  &end
#
# 64 ASP HB3 65 LYS H 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat=1047,1054, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 65 LYS H 65 LYS HB3 3.36 
 &rst
  ixpk= 0, nxpk= 0, iat=1054,1059, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 65 LYS H 65 LYS HB2 3.31 
 &rst
  ixpk= 0, nxpk= 0, iat=1054,1058, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 17 LYS H 90 ALA H 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 237,1430, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 89 MET HA 90 ALA H 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat=1415,1430, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 89 MET HG3 90 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1421,1430, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 89 MET HG2 90 ALA H 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat=1420,1430, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 89 MET QB 90 ALA H 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1430, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1417,1418,
 &end
#
# 16 LEU HA 90 ALA H 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 220,1430, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 86 ARG HA 87 VAL H 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1358,1380, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 76 ASP HA 87 VAL H 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1380, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 76 ASP HB3 87 VAL H 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat=1220,1380, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 87 VAL H 87 VAL HB 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat=1380,1384, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 86 ARG QD 87 VAL H 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1380, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1=1366,1367,
 &end
#
# 72 MET HA 87 VAL H 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1380, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 44 TYR H 60 VAL HA 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 687, 967, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 44 TYR H 44 TYR QB 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 691, 692,
 &end
#
# 44 TYR H 59 PHE H 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 687, 945, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 44 TYR H 59 PHE QD 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 953, 961,
 &end
#
# 44 TYR H 44 TYR QD 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 695, 704,
 &end
#
# 43 VAL HA 44 TYR H 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 673, 687, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 43 VAL HB 44 TYR H 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 675, 687, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 43 VAL H 44 TYR H 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 671, 687, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 44 TYR H 60 VAL QQG 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 19 ASP H 87 VAL H 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 275,1380, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 48 ASP H 51 THR QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 765,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 828, 829, 830,
 &end
#
# 18 VAL H 19 ASP H 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 275, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 19 ASP H 19 ASP QB 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 279, 280,
 &end
#
# 19 ASP H 19 ASP QB 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 279, 280,
 &end
#
# 18 VAL HB 19 ASP H 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 263, 275, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 19 ASP H 21 LEU QQD 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr2= 310, 311, 312, 314, 315, 316,
 &end
#
# 19 ASP H 87 VAL HA 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 275,1382, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 18 VAL HA 19 ASP H 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 261, 275, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 81 ASP H 82 GLY H 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat=1279,1291, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 80 LEU H 82 GLY H 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1291, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 82 GLY H 83 ARG H 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat=1291,1298, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 80 LEU HA 82 GLY H 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1291, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 81 ASP HA 82 GLY H 3.21 
 &rst
  ixpk= 0, nxpk= 0, iat=1281,1291, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
# 79 VAL HB 82 GLY H 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat=1248,1291, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 79 VAL QQG 82 GLY H 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1291, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 79 VAL HA 82 GLY H 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1246,1291, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 81 ASP QB 82 GLY H 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1291, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1=1283,1284,
 &end
#
# 48 ASP QB 49 ARG H 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 777, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 769, 770,
 &end
#
# 48 ASP QB 49 ARG H 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 777, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 769, 770,
 &end
#
# 49 ARG H 49 ARG QB 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr2= 781, 782,
 &end
#
# 14 THR QG2 16 LEU H 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 199, 200, 201,
 &end
#
# 16 LEU H 61 ARG HA 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 983, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 15 SER QB 16 LEU H 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 211, 212,
 &end
#
# 16 LEU H 62 PHE H 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 218,1005, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 21 LEU QQD 26 SER H 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 310, 311, 312, 314, 315, 316,
 &end
#
# 26 SER H 30 LEU QD2 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 457, 458, 459,
 &end
#
# 26 SER H 29 THR H 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 430, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 25 THR H 26 SER H 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 379, 393, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 26 SER H 29 THR HB 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 434, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 25 THR HA 26 SER H 2.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 393, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
# 25 THR HB 26 SER H 3.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 393, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 43 VAL HA 61 ARG H 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 673, 981, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 78 ALA H 85 LEU H 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1234,1337, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 77 GLY H 78 ALA H 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,1234, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 78 ALA H 79 VAL H 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=1234,1244, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 77 GLY QA 78 ALA H 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1234, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1=1229,1230,
 &end
#
# 78 ALA H 85 LEU QB 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat=1234,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2=1341,1342,
 &end
#
# 78 ALA H 85 LEU HG 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=1234,1344, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 75 MET QG 78 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1234, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1205,1206,
 &end
#
# 78 ALA H 84 GLU QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1234,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1326,1327,
 &end
#
# 78 ALA H 78 ALA QB 2.73 
 &rst
  ixpk= 0, nxpk= 0, iat=1234,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2=1238,1239,1240,
 &end
#
# 78 ALA H 85 LEU QB 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat=1234,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2=1341,1342,
 &end
#
# 78 ALA H 79 VAL QQG 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat=1234,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2=1250,1251,1252,1254,1255,1256,
 &end
#
# 78 ALA H 85 LEU QQD 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat=1234,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 78 ALA H 85 LEU QQD 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat=1234,  -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 15 SER H 90 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1434,1435,1436,
 &end
#
# 15 SER H 68 ALA QB 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr2=1116,1117,1118,
 &end
#
# 17 LYS H 89 MET HA 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 237,1415, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 16 LEU QB 17 LYS H 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 222, 223,
 &end
#
# 14 THR QG2 17 LYS H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 199, 200, 201,
 &end
#
# 14 THR QG2 15 SER H 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 207, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 199, 200, 201,
 &end
#
# 17 LYS H 17 LYS QB 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 241, 242,
 &end
#
# 16 LEU HA 17 LYS H 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 237, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 17 LYS H 90 ALA HA 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 237,1432, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 17 LYS H 72 MET QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1170,1171,1172,
 &end
#
# 17 LYS H 88 GLN QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1400,1401,
 &end
#
# 17 LYS H 87 VAL QQG 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 10 VAL H 11 GLU H 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 154, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 11 GLU H 13 MET H 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 176, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 9 ASP HA 11 GLU H 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 154, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 11 GLU H 11 GLU QB 2.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
 igr2= 158, 159,
 &end
#
# 11 GLU H 13 MET QE 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2= 187, 188, 189,
 &end
#
# 10 VAL QQG 11 GLU H 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 144, 145, 146, 148, 149, 150,
 &end
#
# 43 VAL QQG 60 VAL H 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr1= 677, 678, 679, 681, 682, 683,
 &end
#
# 58 ALA QB 60 VAL H 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 939, 940, 941,
 &end
#
# 59 PHE QD 60 VAL H 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 953, 961,
 &end
#
# 59 PHE QB 60 VAL H 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 949, 950,
 &end
#
# 17 LYS HA 60 VAL H 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 965, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 100 HIS QB 101 SER H 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1601, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1588,1589,
 &end
#
# 42 ASP HA 43 VAL H 3.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 661, 671, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
# 42 ASP QB 43 VAL H 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 671, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 663, 664,
 &end
#
# 42 ASP H 43 VAL H 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 671, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 43 VAL H 60 VAL HA 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 671, 967, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 43 VAL H 43 VAL HB 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 671, 675, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 40 VAL QQG 43 VAL H 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 671, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 71 ALA H 72 MET H 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat=1149,1159, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 70 ASP H 71 ALA H 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat=1137,1149, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 71 ALA H 73 ASP H 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=1149,1176, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 37 TYR QD 71 ALA H 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1149, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 592, 601,
 &end
#
# 67 ASP HA 71 ALA H 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=1102,1149, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 69 GLU HA 71 ALA H 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat=1124,1149, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 37 TYR HB3 71 ALA H 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 589,1149, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 70 ASP QB 71 ALA H 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1149, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr1=1141,1142,
 &end
#
# 69 GLU HG3 71 ALA H 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat=1130,1149, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 71 ALA H 72 MET QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1149,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1170,1171,1172,
 &end
#
# 71 ALA H 71 ALA QB 3.04 
 &rst
  ixpk= 0, nxpk= 0, iat=1149,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2=1153,1154,1155,
 &end
#
# 71 ALA H 74 ALA QB 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=1149,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2=1192,1193,1194,
 &end
#
# 16 LEU QQD 71 ALA H 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1149, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 71 ALA H 72 MET HB3 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat=1149,1164, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 69 GLU QB 71 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1149, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1126,1127,
 &end
#
# 55 ARG H 55 ARG QG 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 884,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 891, 892,
 &end
#
# 55 ARG H 56 GLY H 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 908, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 55 ARG H 57 PHE QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 884,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 925, 929,
 &end
#
# 88 GLN H 88 GLN QB 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat=1396,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2=1400,1401,
 &end
#
# 89 MET H 89 MET HG2 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat=1413,1420, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 88 GLN QG 89 MET H 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1413, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=1403,1404,
 &end
#
# 88 GLN QG 89 MET H 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1413, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1=1403,1404,
 &end
#
# 88 GLN QB 89 MET H 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1413, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
 igr1=1400,1401,
 &end
#
# 89 MET H 89 MET QB 3.27 
 &rst
  ixpk= 0, nxpk= 0, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2=1417,1418,
 &end
#
# 23 TYR H 23 TYR HB3 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 339, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 23 TYR H 23 TYR HB2 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 338, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 22 THR QG2 23 TYR H 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 326, 327, 328,
 &end
#
# 15 SER HA 62 PHE H 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 209,1005, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 62 PHE H 62 PHE QD 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat=1005,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2=1013,1021,
 &end
#
# 62 PHE H 62 PHE QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1005,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1015,1019,
 &end
#
# 61 ARG QB 62 PHE H 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1005, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 985, 986,
 &end
#
# 14 THR QG2 62 PHE H 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1005, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 199, 200, 201,
 &end
#
# 89 MET H 90 ALA H 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat=1413,1430, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 88 GLN HA 89 MET H 2.99 
 &rst
  ixpk= 0, nxpk= 0, iat=1398,1413, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 89 MET H 89 MET HG3 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1413,1421, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 3 TYR H 4 GLY QA 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2=  55,  56,
 &end
#
# 2 SER HA 3 TYR H 2.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  23,  32, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23,  &end
#
# 2 SER QB 3 TYR H 3.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  32, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=  25,  26,
 &end
#
# 3 TYR H 3 TYR QB 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2=  36,  37,
 &end
#
# 87 VAL HB 88 GLN H 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=1384,1396, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 87 VAL HA 88 GLN H 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat=1382,1396, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 88 GLN H 88 GLN QB 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat=1396,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2=1400,1401,
 &end
#
# 88 GLN H 88 GLN QG 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat=1396,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2=1403,1404,
 &end
#
# 17 LYS H 88 GLN H 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 237,1396, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 79 VAL HA 84 GLU H 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat=1246,1322, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 20 ASN HD22 84 GLU H 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 296,1322, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 20 ASN HD21 84 GLU H 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 297,1322, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 83 ARG HA 84 GLU H 2.89 
 &rst
  ixpk= 0, nxpk= 0, iat=1300,1322, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
# 84 GLU H 84 GLU QB 3.04 
 &rst
  ixpk= 0, nxpk= 0, iat=1322,  -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
 igr2=1326,1327,
 &end
#
# 79 VAL HB 84 GLU H 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=1248,1322, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 83 ARG QG 84 GLU H 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=1305,1306,
 &end
#
# 84 GLU H 85 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1322,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 79 VAL QQG 84 GLU H 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 84 GLU H 85 LEU H 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat=1322,1337, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 4 GLY QA 5 ARG H 3.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr1=  55,  56,
 &end
#
# 3 TYR QB 5 ARG H 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=  36,  37,
 &end
#
# 5 ARG H 5 ARG QD 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2=  70,  71,
 &end
#
# 5 ARG H 5 ARG QG 3.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2=  67,  68,
 &end
#
# 86 ARG H 86 ARG HG3 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1356,1364, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 85 LEU QB 86 ARG H 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1356, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1341,1342,
 &end
#
# 86 ARG H 87 VAL H 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=1356,1380, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 19 ASP H 86 ARG H 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 275,1356, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 85 LEU HA 86 ARG H 3.45 
 &rst
  ixpk= 0, nxpk= 0, iat=1339,1356, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
# 19 ASP QB 86 ARG H 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1356, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 279, 280,
 &end
#
# 85 LEU QB 86 ARG H 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1356, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1=1341,1342,
 &end
#
# 18 VAL QQG 86 ARG H 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1356, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 70 ASP H 72 MET H 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1137,1159, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 69 GLU HG2 70 ASP H 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=1129,1137, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 66 ARG HA 70 ASP H 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1137, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 37 TYR HB3 70 ASP H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 589,1137, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 70 ASP H 70 ASP QB 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat=1137,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2=1141,1142,
 &end
#
# 70 ASP H 70 ASP QB 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat=1137,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2=1141,1142,
 &end
#
# 69 GLU HG3 70 ASP H 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat=1130,1137, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 69 GLU QB 70 ASP H 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1137, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=1126,1127,
 &end
#
# 68 ALA H 70 ASP H 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat=1112,1137, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 70 ASP H 71 ALA QB 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=1137,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1153,1154,1155,
 &end
#
# 62 PHE QD 63 HIS H 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1013,1021,
 &end
#
# 81 ASP HA 83 ARG H 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat=1281,1298, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 79 VAL HB 83 ARG H 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=1248,1298, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 79 VAL QQG 83 ARG H 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 81 ASP H 83 ARG H 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=1279,1298, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 80 LEU H 83 ARG H 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1298, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 83 ARG H 84 GLU H 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1322, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 83 ARG H 83 ARG QD 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1308,1309,
 &end
#
# 83 ARG H 83 ARG QB 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1302,1303,
 &end
#
# 79 VAL QQG 83 ARG H 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 80 LEU QQD 83 ARG H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1269,1270,1271,1273,1274,1275,
 &end
#
# 41 GLY H 63 HIS H 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 652,1025, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 62 PHE HB3 63 HIS H 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat=1010,1025, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 63 HIS H 63 HIS HB2 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat=1025,1029, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 63 HIS H 63 HIS HB3 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=1025,1030, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 13 MET QE 63 HIS H 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 187, 188, 189,
 &end
#
# 63 HIS H 64 ASP H 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat=1025,1042, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 62 PHE HB2 63 HIS H 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=1009,1025, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 72 MET HB3 76 ASP H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1164,1215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 76 ASP H 77 GLY H 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=1215,1227, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 75 MET H 76 ASP H 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat=1198,1215, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 74 ALA H 76 ASP H 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=1188,1215, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 34 PHE QE 76 ASP H 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1215, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 537, 541,
 &end
#
# 34 PHE HZ 76 ASP H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 539,1215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 72 MET HA 76 ASP H 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1215, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 76 ASP H 76 ASP HB3 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat=1215,1220, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 76 ASP H 76 ASP HB2 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat=1215,1219, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 75 MET QB 76 ASP H 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1215, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr1=1202,1203,
 &end
#
# 76 ASP H 78 ALA QB 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat=1215,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr2=1238,1239,1240,
 &end
#
# 76 ASP H 87 VAL QQG 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat=1215,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 76 ASP H 87 VAL H 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1215,1380, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 74 ALA HA 76 ASP H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1190,1215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 97 ASP H 98 SER H 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat=1544,1556, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 96 PRO QD 97 ASP H 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1544, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1=1531,1532,
 &end
#
# 96 PRO QD 97 ASP H 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1544, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1=1531,1532,
 &end
#
# 97 ASP H 97 ASP QB 3.03 
 &rst
  ixpk= 0, nxpk= 0, iat=1544,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2=1548,1549,
 &end
#
# 96 PRO QB 97 ASP H 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1544, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr1=1537,1538,
 &end
#
# 62 PHE QD 64 ASP H 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1=1013,1021,
 &end
#
# 64 ASP H 65 LYS H 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=1042,1054, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 62 PHE HB3 64 ASP H 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=1010,1042, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 63 HIS HB2 64 ASP H 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat=1029,1042, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 39 ARG QD 64 ASP H 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 622, 623,
 &end
#
# 64 ASP H 64 ASP HB2 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat=1042,1046, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 64 ASP H 68 ALA QB 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2=1116,1117,1118,
 &end
#
# 63 HIS HD2 64 ASP H 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1042, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 96 PRO QG 97 ASP H 3.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1544, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=1534,1535,
 &end
#
# 64 ASP H 67 ASP H 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat=1042,1100, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 67 ASP H 69 GLU H 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat=1100,1122, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 67 ASP H 68 ALA H 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1100,1112, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 67 ASP H 67 ASP QB 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat=1100,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2=1104,1105,
 &end
#
# 64 ASP HB3 67 ASP H 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat=1047,1100, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 66 ARG QB 67 ASP H 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1100, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1=1080,1081,
 &end
#
# 66 ARG QG 67 ASP H 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1100, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1=1083,1084,
 &end
#
# 67 ASP H 68 ALA QB 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat=1100,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2=1116,1117,1118,
 &end
#
# 14 THR QG2 67 ASP H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1100, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 199, 200, 201,
 &end
#
# 65 LYS H 67 ASP H 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat=1054,1100, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 64 ASP HA 67 ASP H 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat=1044,1100, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 65 LYS QD 68 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1064,1065,
 &end
#
# 66 ARG QG 68 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1083,1084,
 &end
#
# 64 ASP H 68 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1042,1112, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 68 ALA H 69 GLU H 3.45 
 &rst
  ixpk= 0, nxpk= 0, iat=1112,1122, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
# 66 ARG HA 68 ALA H 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1112, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 65 LYS HA 68 ALA H 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat=1056,1112, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 62 PHE HB3 68 ALA H 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat=1010,1112, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 67 ASP QB 68 ALA H 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1=1104,1105,
 &end
#
# 64 ASP HB3 68 ALA H 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=1047,1112, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 68 ALA H 72 MET QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1170,1171,1172,
 &end
#
# 68 ALA H 69 GLU QB 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2=1126,1127,
 &end
#
# 16 LEU QB 68 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 222, 223,
 &end
#
# 66 ARG QB 68 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1080,1081,
 &end
#
# 68 ALA H 68 ALA QB 3.10 
 &rst
  ixpk= 0, nxpk= 0, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2=1116,1117,1118,
 &end
#
# 34 PHE H 35 GLU H 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 547, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 34 PHE HB2 35 GLU H 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 547, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 35 GLU H 35 GLU QG 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 547,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 554, 555,
 &end
#
# 35 GLU H 36 LYS QG 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 547,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 569, 570,
 &end
#
# 31 ARG H 32 ARG H 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 463, 487, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 28 ASP HA 31 ARG H 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 463, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 32 ARG HA 35 GLU H 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 547, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 29 THR HA 31 ARG H 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 463, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 34 PHE HB3 35 GLU H 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 547, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 30 LEU HB2 31 ARG H 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 463, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 30 LEU QD2 31 ARG H 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 463, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 457, 458, 459,
 &end
#
# 31 ARG H 60 VAL QQG 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 22 THR H 25 THR H 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 379, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 25 THR H 25 THR HB 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 379, 383, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 24 ARG QB 25 THR H 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 359, 360,
 &end
#
# 22 THR QG2 25 THR H 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1= 326, 327, 328,
 &end
#
# 24 ARG QG 25 THR H 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 362, 363,
 &end
#
# 21 LEU QQD 25 THR H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 310, 311, 312, 314, 315, 316,
 &end
#
# 21 LEU QQD 25 THR H 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1= 310, 311, 312, 314, 315, 316,
 &end
#
# 9 ASP H 10 VAL H 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 138, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 9 ASP H 10 VAL QQG 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 144, 145, 146, 148, 149, 150,
 &end
#
# 9 ASP H 9 ASP QB 3.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr2= 130, 131,
 &end
#
# 9 ASP H 9 ASP QB 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2= 130, 131,
 &end
#
# 8 PRO QB 9 ASP H 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 126, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 119, 120,
 &end
#
# 8 PRO QG 9 ASP H 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 126, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1= 116, 117,
 &end
#
# 13 MET QE 14 THR H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 187, 188, 189,
 &end
#
# 14 THR H 65 LYS HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 193,1058, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 14 THR H 14 THR HB 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 197, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 13 MET QB 14 THR H 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 180, 181,
 &end
#
# 13 MET QB 14 THR H 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 180, 181,
 &end
#
# 14 THR H 15 SER H 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 207, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 30 LEU H 31 ARG H 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 463, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 30 LEU H 30 LEU QD2 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 457, 458, 459,
 &end
#
# 29 THR HB 30 LEU H 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 444, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 30 LEU H 30 LEU HG 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 451, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 25 THR QG2 30 LEU H 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 444, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1= 385, 386, 387,
 &end
#
# 30 LEU H 33 VAL QQG 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr2= 517, 518, 519, 521, 522, 523,
 &end
#
# 14 THR H 68 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1116,1117,1118,
 &end
#
# 78 ALA HA 79 VAL H 2.71 
 &rst
  ixpk= 0, nxpk= 0, iat=1236,1244, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21,  &end
#
# 79 VAL H 79 VAL HB 2.93 
 &rst
  ixpk= 0, nxpk= 0, iat=1244,1248, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
# 79 VAL H 80 LEU H 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat=1244,1260, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 66 ARG H 68 ALA H 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=1076,1112, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 64 ASP HB3 66 ARG H 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat=1047,1076, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 65 LYS HB3 66 ARG H 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat=1059,1076, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 65 LYS H 66 ARG H 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat=1054,1076, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 66 ARG H 69 GLU H 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat=1076,1122, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 66 ARG H 67 ASP H 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat=1076,1100, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 65 LYS QE 66 ARG H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1076, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1067,1068,
 &end
#
# 66 ARG H 67 ASP QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1104,1105,
 &end
#
# 66 ARG H 66 ARG QB 2.79 
 &rst
  ixpk= 0, nxpk= 0, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
 igr2=1080,1081,
 &end
#
# 66 ARG H 66 ARG QG 3.36 
 &rst
  ixpk= 0, nxpk= 0, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1083,1084,
 &end
#
# 65 LYS QG 66 ARG H 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1076, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1=1061,1062,
 &end
#
# 14 THR QG2 66 ARG H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1076, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 199, 200, 201,
 &end
#
# 72 MET H 73 ASP H 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat=1159,1176, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 68 ALA HA 72 MET H 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1159, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 72 MET H 72 MET QG 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=1166,1167,
 &end
#
# 72 MET H 72 MET HB3 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat=1159,1164, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 72 MET H 72 MET HB2 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat=1159,1163, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 71 ALA QB 72 MET H 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1=1153,1154,1155,
 &end
#
# 72 MET H 87 VAL QQG 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 51 THR HA 53 GLU H 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 824, 858, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 48 ASP QB 53 GLU H 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 858, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr1= 769, 770,
 &end
#
# 53 GLU H 54 SER H 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 858, 873, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 52 LYS H 53 GLU H 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 836, 858, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 48 ASP QB 53 GLU H 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 858, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 769, 770,
 &end
#
# 53 GLU H 53 GLU QG 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 858,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 865, 866,
 &end
#
# 53 GLU H 53 GLU QG 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 858,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 865, 866,
 &end
#
# 53 GLU H 53 GLU QB 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 858,  -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr2= 862, 863,
 &end
#
# 52 LYS QD 53 GLU H 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 858, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 846, 847,
 &end
#
# 35 GLU H 36 LYS H 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 562, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 36 LYS H 38 GLY H 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 605, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 36 LYS H 37 TYR QE 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 594, 599,
 &end
#
# 35 GLU QG 36 LYS H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 554, 555,
 &end
#
# 36 LYS H 36 LYS QG 2.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
 igr2= 569, 570,
 &end
#
# 36 LYS H 40 VAL QQG 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 33 VAL H 36 LYS H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 562, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 36 LYS H 37 TYR H 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 584, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 36 LYS H 37 TYR QD 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 592, 601,
 &end
#
# 36 LYS H 36 LYS HA 2.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 564, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
# 35 GLU HB3 36 LYS H 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 562, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 35 GLU HB2 36 LYS H 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 562, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 36 LYS H 36 LYS HB3 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 567, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
# 9 ASP HA 10 VAL H 3.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 138, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
# 9 ASP QB 10 VAL H 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 130, 131,
 &end
#
# 10 VAL H 11 GLU QB 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 158, 159,
 &end
#
# 10 VAL H 10 VAL QQG 3.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 144, 145, 146, 148, 149, 150,
 &end
#
# 34 PHE HA 36 LYS H 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 562, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 10 VAL H 11 GLU HA 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 156, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 29 THR H 31 ARG QB 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2= 467, 468,
 &end
#
# 29 THR H 30 LEU QD2 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2= 457, 458, 459,
 &end
#
# 29 THR H 31 ARG H 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 463, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 29 THR H 30 LEU H 3.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 444, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 29 THR H 30 LEU HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 449, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 29 THR H 29 THR HB 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 434, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 27 PRO HA 29 THR H 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 430, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 29 THR H 30 LEU HB2 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 448, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 13 MET H 13 MET QB 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 176,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 180, 181,
 &end
#
# 13 MET H 14 THR H 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 193, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 12 GLY H 13 MET H 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 176, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 13 MET H 13 MET QB 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 176,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2= 180, 181,
 &end
#
# 74 ALA H 75 MET QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1188,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1205,1206,
 &end
#
# 50 TYR H 50 TYR QE 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr2= 811, 816,
 &end
#
# 48 ASP QB 50 TYR H 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 769, 770,
 &end
#
# 10 VAL QQG 13 MET H 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr1= 144, 145, 146, 148, 149, 150,
 &end
#
# 10 VAL QQG 13 MET H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 144, 145, 146, 148, 149, 150,
 &end
#
# 72 MET H 74 ALA H 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat=1159,1188, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 74 ALA H 75 MET H 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat=1188,1198, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 37 TYR QE 74 ALA H 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1188, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 594, 599,
 &end
#
# 74 ALA H 75 MET HA 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=1188,1200, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 73 ASP HA 74 ALA H 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat=1178,1188, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 72 MET HA 74 ALA H 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1188, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 72 MET HB3 74 ALA H 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat=1164,1188, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 74 ALA H 75 MET QB 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat=1188,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2=1202,1203,
 &end
#
# 19 ASP HA 58 ALA H 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 935, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 57 PHE QD 58 ALA H 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 923, 931,
 &end
#
# 57 PHE HB2 58 ALA H 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 935, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 21 LEU HG 58 ALA H 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 935, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 49 ARG QB 50 TYR H 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 781, 782,
 &end
#
# 50 TYR H 51 THR H 3.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 801, 822, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 49 ARG H 50 TYR H 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 777, 801, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 50 TYR H 52 LYS H 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 801, 836, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 48 ASP HA 50 TYR H 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 801, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 50 TYR H 50 TYR HB3 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 801, 806, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 48 ASP QB 50 TYR H 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 769, 770,
 &end
#
# 57 PHE HA 58 ALA H 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 935, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 76 ASP HB3 77 GLY H 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat=1220,1227, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 77 GLY H 87 VAL QQG 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 77 GLY H 87 VAL H 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,1380, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 77 GLY H 86 ARG HA 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,1358, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 76 ASP HA 77 GLY H 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1227, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 77 GLY H 85 LEU QB 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=1341,1342,
 &end
#
# 75 MET QB 77 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1202,1203,
 &end
#
# 77 GLY H 85 LEU HG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,1344, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 77 GLY H 78 ALA QB 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2=1238,1239,1240,
 &end
#
# 77 GLY H 85 LEU QQD 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 77 GLY H 85 LEU QQD 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,  -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 76 ASP HB2 77 GLY H 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=1219,1227, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 77 GLY H 85 LEU H 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,1337, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 69 GLU H 69 GLU HG2 3.44 
 &rst
  ixpk= 0, nxpk= 0, iat=1122,1129, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 69 GLU H 69 GLU HG3 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat=1122,1130, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 69 GLU H 69 GLU QB 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2=1126,1127,
 &end
#
# 14 THR QG2 69 GLU H 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1= 199, 200, 201,
 &end
#
# 71 ALA QB 73 ASP H 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1176, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1=1153,1154,1155,
 &end
#
# 70 ASP H 73 ASP H 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat=1137,1176, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 73 ASP H 75 MET H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1176,1198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 73 ASP H 73 ASP QB 3.01 
 &rst
  ixpk= 0, nxpk= 0, iat=1176,  -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
 igr2=1180,1181,
 &end
#
# 73 ASP H 73 ASP QB 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat=1176,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2=1180,1181,
 &end
#
# 72 MET QG 73 ASP H 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1176, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=1166,1167,
 &end
#
# 73 ASP H 74 ALA QB 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1176,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=1192,1193,1194,
 &end
#
# 73 ASP H 74 ALA H 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat=1176,1188, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 72 MET HB3 73 ASP H 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat=1164,1176, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 72 MET HB2 73 ASP H 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=1163,1176, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 98 SER H 99 HIS H 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat=1556,1567, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 33 VAL H 34 PHE H 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 527, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 34 PHE H 34 PHE QD 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 535, 543,
 &end
#
# 34 PHE H 34 PHE QE 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr2= 537, 541,
 &end
#
# 34 PHE H 36 LYS H 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 562, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 34 PHE H 35 GLU HA 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 549, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 30 LEU HA 34 PHE H 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 527, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 34 PHE H 34 PHE HB3 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 532, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 34 PHE H 34 PHE HB2 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 531, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 33 VAL HB 34 PHE H 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 527, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 34 PHE H 62 PHE HZ 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 527,1017, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 31 ARG QB 34 PHE H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 467, 468,
 &end
#
# 32 ARG QB 34 PHE H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 491, 492,
 &end
#
# 29 THR QG2 34 PHE H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 436, 437, 438,
 &end
#
# 97 ASP HA 98 SER H 2.81 
 &rst
  ixpk= 0, nxpk= 0, iat=1546,1556, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,  &end
#
# 34 PHE H 37 TYR QD 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 592, 601,
 &end
#
# 34 PHE H 37 TYR QE 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2= 594, 599,
 &end
#
# 2 SER H 3 TYR H 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  21,  32, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 98 SER H 98 SER QB 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat=1556,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2=1560,1561,
 &end
#
# 97 ASP QB 98 SER H 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1556, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1=1548,1549,
 &end
#
# 59 PHE H 59 PHE QD 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 953, 961,
 &end
#
# 58 ALA QB 59 PHE H 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 939, 940, 941,
 &end
#
# 45 ILE QG2 59 PHE H 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 714, 715, 716,
 &end
#
# 39 ARG H 62 PHE QD 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2=1013,1021,
 &end
#
# 39 ARG H 62 PHE QE 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1015,1019,
 &end
#
# 39 ARG H 40 VAL HA 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 638, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 39 ARG H 39 ARG QD 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 622, 623,
 &end
#
# 39 ARG H 39 ARG QG 3.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2= 619, 620,
 &end
#
# 39 ARG H 39 ARG QG 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 619, 620,
 &end
#
# 39 ARG H 40 VAL QQG 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 54 SER H 54 SER QB 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 873,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 877, 878,
 &end
#
# 54 SER H 54 SER QB 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 873,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 877, 878,
 &end
#
# 53 GLU QB 54 SER H 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 873, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 862, 863,
 &end
#
# 39 ARG H 63 HIS HD2 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 612,1038, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 27 PRO HD2 28 ASP H 3.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 418, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 39 ARG H 39 ARG QB 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 616, 617,
 &end
#
# 27 PRO HG2 28 ASP H 3.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 418, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
# 31 ARG QD 32 ARG H 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 473, 474,
 &end
#
# 28 ASP QB 32 ARG H 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 422, 423,
 &end
#
# 31 ARG QB 32 ARG H 2.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
 igr1= 467, 468,
 &end
#
# 32 ARG H 32 ARG QG 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 494, 495,
 &end
#
# 28 ASP H 29 THR H 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 430, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 28 ASP H 30 LEU H 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 444, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 26 SER HA 28 ASP H 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 418, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 28 ASP H 28 ASP QB 2.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
 igr2= 422, 423,
 &end
#
# 28 ASP H 43 VAL QQG 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 28 ASP H 58 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 939, 940, 941,
 &end
#
# 28 ASP H 45 ILE QD1 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2= 721, 722, 723,
 &end
#
# 27 PRO HG3 28 ASP H 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 418, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 31 ARG QG 32 ARG H 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 470, 471,
 &end
#
# 28 ASP HA 32 ARG H 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 487, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 29 THR HA 32 ARG H 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 487, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 32 ARG H 32 ARG QD 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 497, 498,
 &end
#
# 32 ARG H 33 VAL QQG 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr2= 517, 518, 519, 521, 522, 523,
 &end
#
# 32 ARG H 34 PHE H 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 527, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 30 LEU H 32 ARG H 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 487, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
# 31 ARG H 33 VAL H 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 463, 511, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 33 VAL H 35 GLU H 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 547, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 30 LEU H 33 VAL H 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 511, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 33 VAL H 33 VAL HB 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 515, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 33 VAL H 75 MET QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1209,1210,1211,
 &end
#
# 33 VAL H 33 VAL QQG 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 517, 518, 519, 521, 522, 523,
 &end
#
# 30 LEU QD2 33 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 457, 458, 459,
 &end
#
# 30 LEU QD1 33 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 453, 454, 455,
 &end
#
# 33 VAL H 34 PHE HB2 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 531, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 32 ARG QB 33 VAL H 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 491, 492,
 &end
#
# 32 ARG QG 33 VAL H 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 494, 495,
 &end
#
# 32 ARG QG 33 VAL H 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 494, 495,
 &end
#
# 42 ASP H 61 ARG H 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 981, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 42 ASP H 60 VAL QQG 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 41 GLY H 42 ASP H 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 659, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 42 ASP H 62 PHE HA 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 659,1007, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 37 TYR H 37 TYR QE 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 584,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2= 594, 599,
 &end
#
# 37 TYR H 37 TYR QD 3.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 584,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 592, 601,
 &end
#
# 34 PHE HA 37 TYR H 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 584, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 37 TYR H 37 TYR HB3 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 589, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 37 TYR H 37 TYR HB2 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 588, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 36 LYS QG 37 TYR H 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 584, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 569, 570,
 &end
#
# 41 GLY H 62 PHE HA 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 652,1007, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 40 VAL QQG 41 GLY H 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 40 VAL HA 41 GLY H 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 638, 652, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 13 MET QE 41 GLY H 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 187, 188, 189,
 &end
#
# 35 GLU H 37 TYR H 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 584, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 21 LEU H 57 PHE HB2 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 919, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 21 LEU H 57 PHE HA 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 917, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 21 LEU H 21 LEU QQD 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2= 310, 311, 312, 314, 315, 316,
 &end
#
# 20 ASN H 21 LEU H 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 301, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 21 LEU H 22 THR H 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 320, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 20 ASN HA 21 LEU H 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 301, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 20 ASN HB3 21 LEU H 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 301, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 21 LEU H 21 LEU HG 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 308, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 21 LEU H 21 LEU HB2 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 305, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 21 LEU H 21 LEU HB3 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 306, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 21 LEU H 21 LEU QQD 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 310, 311, 312, 314, 315, 316,
 &end
#
# 21 LEU H 25 THR HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 383, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 23 TYR QE 24 ARG H 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 344, 349,
 &end
#
# 23 TYR HB3 24 ARG H 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 355, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 23 TYR H 24 ARG H 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 355, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 23 TYR QD 24 ARG H 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 342, 351,
 &end
#
# 24 ARG H 25 THR HA 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 381, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 24 ARG H 25 THR HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 383, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 24 ARG H 24 ARG QB 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2= 359, 360,
 &end
#
# 24 ARG H 25 THR H 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 379, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 24 ARG H 24 ARG QD 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 365, 366,
 &end
#
# 24 ARG H 24 ARG QB 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 359, 360,
 &end
#
# 22 THR QG2 24 ARG H 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 326, 327, 328,
 &end
#
# 24 ARG H 24 ARG QG 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 362, 363,
 &end
#
# 48 ASP HA 52 LYS H 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 836, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 51 THR H 52 LYS H 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 836, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 48 ASP QB 52 LYS H 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 769, 770,
 &end
#
# 48 ASP QB 52 LYS H 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 769, 770,
 &end
#
# 52 LYS H 52 LYS QB 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 836,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2= 840, 841,
 &end
#
# 52 LYS H 52 LYS QB 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 836,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2= 840, 841,
 &end
#
# 52 LYS H 52 LYS QD 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 836,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2= 846, 847,
 &end
#
# 52 LYS H 52 LYS QG 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 836,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 843, 844,
 &end
#
# 52 LYS H 53 GLU QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 836,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 862, 863,
 &end
#
# 57 PHE H 58 ALA HA 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 937, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 57 PHE H 58 ALA H 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 935, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 56 GLY H 57 PHE H 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 908, 915, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 55 ARG H 57 PHE H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 915, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 57 PHE H 57 PHE QD 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 923, 931,
 &end
#
# 55 ARG QB 57 PHE H 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 888, 889,
 &end
#
# 21 LEU QQD 57 PHE H 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 310, 311, 312, 314, 315, 316,
 &end
#
# 45 ILE QG2 57 PHE H 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 714, 715, 716,
 &end
#
# 21 LEU QQD 57 PHE H 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1= 310, 311, 312, 314, 315, 316,
 &end
#
# 45 ILE QD1 57 PHE H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 721, 722, 723,
 &end
#
# 20 ASN H 57 PHE HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 919, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 88 GLN QB 88 GLN QE2 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1400,1401,
 igr2=1408,1409,
 &end
#
# 88 GLN QG 88 GLN QE2 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=1403,1404,
 igr2=1408,1409,
 &end
#
# 88 GLN QB 88 GLN QE2 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1400,1401,
 igr2=1408,1409,
 &end
#
# 37 TYR QE 75 MET H 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 594, 599,
 &end
#
# 75 MET H 75 MET QB 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2=1202,1203,
 &end
#
# 71 ALA HA 75 MET H 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat=1151,1198, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 75 MET H 75 MET QE 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2=1209,1210,1211,
 &end
#
# 75 MET H 76 ASP HB3 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=1198,1220, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 72 MET HA 75 MET H 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1198, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 20 ASN HD22 86 ARG HG3 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 296,1364, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 20 ASN HD22 85 LEU HA 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 296,1339, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 20 ASN HB3 20 ASN HD22 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 296, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 20 ASN HD22 83 ARG QB 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 296,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2=1302,1303,
 &end
#
# 20 ASN HD22 86 ARG HB2 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 296,1360, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 20 ASN HD22 83 ARG QB 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 296,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2=1302,1303,
 &end
#
# 20 ASN HD21 83 ARG QG 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2=1305,1306,
 &end
#
# 20 ASN HD21 85 LEU HA 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 297,1339, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 20 ASN HB3 20 ASN HD21 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 297, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 20 ASN HB2 20 ASN HD21 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 297, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 20 ASN HD21 83 ARG QB 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr2=1302,1303,
 &end
#
# 20 ASN HD21 86 ARG HB2 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 297,1360, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 20 ASN HD21 83 ARG QB 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr2=1302,1303,
 &end
#
# 20 ASN HA 20 ASN HD21 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 297, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 20 ASN HD21 85 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 20 ASN HD21 85 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 21 LEU HA 22 THR H 3.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 320, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
# 21 LEU HB3 22 THR H 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 320, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 22 THR H 25 THR QG2 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 385, 386, 387,
 &end
#
# 21 LEU QQD 22 THR H 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 320, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 310, 311, 312, 314, 315, 316,
 &end
#
# 21 LEU QQD 22 THR H 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 320, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 310, 311, 312, 314, 315, 316,
 &end
#
# 20 ASN HD21 85 LEU H 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 297,1337, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 66 ARG H 66 ARG HE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1076,1089, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 66 ARG HA 66 ARG HE 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1089, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 66 ARG QB 66 ARG HE 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1=1080,1081,
 &end
#
# 66 ARG QG 66 ARG HE 3.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1=1083,1084,
 &end
#
# 48 ASP QB 51 THR H 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 769, 770,
 &end
#
# 51 THR H 51 THR HB 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 826, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 51 THR H 52 LYS HA 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 838, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 48 ASP QB 51 THR H 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 769, 770,
 &end
#
# 50 TYR HB3 51 THR H 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 806, 822, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 24 ARG QB 24 ARG HE 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 368, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 359, 360,
 &end
#
# 24 ARG QB 24 ARG HE 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 368, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 359, 360,
 &end
#
# 86 ARG HA 86 ARG HE 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=1358,1369, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 86 ARG HB3 86 ARG HE 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat=1361,1369, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 3 TYR QD 4 GLY H 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  53, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=  40,  49,
 &end
#
# 4 GLY H 5 ARG H 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  53,  60, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 3 TYR H 4 GLY H 3.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  53, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 4 GLY H 4 GLY QA 2.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  53,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr2=  55,  56,
 &end
#
# 2 SER QB 4 GLY H 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  53, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1=  25,  26,
 &end
#
# 3 TYR QB 4 GLY H 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  53, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=  36,  37,
 &end
#
# 3 TYR QB 4 GLY H 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  53, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1=  36,  37,
 &end
#
# 4 GLY H 5 ARG QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  53,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  67,  68,
 &end
#
# 2 SER HA 4 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  23,  53, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 13 MET QE 61 ARG HE 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 994, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 187, 188, 189,
 &end
#
# 83 ARG QB 83 ARG HE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1302,1303,
 &end
#
# 22 THR QG2 83 ARG HE 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr1= 326, 327, 328,
 &end
#
# 10 VAL QQG 61 ARG HE 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 994, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1= 144, 145, 146, 148, 149, 150,
 &end
#
# 31 ARG QB 31 ARG HE 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 467, 468,
 &end
#
# 39 ARG QB 39 ARG HE 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 616, 617,
 &end
#
# 31 ARG HE 39 ARG HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 476, 614, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 39 ARG HA 39 ARG HE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 625, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 31 ARG HA 31 ARG HE 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 476, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 31 ARG HE 43 VAL QQG 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 11 GLU QG 12 GLY H 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 161, 162,
 &end
#
# 11 GLU QB 12 GLY H 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1= 158, 159,
 &end
#
# 54 SER QB 56 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 877, 878,
 &end
#
# 54 SER QB 56 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 877, 878,
 &end
#
# 34 PHE QE 75 MET QE 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 537, 541,
 igr2=1209,1210,1211,
 &end
#
# 34 PHE HZ 75 MET QE 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2=1209,1210,1211,
 &end
#
# 33 VAL HA 75 MET QE 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1209,1210,1211,
 &end
#
# 75 MET QB 75 MET QE 3.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1202,1203,
 igr2=1209,1210,1211,
 &end
#
# 75 MET QG 75 MET QE 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1=1205,1206,
 igr2=1209,1210,1211,
 &end
#
# 33 VAL QQG 75 MET QE 3.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 517, 518, 519, 521, 522, 523,
 igr2=1209,1210,1211,
 &end
#
# 34 PHE QD 75 MET QE 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 535, 543,
 igr2=1209,1210,1211,
 &end
#
# 33 VAL QQG 75 MET QE 2.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1= 517, 518, 519, 521, 522, 523,
 igr2=1209,1210,1211,
 &end
#
# 77 GLY QA 85 LEU QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1229,1230,
 igr2=1341,1342,
 &end
#
# 40 VAL QQG 41 GLY QA 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 642, 643, 644, 646, 647, 648,
 igr2= 654, 655,
 &end
#
# 27 PRO HG3 45 ILE QD1 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 409,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 721, 722, 723,
 &end
#
# 44 TYR HA 45 ILE QD1 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2= 721, 722, 723,
 &end
#
# 80 LEU QB 81 ASP H 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1=1264,1265,
 &end
#
# 79 VAL HA 80 LEU QB 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat=1246,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1264,1265,
 &end
#
# 26 SER HA 45 ILE QD1 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 721, 722, 723,
 &end
#
# 45 ILE QD1 58 ALA HA 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 721, 722, 723,
 &end
#
# 27 PRO HD3 45 ILE QD1 3.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 721, 722, 723,
 &end
#
# 45 ILE H 45 ILE QD1 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 708,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 721, 722, 723,
 &end
#
# 27 PRO HG2 45 ILE QD1 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 721, 722, 723,
 &end
#
# 45 ILE HB 45 ILE QD1 3.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 721, 722, 723,
 &end
#
# 19 ASP QB 20 ASN H 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 279, 280,
 &end
#
# 19 ASP QB 21 LEU H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 301, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 279, 280,
 &end
#
# 19 ASP QB 20 ASN HA 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 279, 280,
 &end
#
# 19 ASP QB 86 ARG HB3 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1361, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 279, 280,
 &end
#
# 80 LEU QB 80 LEU QQD 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1264,1265,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 80 LEU QB 80 LEU QQD 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1=1264,1265,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 80 LEU QB 80 LEU QQD 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1264,1265,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 19 ASP QB 57 PHE HB2 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 279, 280,
 &end
#
# 19 ASP QB 20 ASN H 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 279, 280,
 &end
#
# 19 ASP QB 21 LEU H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 301, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 279, 280,
 &end
#
# 19 ASP QB 86 ARG HB2 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1360, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 279, 280,
 &end
#
# 13 MET QE 61 ARG QD 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 187, 188, 189,
 igr2= 991, 992,
 &end
#
# 8 PRO QG 61 ARG QD 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 116, 117,
 igr2= 991, 992,
 &end
#
# 64 ASP HB2 66 ARG QG 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat=1046,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr2=1083,1084,
 &end
#
# 48 ASP QB 52 LYS HA 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 769, 770,
 &end
#
# 64 ASP HB2 66 ARG H 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat=1046,1076, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 64 ASP HB2 67 ASP H 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat=1046,1100, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 64 ASP HB3 66 ARG QG 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=1083,1084,
 &end
#
# 64 ASP H 64 ASP HB3 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat=1042,1047, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 64 ASP HB3 66 ARG QB 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=1080,1081,
 &end
#
# 16 LEU QB 87 VAL QQG 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr1= 222, 223,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 24 ARG QB 24 ARG QD 3.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1= 359, 360,
 igr2= 365, 366,
 &end
#
# 21 LEU HB2 21 LEU QQD 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 310, 311, 312, 314, 315, 316,
 &end
#
# 85 LEU QB 85 LEU QQD 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1=1341,1342,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 21 LEU HB3 58 ALA QB 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 306,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 939, 940, 941,
 &end
#
# 21 LEU HB3 21 LEU QQD 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 306,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 310, 311, 312, 314, 315, 316,
 &end
#
# 39 ARG QD 63 HIS H 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 622, 623,
 &end
#
# 63 HIS HD2 64 ASP HB2 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1046, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 64 ASP HB2 68 ALA H 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat=1046,1112, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
# 79 VAL QQG 85 LEU QB 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1250,1251,1252,1254,1255,1256,
 igr2=1341,1342,
 &end
#
# 29 THR HA 32 ARG QD 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 497, 498,
 &end
#
# 32 ARG QD 33 VAL HA 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 497, 498,
 &end
#
# 32 ARG QB 32 ARG QD 2.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr1= 491, 492,
 igr2= 497, 498,
 &end
#
# 32 ARG QD 33 VAL H 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 497, 498,
 &end
#
# 31 ARG QD 40 VAL HB 2.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 473, 474,
 &end
#
# 39 ARG QG 39 ARG QD 2.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,
 igr1= 619, 620,
 igr2= 622, 623,
 &end
#
# 39 ARG QG 39 ARG QD 2.55 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
 igr1= 619, 620,
 igr2= 622, 623,
 &end
#
# 31 ARG QD 35 GLU H 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 547, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1= 473, 474,
 &end
#
# 20 ASN HD21 86 ARG QD 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr2=1366,1367,
 &end
#
# 86 ARG HA 86 ARG QD 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1358,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2=1366,1367,
 &end
#
# 86 ARG HG2 86 ARG QD 2.82 
 &rst
  ixpk= 0, nxpk= 0, iat=1363,  -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
 igr2=1366,1367,
 &end
#
# 66 ARG QD 67 ASP H 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1100, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1=1086,1087,
 &end
#
# 20 ASN HB3 86 ARG QD 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2=1366,1367,
 &end
#
# 66 ARG H 66 ARG QD 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2=1086,1087,
 &end
#
# 32 ARG QG 32 ARG QD 2.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
 igr1= 494, 495,
 igr2= 497, 498,
 &end
#
# 66 ARG QB 66 ARG QD 2.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1080,1081,
 igr2=1086,1087,
 &end
#
# 66 ARG QG 66 ARG QD 2.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=1083,1084,
 igr2=1086,1087,
 &end
#
# 39 ARG QD 64 ASP HB2 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1046, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 622, 623,
 &end
#
# 64 ASP HB2 66 ARG QD 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1046,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1086,1087,
 &end
#
# 22 THR QG2 24 ARG QD 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 326, 327, 328,
 igr2= 365, 366,
 &end
#
# 49 ARG QD 50 TYR QD 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 787, 788,
 igr2= 809, 818,
 &end
#
# 85 LEU H 86 ARG QD 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr2=1366,1367,
 &end
#
# 31 ARG H 31 ARG QD 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2= 473, 474,
 &end
#
# 31 ARG QD 35 GLU H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 547, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 473, 474,
 &end
#
# 31 ARG QD 32 ARG H 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 473, 474,
 &end
#
# 22 THR H 83 ARG QD 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2=1308,1309,
 &end
#
# 22 THR HA 83 ARG QD 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2=1308,1309,
 &end
#
# 20 ASN HB3 83 ARG QD 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=1308,1309,
 &end
#
# 21 LEU QQD 83 ARG QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 310, 311, 312, 314, 315, 316,
 igr2=1308,1309,
 &end
#
# 83 ARG QD 85 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1308,1309,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 62 PHE HB3 64 ASP HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1010,1046, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 62 PHE HB3 67 ASP QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1010,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1104,1105,
 &end
#
# 52 LYS QG 52 LYS QE 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 843, 844,
 igr2= 849, 850,
 &end
#
# 30 LEU H 30 LEU HB3 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 449, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 30 LEU H 30 LEU HB2 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 448, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 25 THR QG2 30 LEU HB2 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 385, 386, 387,
 &end
#
# 30 LEU HB2 33 VAL QQG 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr2= 517, 518, 519, 521, 522, 523,
 &end
#
# 62 PHE HB3 68 ALA HA 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat=1010,1114, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 57 PHE HB3 58 ALA H 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 920, 935, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 30 LEU HB3 34 PHE QD 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 535, 543,
 &end
#
# 25 THR QG2 30 LEU HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 385, 386, 387,
 &end
#
# 30 LEU HB3 33 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 517, 518, 519, 521, 522, 523,
 &end
#
# 30 LEU HB3 31 ARG H 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 463, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 30 LEU HB2 34 PHE QD 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2= 535, 543,
 &end
#
# 65 LYS QG 65 LYS QE 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1=1061,1062,
 igr2=1067,1068,
 &end
#
# 36 LYS QE 37 TYR H 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 584, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 575, 576,
 &end
#
# 65 LYS HA 65 LYS QE 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=1067,1068,
 &end
#
# 65 LYS QE 89 MET QE 2.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr1=1067,1068,
 igr2=1424,1425,1426,
 &end
#
# 65 LYS HB2 65 LYS QE 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr2=1067,1068,
 &end
#
# 65 LYS QD 65 LYS QE 2.51 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,
 igr1=1064,1065,
 igr2=1067,1068,
 &end
#
# 36 LYS QE 37 TYR QD 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 575, 576,
 igr2= 592, 601,
 &end
#
# 36 LYS H 36 LYS QE 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 575, 576,
 &end
#
# 36 LYS QE 37 TYR QE 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 575, 576,
 igr2= 594, 599,
 &end
#
# 33 VAL HA 36 LYS QE 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 575, 576,
 &end
#
# 36 LYS QD 36 LYS QE 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
 igr1= 572, 573,
 igr2= 575, 576,
 &end
#
# 36 LYS QG 36 LYS QE 2.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,
 igr1= 569, 570,
 igr2= 575, 576,
 &end
#
# 36 LYS QG 36 LYS QE 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 569, 570,
 igr2= 575, 576,
 &end
#
# 33 VAL QQG 36 LYS QE 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 517, 518, 519, 521, 522, 523,
 igr2= 575, 576,
 &end
#
# 65 LYS QE 69 GLU H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1067,1068,
 &end
#
# 72 MET HB2 76 ASP HB2 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat=1163,1219, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 28 ASP QB 31 ARG H 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 463, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 422, 423,
 &end
#
# 28 ASP QB 30 LEU H 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 444, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 422, 423,
 &end
#
# 27 PRO HG2 28 ASP QB 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 422, 423,
 &end
#
# 96 PRO QG 97 ASP QB 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1=1534,1535,
 igr2=1548,1549,
 &end
#
# 28 ASP QB 29 THR H 3.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
 igr1= 422, 423,
 &end
#
# 28 ASP HA 28 ASP QB 2.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,
 igr2= 422, 423,
 &end
#
# 67 ASP QB 71 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1104,1105,
 igr2=1153,1154,1155,
 &end
#
# 97 ASP QB 99 HIS H 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1567, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1=1548,1549,
 &end
#
# 64 ASP HB2 67 ASP QB 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=1046,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2=1104,1105,
 &end
#
# 73 ASP QB 74 ALA H 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1188, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1=1180,1181,
 &end
#
# 38 GLY H 67 ASP QB 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 605,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr2=1104,1105,
 &end
#
# 73 ASP QB 74 ALA H 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1188, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1180,1181,
 &end
#
# 72 MET QG 73 ASP QB 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1=1166,1167,
 igr2=1180,1181,
 &end
#
# 62 PHE QE 67 ASP QB 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1=1015,1019,
 igr2=1104,1105,
 &end
#
# 66 ARG QD 67 ASP QB 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=1086,1087,
 igr2=1104,1105,
 &end
#
# 27 PRO HG3 28 ASP QB 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 409,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr2= 422, 423,
 &end
#
# 9 ASP QB 11 GLU H 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 130, 131,
 &end
#
# 70 ASP QB 72 MET H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1141,1142,
 &end
#
# 70 ASP QB 71 ALA QB 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1=1141,1142,
 igr2=1153,1154,1155,
 &end
#
# 8 PRO QG 9 ASP QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 116, 117,
 igr2= 130, 131,
 &end
#
# 70 ASP QB 71 ALA H 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1149, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1=1141,1142,
 &end
#
# 81 ASP QB 82 GLY H 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1291, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1=1283,1284,
 &end
#
# 22 THR HB 25 THR H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 379, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 18 VAL QQG 34 PHE HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 37 TYR HB2 71 ALA HA 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 588,1151, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 45 ILE HB 58 ALA QB 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 939, 940, 941,
 &end
#
# 22 THR HB 24 ARG QD 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 365, 366,
 &end
#
# 22 THR HB 23 TYR H 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 334, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 22 THR HB 23 TYR QD 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 342, 351,
 &end
#
# 2 SER HA 3 TYR QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  36,  37,
 &end
#
# 50 TYR HB3 51 THR QG2 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 806,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 828, 829, 830,
 &end
#
# 50 TYR HB2 51 THR H 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 805, 822, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 50 TYR H 50 TYR HB2 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 801, 805, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 3 TYR H 3 TYR QB 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2=  36,  37,
 &end
#
# 3 TYR HA 3 TYR QB 3.01 
 &rst
  ixpk= 0, nxpk= 0, iat=  34,  -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
 igr2=  36,  37,
 &end
#
# 51 THR HB 52 LYS H 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 826, 836, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 51 THR HB 53 GLU H 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 826, 858, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 51 THR HB 53 GLU QB 5.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 826,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2= 862, 863,
 &end
#
# 14 THR HB 65 LYS HA 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 197,1056, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 14 THR HB 16 LEU QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 197,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 222, 223,
 &end
#
# 14 THR HB 65 LYS HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 197,1058, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 14 THR HB 68 ALA QB 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 197,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2=1116,1117,1118,
 &end
#
# 14 THR HB 15 SER H 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 207, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 14 THR HB 65 LYS HB3 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 197,1059, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 14 THR HB 89 MET QE 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 197,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr2=1424,1425,1426,
 &end
#
# 20 ASN HB3 21 LEU QQD 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr2= 310, 311, 312, 314, 315, 316,
 &end
#
# 20 ASN HB3 86 ARG H 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,1356, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 20 ASN HB2 20 ASN HD22 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 296, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 20 ASN HB2 85 LEU HA 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 291,1339, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 20 ASN HB2 86 ARG H 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 291,1356, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 35 GLU QG 40 VAL HB 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 554, 555,
 &end
#
# 20 ASN HB3 83 ARG QB 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2=1302,1303,
 &end
#
# 19 ASP HA 20 ASN HB2 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 291, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
# 20 ASN HB2 86 ARG HA 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 291,1358, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 35 GLU QG 40 VAL QQG 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 554, 555,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 35 GLU H 35 GLU QG 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 547,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 554, 555,
 &end
#
# 35 GLU HA 35 GLU QG 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 554, 555,
 &end
#
# 35 GLU QG 40 VAL QQG 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1= 554, 555,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 65 LYS QD 69 GLU HG2 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=1064,1065,
 &end
#
# 66 ARG H 69 GLU HG2 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat=1076,1129, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 22 THR QG2 23 TYR HB3 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 326, 327, 328,
 &end
#
# 31 ARG QG 35 GLU QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 470, 471,
 igr2= 554, 555,
 &end
#
# 68 ALA H 69 GLU HG2 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat=1112,1129, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 69 GLU HA 69 GLU HG2 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat=1124,1129, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 69 GLU HA 69 GLU HG3 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=1124,1130, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 29 THR HB 30 LEU QQD 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 29 THR HB 30 LEU HB2 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 448, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 28 ASP QB 29 THR HB 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 422, 423,
 &end
#
# 25 THR HB 29 THR QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 436, 437, 438,
 &end
#
# 84 GLU QG 85 LEU H 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1329,1330,
 &end
#
# 83 ARG HA 84 GLU QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1329,1330,
 &end
#
# 79 VAL H 84 GLU QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1329,1330,
 &end
#
# 79 VAL HB 84 GLU QG 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat=1248,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2=1329,1330,
 &end
#
# 84 GLU QG 85 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1329,1330,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 84 GLU QG 85 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1329,1330,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 80 LEU QQD 84 GLU QG 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1269,1270,1271,1273,1274,1275,
 igr2=1329,1330,
 &end
#
# 79 VAL HA 84 GLU QG 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat=1246,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2=1329,1330,
 &end
#
# 84 GLU H 84 GLU QG 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=1322,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2=1329,1330,
 &end
#
# 84 GLU QG 85 LEU QQD 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.10, r4= 8.60,
 igr1=1329,1330,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 84 GLU QG 85 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1329,1330,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 10 VAL H 11 GLU QG 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 161, 162,
 &end
#
# 11 GLU H 11 GLU QG 2.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
 igr2= 161, 162,
 &end
#
# 9 ASP HA 11 GLU QG 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2= 161, 162,
 &end
#
# 11 GLU QB 11 GLU QG 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
 igr1= 158, 159,
 igr2= 161, 162,
 &end
#
# 10 VAL QQG 11 GLU QG 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 144, 145, 146, 148, 149, 150,
 igr2= 161, 162,
 &end
#
# 11 GLU QG 13 MET H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 161, 162,
 &end
#
# 53 GLU QG 54 SER H 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 873, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1= 865, 866,
 &end
#
# 51 THR HA 53 GLU QG 5.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 824,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 865, 866,
 &end
#
# 53 GLU QG 54 SER H 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 873, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 865, 866,
 &end
#
# 79 VAL HA 84 GLU QG 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat=1246,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2=1329,1330,
 &end
#
# 51 THR HB 53 GLU QG 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 826,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2= 865, 866,
 &end
#
# 52 LYS HA 53 GLU QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 865, 866,
 &end
#
# 53 GLU QG 54 SER QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 865, 866,
 igr2= 877, 878,
 &end
#
# 40 VAL QQG 43 VAL HB 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 675, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 27 PRO HA 43 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 675, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 30 LEU HB3 43 VAL HB 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 675, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 29 THR HA 32 ARG QG 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2= 494, 495,
 &end
#
# 29 THR HA 30 LEU QQD 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 28 ASP QB 29 THR HA 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 422, 423,
 &end
#
# 43 VAL HB 60 VAL HB 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 675, 969, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 18 VAL HB 60 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 263, 969, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 30 LEU HB3 60 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 969, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 43 VAL QQG 60 VAL HB 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 969, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 677, 678, 679, 681, 682, 683,
 &end
#
# 18 VAL QQG 60 VAL HB 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 969, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 13 MET QB 13 MET QE 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 180, 181,
 igr2= 187, 188, 189,
 &end
#
# 27 PRO HA 30 LEU H 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 444, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 27 PRO HA 30 LEU QQD 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 18 VAL HB 60 VAL QQG 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 263,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 18 VAL HB 60 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 263,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 33 VAL HA 36 LYS H 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 562, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 33 VAL HA 35 GLU H 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 547, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 88 GLN QG 88 GLN QE2 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1=1403,1404,
 igr2=1408,1409,
 &end
#
# 14 THR HA 65 LYS HB2 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 195,1058, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 88 GLN HA 88 GLN QG 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat=1398,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2=1403,1404,
 &end
#
# 65 LYS HB3 65 LYS QE 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1067,1068,
 &end
#
# 16 LEU QQD 72 MET HB2 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1163, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 40 VAL HB 43 VAL QQG 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 65 LYS HB2 66 ARG H 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat=1058,1076, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 65 LYS HB3 65 LYS QD 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2=1064,1065,
 &end
#
# 64 ASP HA 65 LYS HB2 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=1044,1058, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 72 MET QE 89 MET HG2 2.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
 igr1=1170,1171,1172,
 &end
#
# 89 MET QB 89 MET HG2 2.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
 igr1=1417,1418,
 &end
#
# 21 LEU QQD 26 SER QB 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.11, r4= 8.61,
 igr1= 310, 311, 312, 314, 315, 316,
 igr2= 397, 398,
 &end
#
# 25 THR HA 29 THR HB 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 434, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 101 SER H 101 SER QB 3.17 
 &rst
  ixpk= 0, nxpk= 0, iat=1601,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr2=1605,1606,
 &end
#
# 101 SER HA 101 SER QB 2.57 
 &rst
  ixpk= 0, nxpk= 0, iat=1603,  -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
 igr2=1605,1606,
 &end
#
# 26 SER QB 29 THR H 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 397, 398,
 &end
#
# 26 SER QB 28 ASP H 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 397, 398,
 &end
#
# 26 SER H 26 SER QB 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 397, 398,
 &end
#
# 26 SER QB 27 PRO HG3 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 409, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 397, 398,
 &end
#
# 72 MET QE 89 MET HG3 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1421, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1=1170,1171,1172,
 &end
#
# 89 MET HG3 89 MET QE 3.27 
 &rst
  ixpk= 0, nxpk= 0, iat=1421,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1424,1425,1426,
 &end
#
# 16 LEU QQD 89 MET HG2 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 89 MET HA 89 MET HG2 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=1415,1420, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 86 ARG H 86 ARG HB2 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat=1356,1360, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 26 SER QB 45 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= 397, 398,
 igr2= 721, 722, 723,
 &end
#
# 19 ASP H 86 ARG HB2 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 275,1360, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 86 ARG HB2 87 VAL H 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=1360,1380, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 86 ARG HB2 86 ARG QD 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat=1360,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr2=1366,1367,
 &end
#
# 86 ARG HB3 86 ARG QD 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=1361,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2=1366,1367,
 &end
#
# 86 ARG H 86 ARG HB3 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=1356,1361, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 86 ARG HB3 87 VAL H 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=1361,1380, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 19 ASP H 86 ARG HB3 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 275,1361, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 19 ASP QB 86 ARG HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1361, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 279, 280,
 &end
#
# 10 VAL HB 13 MET H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 30 LEU H 33 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 515, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 30 LEU HA 33 VAL HB 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 515, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 33 VAL HB 34 PHE QD 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 535, 543,
 &end
#
# 2 SER QB 3 TYR QB 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=  25,  26,
 igr2=  36,  37,
 &end
#
# 98 SER QB 99 HIS H 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1567, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1=1560,1561,
 &end
#
# 2 SER QB 3 TYR QD 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr1=  25,  26,
 igr2=  40,  49,
 &end
#
# 2 SER H 2 SER QB 3.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
 igr2=  25,  26,
 &end
#
# 2 SER QB 3 TYR QE 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  25,  26,
 igr2=  42,  47,
 &end
#
# 95 PRO HA 96 PRO QB 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat=1526,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2=1537,1538,
 &end
#
# 8 PRO QB 10 VAL H 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 119, 120,
 &end
#
# 36 LYS HB3 36 LYS QE 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 575, 576,
 &end
#
# 36 LYS HB2 36 LYS QE 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 575, 576,
 &end
#
# 36 LYS HB2 37 TYR H 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 566, 584, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 36 LYS H 36 LYS HB2 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 566, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 98 SER H 98 SER QB 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat=1556,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2=1560,1561,
 &end
#
# 10 VAL HB 11 GLU H 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 154, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 36 LYS HB3 37 TYR H 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 584, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 16 LEU QQD 89 MET QB 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2=1417,1418,
 &end
#
# 36 LYS HB2 37 TYR QD 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 592, 601,
 &end
#
# 53 GLU H 53 GLU QB 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 858,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 862, 863,
 &end
#
# 53 GLU QB 54 SER H 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 873, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 862, 863,
 &end
#
# 89 MET QB 90 ALA H 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1430, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1=1417,1418,
 &end
#
# 34 PHE HA 36 LYS QE 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 575, 576,
 &end
#
# 34 PHE HA 62 PHE HZ 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 529,1017, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 95 PRO HA 96 PRO HA 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat=1526,1540, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 96 PRO HA 97 ASP HA 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1540,1546, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 16 LEU QQD 72 MET QG 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2=1166,1167,
 &end
#
# 72 MET QG 72 MET QE 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1=1166,1167,
 igr2=1170,1171,1172,
 &end
#
# 34 PHE HA 37 TYR HB2 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 588, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 95 PRO QB 96 PRO HA 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1540, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1=1523,1524,
 &end
#
# 8 PRO HA 10 VAL H 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 138, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 72 MET QG 87 VAL QQG 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1=1166,1167,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 72 MET QG 73 ASP QB 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1166,1167,
 igr2=1180,1181,
 &end
#
# 8 PRO HA 9 ASP QB 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 130, 131,
 &end
#
# 8 PRO HA 10 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 144, 145, 146, 148, 149, 150,
 &end
#
# 8 PRO HA 9 ASP H 2.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 126, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
# 8 PRO HA 9 ASP QB 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2= 130, 131,
 &end
#
# 33 VAL QQG 34 PHE HA 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 517, 518, 519, 521, 522, 523,
 &end
#
# 34 PHE HA 36 LYS QG 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 569, 570,
 &end
#
# 39 ARG QB 40 VAL H 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 616, 617,
 &end
#
# 48 ASP QB 51 THR HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 824, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 769, 770,
 &end
#
# 51 THR HA 52 LYS QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 824,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 849, 850,
 &end
#
# 32 ARG H 32 ARG QB 3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 491, 492,
 &end
#
# 39 ARG QB 39 ARG QD 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 616, 617,
 igr2= 622, 623,
 &end
#
# 32 ARG QB 33 VAL QQG 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
 igr1= 491, 492,
 igr2= 517, 518, 519, 521, 522, 523,
 &end
#
# 50 TYR HB2 51 THR HA 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 805, 824, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 40 VAL HA 41 GLY QA 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr2= 654, 655,
 &end
#
# 51 THR HA 51 THR HB 2.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 824, 826, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,  &end
#
# 40 VAL HA 63 HIS H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 638,1025, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 28 ASP QB 32 ARG QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 422, 423,
 igr2= 491, 492,
 &end
#
# 79 VAL HA 84 GLU QB 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=1246,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1326,1327,
 &end
#
# 8 PRO QG 10 VAL HA 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 116, 117,
 &end
#
# 51 THR HA 53 GLU QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 824,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 862, 863,
 &end
#
# 63 HIS HB3 64 ASP H 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat=1030,1042, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 79 VAL QQG 84 GLU QB 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=1250,1251,1252,1254,1255,1256,
 igr2=1326,1327,
 &end
#
# 80 LEU QQD 84 GLU QB 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
 igr1=1269,1270,1271,1273,1274,1275,
 igr2=1326,1327,
 &end
#
# 10 VAL HA 10 VAL QQG 3.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 144, 145, 146, 148, 149, 150,
 &end
#
# 83 ARG HA 84 GLU QB 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2=1326,1327,
 &end
#
# 95 PRO HA 96 PRO QD 3.05 
 &rst
  ixpk= 0, nxpk= 0, iat=1526,  -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
 igr2=1531,1532,
 &end
#
# 18 VAL QQG 60 VAL HA 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 9 ASP HA 10 VAL HA 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 140, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 99 HIS QB 99 HIS HD2 3.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr1=1571,1572,
 &end
#
# 95 PRO HA 96 PRO QD 3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1526,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1531,1532,
 &end
#
# 18 VAL HB 87 VAL HA 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 263,1382, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 7 PRO HA 10 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 144, 145, 146, 148, 149, 150,
 &end
#
# 7 PRO HA 10 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 144, 145, 146, 148, 149, 150,
 &end
#
# 6 PRO HA 7 PRO QD 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  94,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2=  99, 100,
 &end
#
# 31 ARG HA 34 PHE H 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 527, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 10 VAL QQG 11 GLU QB 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 144, 145, 146, 148, 149, 150,
 igr2= 158, 159,
 &end
#
# 66 ARG HA 69 GLU QB 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2=1126,1127,
 &end
#
# 21 LEU H 22 THR HA 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 322, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
# 31 ARG HA 33 VAL H 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 511, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 31 ARG HA 40 VAL QQG 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 31 ARG HA 60 VAL QQG 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 31 ARG HA 60 VAL QQG 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 31 ARG HA 31 ARG QG 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 470, 471,
 &end
#
# 18 VAL HA 86 ARG H 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 261,1356, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 30 LEU H 31 ARG HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 465, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 31 ARG HA 31 ARG QD 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 473, 474,
 &end
#
# 36 LYS H 36 LYS QD 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 572, 573,
 &end
#
# 36 LYS HB2 36 LYS QD 3.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2= 572, 573,
 &end
#
# 33 VAL QQG 36 LYS QD 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr1= 517, 518, 519, 521, 522, 523,
 igr2= 572, 573,
 &end
#
# 52 LYS HA 52 LYS QD 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 846, 847,
 &end
#
# 35 GLU HB3 36 LYS HA 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 564, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 65 LYS HA 67 ASP H 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat=1056,1100, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 65 LYS HA 65 LYS QD 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1064,1065,
 &end
#
# 65 LYS HA 69 GLU H 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=1056,1122, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 69 GLU HA 72 MET QG 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat=1124,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2=1166,1167,
 &end
#
# 72 MET HA 72 MET QG 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2=1166,1167,
 &end
#
# 32 ARG H 32 ARG QG 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 494, 495,
 &end
#
# 31 ARG QG 43 VAL QQG 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 470, 471,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 15 SER H 63 HIS HA 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 207,1027, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 69 GLU HA 70 ASP HA 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat=1124,1139, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 68 ALA HA 69 GLU HA 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1124, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 69 GLU HA 73 ASP H 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=1124,1176, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 72 MET HA 87 VAL QQG 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 14 THR H 63 HIS HA 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 193,1027, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 32 ARG HA 32 ARG QG 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 494, 495,
 &end
#
# 96 PRO QG 97 ASP HA 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1546, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1=1534,1535,
 &end
#
# 95 PRO HA 96 PRO QG 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat=1526,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=1534,1535,
 &end
#
# 22 THR QG2 23 TYR HA 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 336, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 326, 327, 328,
 &end
#
# 23 TYR HA 23 TYR QD 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 342, 351,
 &end
#
# 32 ARG HA 35 GLU QG 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 554, 555,
 &end
#
# 66 ARG QB 66 ARG QG 2.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
 igr1=1080,1081,
 igr2=1083,1084,
 &end
#
# 86 ARG HB2 86 ARG HG3 2.63 
 &rst
  ixpk= 0, nxpk= 0, iat=1360,1364, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13,  &end
#
# 21 LEU QQD 30 LEU QQD 3.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 310, 311, 312, 314, 315, 316,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 21 LEU QQD 60 VAL QQG 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.16, r4= 9.66,
 igr1= 310, 311, 312, 314, 315, 316,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 21 LEU QQD 57 PHE HA 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 310, 311, 312, 314, 315, 316,
 &end
#
# 21 LEU QQD 58 ALA HA 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 310, 311, 312, 314, 315, 316,
 &end
#
# 23 TYR HA 25 THR H 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 336, 379, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 36 LYS QG 37 TYR HA 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 586, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 569, 570,
 &end
#
# 36 LYS H 37 TYR HA 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 586, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 84 GLU H 86 ARG HG2 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat=1322,1363, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 20 ASN HD22 86 ARG HG2 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 296,1363, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 37 TYR HA 37 TYR QD 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 586,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2= 592, 601,
 &end
#
# 66 ARG HA 66 ARG QD 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1086,1087,
 &end
#
# 85 LEU QQD 86 ARG HG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1363, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1346,1347,1348,1350,1351,1352,
 &end
#
# 85 LEU QQD 86 ARG HG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1363, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1346,1347,1348,1350,1351,1352,
 &end
#
# 16 LEU QQD 62 PHE QD 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2=1013,1021,
 &end
#
# 16 LEU QQD 34 PHE QE 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2= 537, 541,
 &end
#
# 16 LEU QB 16 LEU QQD 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1= 222, 223,
 igr2= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 87 VAL HB 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1384, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 98 SER HA 98 SER QB 2.63 
 &rst
  ixpk= 0, nxpk= 0, iat=1558,  -1, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,
 igr2=1560,1561,
 &end
#
# 97 ASP QB 98 SER HA 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1558, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1548,1549,
 &end
#
# 10 VAL QQG 11 GLU HA 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 144, 145, 146, 148, 149, 150,
 &end
#
# 11 GLU HA 11 GLU QB 2.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,
 igr2= 158, 159,
 &end
#
# 58 ALA QB 59 PHE QB 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 939, 940, 941,
 igr2= 949, 950,
 &end
#
# 2 SER HA 3 TYR QD 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr2=  40,  49,
 &end
#
# 97 ASP H 98 SER HA 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat=1544,1558, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 35 GLU H 36 LYS HA 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 564, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 36 LYS HA 37 TYR QD 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2= 592, 601,
 &end
#
# 36 LYS HA 38 GLY H 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 564, 605, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 36 LYS HA 36 LYS HB2 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 564, 566, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
# 46 PRO QD 58 ALA QB 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 728, 729,
 igr2= 939, 940, 941,
 &end
#
# 45 ILE HA 45 ILE QD1 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 710,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 721, 722, 723,
 &end
#
# 11 GLU HA 13 MET H 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 156, 176, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 36 LYS HA 37 TYR HA 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 564, 586, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 35 GLU HA 37 TYR H 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 584, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 35 GLU HA 36 LYS HA 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 564, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 30 LEU HA 33 VAL QQG 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 517, 518, 519, 521, 522, 523,
 &end
#
# 35 GLU HA 40 VAL HB 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 640, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 28 ASP HA 30 LEU H 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 444, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 76 ASP HA 86 ARG H 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1356, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
# 39 ARG HA 40 VAL QQG 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 30 LEU HA 60 VAL QQG 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 39 ARG HA 40 VAL HA 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 638, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 72 MET HA 76 ASP HA 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1217, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
# 29 THR QG2 30 LEU HA 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 446, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 436, 437, 438,
 &end
#
# 30 LEU HA 30 LEU HG 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 451, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 85 LEU HA 85 LEU QQD 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat=1339,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 85 LEU QB 85 LEU QQD 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=1341,1342,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 75 MET QG 85 LEU QQD 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1=1205,1206,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 84 GLU QB 85 LEU QQD 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1326,1327,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 75 MET HA 85 LEU QQD 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 40 VAL QQG 62 PHE HA 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 39 ARG HA 39 ARG QD 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 622, 623,
 &end
#
# 70 ASP HA 72 MET H 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat=1139,1159, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 48 ASP HA 52 LYS HA 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 838, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
# 34 PHE HZ 85 LEU QQD 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 79 VAL HA 85 LEU QQD 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat=1246,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 13 MET QE 62 PHE HA 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 187, 188, 189,
 &end
#
# 62 PHE HA 68 ALA QB 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2=1116,1117,1118,
 &end
#
# 70 ASP HA 73 ASP H 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1139,1176, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 70 ASP HA 73 ASP QB 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat=1139,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2=1180,1181,
 &end
#
# 67 ASP HA 70 ASP QB 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat=1102,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2=1141,1142,
 &end
#
# 39 ARG HA 40 VAL QQG 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 70 ASP HA 71 ALA QB 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat=1139,  -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr2=1153,1154,1155,
 &end
#
# 48 ASP QB 52 LYS HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 769, 770,
 &end
#
# 52 LYS HA 52 LYS QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 849, 850,
 &end
#
# 67 ASP HA 71 ALA QB 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat=1102,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2=1153,1154,1155,
 &end
#
# 67 ASP HA 70 ASP H 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat=1102,1137, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 37 TYR QD 67 ASP HA 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1102, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 592, 601,
 &end
#
# 73 ASP HA 74 ALA QB 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat=1178,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1192,1193,1194,
 &end
#
# 66 ARG H 67 ASP HA 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat=1076,1102, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 62 PHE QE 87 VAL QQG 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1=1015,1019,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 72 MET H 73 ASP HA 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat=1159,1178, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 52 LYS HA 52 LYS QG 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 843, 844,
 &end
#
# 72 MET HB3 87 VAL QQG 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat=1164,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 87 VAL QQG 88 GLN H 3.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=1386,1387,1388,1390,1391,1392,
 &end
#
# 72 MET HB2 87 VAL QQG 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat=1163,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 59 PHE HA 59 PHE QR 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 953, 961, 955, 959,
 &end
#
# 58 ALA QB 59 PHE HA 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 939, 940, 941,
 &end
#
# 18 VAL QQG 59 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 30 LEU QQD 59 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 453, 454, 455, 457, 458, 459,
 &end
#
# 65 LYS QG 65 LYS QE 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1=1061,1062,
 igr2=1067,1068,
 &end
#
# 52 LYS QG 52 LYS QE 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 843, 844,
 igr2= 849, 850,
 &end
#
# 65 LYS H 65 LYS QG 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2=1061,1062,
 &end
#
# 87 VAL H 87 VAL QQG 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat=1380,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 34 PHE QE 87 VAL QQG 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 537, 541,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 60 VAL QQG 87 VAL QQG 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1= 971, 972, 973, 975, 976, 977,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 36 LYS QG 37 TYR HA 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 586, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 569, 570,
 &end
#
# 21 LEU HA 21 LEU QQD 3.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 310, 311, 312, 314, 315, 316,
 &end
#
# 84 GLU HA 84 GLU QB 2.91 
 &rst
  ixpk= 0, nxpk= 0, iat=1324,  -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
 igr2=1326,1327,
 &end
#
# 55 ARG HA 57 PHE H 5.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 886, 915, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
# 36 LYS H 36 LYS QG 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 569, 570,
 &end
#
# 79 VAL HA 80 LEU QQD 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1246,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 30 LEU QQD 31 ARG H 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 463, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 453, 454, 455, 457, 458, 459,
 &end
#
# 30 LEU QQD 60 VAL H 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1= 453, 454, 455, 457, 458, 459,
 &end
#
# 30 LEU QQD 34 PHE QD 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 453, 454, 455, 457, 458, 459,
 igr2= 535, 543,
 &end
#
# 30 LEU H 30 LEU QQD 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 30 LEU QQD 34 PHE QE 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 453, 454, 455, 457, 458, 459,
 igr2= 537, 541,
 &end
#
# 30 LEU HA 30 LEU QQD 3.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 30 LEU QQD 33 VAL HB 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr1= 453, 454, 455, 457, 458, 459,
 &end
#
# 30 LEU QQD 58 ALA H 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1= 453, 454, 455, 457, 458, 459,
 &end
#
# 80 LEU QQD 81 ASP H 3.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr1=1269,1270,1271,1273,1274,1275,
 &end
#
# 80 LEU H 80 LEU QQD 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 80 LEU QQD 83 ARG H 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1269,1270,1271,1273,1274,1275,
 &end
#
# 80 LEU QQD 81 ASP QB 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1=1269,1270,1271,1273,1274,1275,
 igr2=1283,1284,
 &end
#
# 80 LEU QQD 81 ASP QB 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1=1269,1270,1271,1273,1274,1275,
 igr2=1283,1284,
 &end
#
# 88 GLN QB 89 MET HA 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1400,1401,
 &end
#
# 68 ALA QB 89 MET HA 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1116,1117,1118,
 &end
#
# 89 MET HA 89 MET HG3 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat=1415,1421, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 24 ARG HA 24 ARG QG 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 362, 363,
 &end
#
# 24 ARG HA 24 ARG QD 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 365, 366,
 &end
#
# 24 ARG HA 24 ARG QG 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2= 362, 363,
 &end
#
# 26 SER HA 27 PRO HG2 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 408, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 26 SER HA 27 PRO HG3 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 409, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 85 LEU HA 86 ARG HB2 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=1339,1360, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 85 LEU HA 86 ARG HG2 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=1339,1363, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 52 LYS H 53 GLU HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 836, 860, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 52 LYS HA 53 GLU HA 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 838, 860, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 53 GLU HA 54 SER QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 860,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 877, 878,
 &end
#
# 16 LEU QQD 17 LYS HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 239, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 26 SER HA 58 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 939, 940, 941,
 &end
#
# 40 VAL HB 42 ASP HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 640, 661, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 42 ASP HA 43 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 661, 675, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 53 GLU HA 53 GLU QG 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 860,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 865, 866,
 &end
#
# 53 GLU HA 53 GLU QG 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 860,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 865, 866,
 &end
#
# 48 ASP HA 49 ARG H 3.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 777, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
# 48 ASP HA 51 THR QG2 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 767,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2= 828, 829, 830,
 &end
#
# 17 LYS HA 18 VAL QQG 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
 igr2= 265, 266, 267, 269, 270, 271,
 &end
#
# 17 LYS HA 87 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 17 LYS HA 59 PHE QR 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 953, 961, 955, 959,
 &end
#
# 16 LEU QQD 17 LYS H 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 89 MET H 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1413, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU HA 16 LEU QQD 3.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 72 MET HB3 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1164, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 68 ALA QB 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2=1116,1117,1118,
 &end
#
# 16 LEU QQD 90 ALA H 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1430, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 89 MET HA 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 68 ALA HA 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 89 MET HG3 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1421, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 17 LYS QB 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.22, r4= 8.72,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2= 241, 242,
 &end
#
# 80 LEU QQD 81 ASP HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1281, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1269,1270,1271,1273,1274,1275,
 &end
#
# 80 LEU QQD 81 ASP HA 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1281, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1269,1270,1271,1273,1274,1275,
 &end
#
# 22 THR H 22 THR QG2 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 326, 327, 328,
 &end
#
# 22 THR QG2 83 ARG H 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 326, 327, 328,
 &end
#
# 22 THR HA 22 THR QG2 3.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 326, 327, 328,
 &end
#
# 22 THR QG2 83 ARG QD 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1= 326, 327, 328,
 igr2=1308,1309,
 &end
#
# 22 THR QG2 24 ARG QB 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 326, 327, 328,
 igr2= 359, 360,
 &end
#
# 79 VAL QQG 81 ASP HA 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1281, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 22 THR QG2 24 ARG QG 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 326, 327, 328,
 igr2= 362, 363,
 &end
#
# 57 PHE HA 57 PHE QD 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 923, 931,
 &end
#
# 18 VAL QQG 19 ASP H 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 18 VAL H 18 VAL QQG 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 265, 266, 267, 269, 270, 271,
 &end
#
# 18 VAL QQG 58 ALA H 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 18 VAL QQG 34 PHE QE 3.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 265, 266, 267, 269, 270, 271,
 igr2= 537, 541,
 &end
#
# 18 VAL QQG 34 PHE HZ 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 18 VAL QQG 19 ASP HA 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 277, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 18 VAL HA 18 VAL QQG 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 261,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 265, 266, 267, 269, 270, 271,
 &end
#
# 18 VAL QQG 20 ASN HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 291, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 18 VAL QQG 57 PHE HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 84 GLU H 85 LEU QQD 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=1322,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 85 LEU H 85 LEU QQD 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 85 LEU HA 85 LEU QQD 2.97 
 &rst
  ixpk= 0, nxpk= 0, iat=1339,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 85 LEU QB 85 LEU QQD 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1=1341,1342,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 84 GLU QB 85 LEU QQD 3.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1=1326,1327,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 80 LEU HA 80 LEU QQD 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 71 ALA HA 73 ASP H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1151,1176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 34 PHE QE 85 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 537, 541,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 34 PHE HZ 85 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 84 GLU HA 85 LEU QQD 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat=1324,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 96 PRO QB 97 ASP HA 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1546, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1=1537,1538,
 &end
#
# 68 ALA HA 70 ASP H 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1137, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 71 ALA HA 74 ALA H 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat=1151,1188, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 71 ALA HA 75 MET QB 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=1202,1203,
 &end
#
# 87 VAL H 87 VAL QQG 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat=1380,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 19 ASP H 87 VAL QQG 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 86 ARG H 87 VAL QQG 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=1356,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 34 PHE QE 87 VAL QQG 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 537, 541,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 34 PHE HZ 87 VAL QQG 3.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 87 VAL HA 87 VAL QQG 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat=1382,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 18 VAL HA 87 VAL QQG 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 261,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 72 MET HA 87 VAL QQG 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 18 VAL QQG 87 VAL QQG 2.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 265, 266, 267, 269, 270, 271,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 34 PHE QD 40 VAL QQG 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 igr1= 535, 543,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 35 GLU HA 40 VAL QQG 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 40 VAL QQG 41 GLY H 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 40 VAL H 40 VAL QQG 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 40 VAL QQG 42 ASP H 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 40 VAL QQG 60 VAL HA 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 40 VAL HA 40 VAL QQG 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 31 ARG QD 40 VAL QQG 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 473, 474,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 31 ARG QD 40 VAL QQG 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr1= 473, 474,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 31 ARG QG 40 VAL QQG 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1= 470, 471,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 40 VAL QQG 60 VAL QQG 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 642, 643, 644, 646, 647, 648,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 40 VAL QQG 61 ARG H 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 981, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 76 ASP HA 86 ARG HA 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1358, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 86 ARG HA 86 ARG HG3 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat=1358,1364, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 86 ARG HA 86 ARG HG2 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat=1358,1363, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 62 PHE QE 68 ALA HA 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1015,1019,
 &end
#
# 68 ALA HA 89 MET QE 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=1114,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2=1424,1425,1426,
 &end
#
# 29 THR QG2 31 ARG H 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 463, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 436, 437, 438,
 &end
#
# 72 MET H 87 VAL QQG 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 87 VAL QQG 88 GLN H 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1=1386,1387,1388,1390,1391,1392,
 &end
#
# 72 MET HB3 87 VAL QQG 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat=1164,  -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 18 VAL HB 87 VAL QQG 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 263,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 75 MET H 87 VAL QQG 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 86 ARG HA 87 VAL QQG 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1358,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 76 ASP HA 87 VAL QQG 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat=1217,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 76 ASP HB3 87 VAL QQG 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat=1220,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 75 MET QE 87 VAL QQG 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1=1209,1210,1211,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 31 ARG H 43 VAL QQG 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 31 ARG HE 40 VAL QQG 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 4 GLY QA 5 ARG HA 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=  55,  56,
 &end
#
# 8 PRO QB 9 ASP HA 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 128, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 119, 120,
 &end
#
# 68 ALA HA 71 ALA H 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1149, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 26 SER H 29 THR QG2 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 436, 437, 438,
 &end
#
# 29 THR QG2 33 VAL H 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 436, 437, 438,
 &end
#
# 29 THR QG2 30 LEU H 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 444, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 436, 437, 438,
 &end
#
# 29 THR HA 29 THR QG2 2.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 436, 437, 438,
 &end
#
# 28 ASP QB 29 THR QG2 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 422, 423,
 igr2= 436, 437, 438,
 &end
#
# 29 THR QG2 33 VAL HB 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 436, 437, 438,
 &end
#
# 29 THR QG2 30 LEU QQD 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 436, 437, 438,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 14 THR H 14 THR QG2 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 199, 200, 201,
 &end
#
# 14 THR QG2 15 SER HA 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 209, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 199, 200, 201,
 &end
#
# 43 VAL QQG 44 TYR H 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 677, 678, 679, 681, 682, 683,
 &end
#
# 30 LEU H 43 VAL QQG 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 43 VAL H 43 VAL QQG 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 671,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 43 VAL QQG 44 TYR HA 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 689, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr1= 677, 678, 679, 681, 682, 683,
 &end
#
# 43 VAL HA 43 VAL QQG 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 27 PRO HA 43 VAL QQG 3.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 31 ARG QD 43 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 473, 474,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 30 LEU HB2 43 VAL QQG 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 34 PHE HA 40 VAL QQG 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 34 PHE H 40 VAL QQG 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 35 GLU H 40 VAL QQG 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 547,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 35 GLU HA 40 VAL QQG 3.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 31 ARG HA 40 VAL QQG 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 31 ARG QD 40 VAL QQG 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 473, 474,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 34 PHE HB2 40 VAL QQG 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 31 ARG QG 40 VAL QQG 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1= 470, 471,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 83 ARG HA 84 GLU HA 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat=1300,1324, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 97 ASP HA 97 ASP QB 2.59 
 &rst
  ixpk= 0, nxpk= 0, iat=1546,  -1, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,
 igr2=1548,1549,
 &end
#
# 73 ASP QB 74 ALA HA 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1190, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1=1180,1181,
 &end
#
# 14 THR HA 14 THR QG2 3.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 195,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2= 199, 200, 201,
 &end
#
# 14 THR QG2 65 LYS HA 3.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1056, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr1= 199, 200, 201,
 &end
#
# 14 THR QG2 65 LYS QE 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 199, 200, 201,
 igr2=1067,1068,
 &end
#
# 31 ARG H 33 VAL QQG 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 517, 518, 519, 521, 522, 523,
 &end
#
# 33 VAL QQG 35 GLU H 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 547, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1= 517, 518, 519, 521, 522, 523,
 &end
#
# 33 VAL QQG 34 PHE H 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 517, 518, 519, 521, 522, 523,
 &end
#
# 33 VAL H 33 VAL QQG 2.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,
 igr2= 517, 518, 519, 521, 522, 523,
 &end
#
# 33 VAL HA 33 VAL QQG 2.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
 igr2= 517, 518, 519, 521, 522, 523,
 &end
#
# 31 ARG HA 33 VAL QQG 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
 igr2= 517, 518, 519, 521, 522, 523,
 &end
#
# 32 ARG QD 33 VAL QQG 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 497, 498,
 igr2= 517, 518, 519, 521, 522, 523,
 &end
#
# 33 VAL QQG 36 LYS QE 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 517, 518, 519, 521, 522, 523,
 igr2= 575, 576,
 &end
#
# 31 ARG HA 43 VAL QQG 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 43 VAL H 43 VAL QQG 3.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 671,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 27 PRO HA 43 VAL QQG 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 31 ARG QD 43 VAL QQG 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1= 473, 474,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 43 VAL QQG 44 TYR H 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 677, 678, 679, 681, 682, 683,
 &end
#
# 42 ASP HA 43 VAL QQG 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 661,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 43 VAL HA 43 VAL QQG 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 31 ARG HA 43 VAL QQG 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 43 VAL QQG 60 VAL QQG 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 677, 678, 679, 681, 682, 683,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 43 VAL QQG 60 VAL QQG 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
 igr1= 677, 678, 679, 681, 682, 683,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 20 ASN HD22 83 ARG HA 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 296,1300, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 5 ARG HA 6 PRO QD 2.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2=  85,  86,
 &end
#
# 9 ASP HA 11 GLU QB 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2= 158, 159,
 &end
#
# 73 ASP H 74 ALA HA 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat=1176,1190, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 21 LEU HA 25 THR QG2 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 385, 386, 387,
 &end
#
# 25 THR HA 25 THR QG2 2.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
 igr2= 385, 386, 387,
 &end
#
# 29 THR QG2 33 VAL QQG 2.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr1= 436, 437, 438,
 igr2= 517, 518, 519, 521, 522, 523,
 &end
#
# 79 VAL QQG 84 GLU QG 3.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=1250,1251,1252,1254,1255,1256,
 igr2=1329,1330,
 &end
#
# 79 VAL QQG 84 GLU QG 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1250,1251,1252,1254,1255,1256,
 igr2=1329,1330,
 &end
#
# 42 ASP H 43 VAL QQG 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 5 ARG HA 5 ARG QD 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2=  70,  71,
 &end
#
# 20 ASN HA 21 LEU QQD 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2= 310, 311, 312, 314, 315, 316,
 &end
#
# 25 THR QG2 26 SER H 3.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 385, 386, 387,
 &end
#
# 25 THR H 25 THR QG2 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 385, 386, 387,
 &end
#
# 79 VAL QQG 85 LEU H 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 79 VAL QQG 84 GLU H 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 79 VAL H 79 VAL QQG 2.65 
 &rst
  ixpk= 0, nxpk= 0, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2=1250,1251,1252,1254,1255,1256,
 &end
#
# 79 VAL HA 79 VAL QQG 2.79 
 &rst
  ixpk= 0, nxpk= 0, iat=1246,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2=1250,1251,1252,1254,1255,1256,
 &end
#
# 30 LEU HB3 43 VAL QQG 2.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 79 VAL QQG 82 GLY HA2 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1293, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 21 LEU HA 21 LEU QQD 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 310, 311, 312, 314, 315, 316,
 &end
#
# 88 GLN HA 89 MET HG3 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat=1398,1421, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 72 MET QE 88 GLN HA 3.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1170,1171,1172,
 &end
#
# 21 LEU HA 21 LEU HG 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 308, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 21 LEU HA 58 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 939, 940, 941,
 &end
#
# 51 THR QG2 53 GLU H 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 858, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 828, 829, 830,
 &end
#
# 33 VAL QQG 34 PHE QD 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 517, 518, 519, 521, 522, 523,
 igr2= 535, 543,
 &end
#
# 33 VAL QQG 37 TYR QD 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 517, 518, 519, 521, 522, 523,
 igr2= 592, 601,
 &end
#
# 33 VAL QQG 34 PHE QE 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 517, 518, 519, 521, 522, 523,
 igr2= 537, 541,
 &end
#
# 33 VAL QQG 37 TYR QE 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 517, 518, 519, 521, 522, 523,
 igr2= 594, 599,
 &end
#
# 33 VAL QQG 34 PHE HA 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 517, 518, 519, 521, 522, 523,
 &end
#
# 33 VAL HA 33 VAL QQG 2.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2= 517, 518, 519, 521, 522, 523,
 &end
#
# 32 ARG QD 33 VAL QQG 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 497, 498,
 igr2= 517, 518, 519, 521, 522, 523,
 &end
#
# 18 VAL QQG 60 VAL H 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 18 VAL QQG 88 GLN H 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 18 VAL QQG 34 PHE QD 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 265, 266, 267, 269, 270, 271,
 igr2= 535, 543,
 &end
#
# 19 ASP HA 21 LEU H 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 301, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 51 THR H 51 THR QG2 2.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 822,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2= 828, 829, 830,
 &end
#
# 50 TYR H 51 THR QG2 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 828, 829, 830,
 &end
#
# 51 THR QG2 52 LYS H 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 828, 829, 830,
 &end
#
# 51 THR HA 51 THR QG2 2.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 824,  -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
 igr2= 828, 829, 830,
 &end
#
# 48 ASP QB 51 THR QG2 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 769, 770,
 igr2= 828, 829, 830,
 &end
#
# 51 THR QG2 53 GLU QG 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 828, 829, 830,
 igr2= 865, 866,
 &end
#
# 33 VAL QQG 34 PHE H 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 517, 518, 519, 521, 522, 523,
 &end
#
# 33 VAL QQG 36 LYS H 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 517, 518, 519, 521, 522, 523,
 &end
#
# 18 VAL QQG 19 ASP H 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 18 VAL H 18 VAL QQG 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 265, 266, 267, 269, 270, 271,
 &end
#
# 18 VAL QQG 34 PHE QE 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 265, 266, 267, 269, 270, 271,
 igr2= 537, 541,
 &end
#
# 18 VAL HA 18 VAL QQG 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 261,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 265, 266, 267, 269, 270, 271,
 &end
#
# 18 VAL QQG 87 VAL QQG 2.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1= 265, 266, 267, 269, 270, 271,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 19 ASP HA 57 PHE HA 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 917, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 20 ASN HA 83 ARG QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1305,1306,
 &end
#
# 18 VAL QQG 87 VAL H 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1380, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 16 LEU HA 87 VAL QQG 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 75 MET HA 78 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1200,1234, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 79 VAL QQG 85 LEU H 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 64 ASP HA 65 LYS HA 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat=1044,1056, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 79 VAL H 79 VAL QQG 3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1250,1251,1252,1254,1255,1256,
 &end
#
# 79 VAL QQG 82 GLY H 2.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1291, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 79 VAL HA 79 VAL QQG 3.17 
 &rst
  ixpk= 0, nxpk= 0, iat=1246,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1250,1251,1252,1254,1255,1256,
 &end
#
# 79 VAL QQG 84 GLU HA 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1324, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 79 VAL QQG 83 ARG QG 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1=1250,1251,1252,1254,1255,1256,
 igr2=1305,1306,
 &end
#
# 60 VAL H 60 VAL QQG 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 34 PHE QD 60 VAL QQG 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 535, 543,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 34 PHE QD 60 VAL QQG 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 535, 543,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 34 PHE HA 60 VAL QQG 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 16 LEU HA 89 MET QE 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2=1424,1425,1426,
 &end
#
# 14 THR QG2 16 LEU HA 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 199, 200, 201,
 &end
#
# 16 LEU HA 62 PHE H 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 220,1005, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 59 PHE H 60 VAL QQG 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 60 VAL HA 60 VAL QQG 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 60 VAL HA 60 VAL QQG 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 58 ALA H 60 VAL QQG 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 60 VAL QQG 61 ARG H 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 981, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 971, 972, 973, 975, 976, 977,
 &end
#
# 60 VAL QQG 62 PHE QE 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 971, 972, 973, 975, 976, 977,
 igr2=1015,1019,
 &end
#
# 34 PHE HB3 60 VAL QQG 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 43 VAL HB 60 VAL QQG 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 675,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 89 MET HA 90 ALA HA 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat=1415,1432, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 10 VAL QQG 11 GLU H 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 144, 145, 146, 148, 149, 150,
 &end
#
# 10 VAL H 10 VAL QQG 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 144, 145, 146, 148, 149, 150,
 &end
#
# 8 PRO QG 10 VAL QQG 3.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 116, 117,
 igr2= 144, 145, 146, 148, 149, 150,
 &end
#
# 70 ASP QB 74 ALA QB 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr1=1141,1142,
 igr2=1192,1193,1194,
 &end
#
# 74 ALA QB 75 MET H 3.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=1192,1193,1194,
 &end
#
# 74 ALA H 74 ALA QB 2.73 
 &rst
  ixpk= 0, nxpk= 0, iat=1188,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2=1192,1193,1194,
 &end
#
# 37 TYR QD 74 ALA QB 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 592, 601,
 igr2=1192,1193,1194,
 &end
#
# 70 ASP HA 74 ALA QB 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat=1139,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=1192,1193,1194,
 &end
#
# 71 ALA HA 74 ALA QB 3.15 
 &rst
  ixpk= 0, nxpk= 0, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2=1192,1193,1194,
 &end
#
# 74 ALA QB 75 MET QB 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1=1192,1193,1194,
 igr2=1202,1203,
 &end
#
# 74 ALA QB 75 MET QE 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1=1192,1193,1194,
 igr2=1209,1210,1211,
 &end
#
# 71 ALA QB 74 ALA QB 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1=1153,1154,1155,
 igr2=1192,1193,1194,
 &end
#
# 72 MET HA 74 ALA QB 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2=1192,1193,1194,
 &end
#
# 78 ALA QB 79 VAL HA 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1246, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1=1238,1239,1240,
 &end
#
# 78 ALA QB 85 LEU QQD 3.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1=1238,1239,1240,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 37 TYR QD 71 ALA QB 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 592, 601,
 igr2=1153,1154,1155,
 &end
#
# 62 PHE QE 71 ALA QB 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=1015,1019,
 igr2=1153,1154,1155,
 &end
#
# 34 PHE QE 71 ALA QB 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 537, 541,
 igr2=1153,1154,1155,
 &end
#
# 71 ALA QB 72 MET HA 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1161, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1153,1154,1155,
 &end
#
# 71 ALA QB 72 MET HB3 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1164, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1=1153,1154,1155,
 &end
#
# 71 ALA QB 75 MET QB 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1=1153,1154,1155,
 igr2=1202,1203,
 &end
#
# 16 LEU QB 71 ALA QB 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1= 222, 223,
 igr2=1153,1154,1155,
 &end
#
# 10 VAL QQG 13 MET QE 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88,
 igr1= 144, 145, 146, 148, 149, 150,
 igr2= 187, 188, 189,
 &end
#
# 8 PRO QG 10 VAL QQG 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1= 116, 117,
 igr2= 144, 145, 146, 148, 149, 150,
 &end
#
# 13 MET QE 63 HIS HE1 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 187, 188, 189,
 &end
#
# 13 MET QE 41 GLY QA 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 187, 188, 189,
 igr2= 654, 655,
 &end
#
# 13 MET QE 63 HIS HB2 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1029, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 187, 188, 189,
 &end
#
# 95 PRO QG 96 PRO QD 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=1520,1521,
 igr2=1531,1532,
 &end
#
# 95 PRO QB 96 PRO QD 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1=1523,1524,
 igr2=1531,1532,
 &end
#
# 95 PRO QB 96 PRO QD 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=1523,1524,
 igr2=1531,1532,
 &end
#
# 94 ARG H 95 PRO QD 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=1492,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2=1517,1518,
 &end
#
# 68 ALA QB 69 GLU HA 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1124, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1=1116,1117,1118,
 &end
#
# 65 LYS HB2 68 ALA QB 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=1116,1117,1118,
 &end
#
# 8 PRO QD 10 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 113, 114,
 igr2= 144, 145, 146, 148, 149, 150,
 &end
#
# 8 PRO QD 10 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 113, 114,
 igr2= 144, 145, 146, 148, 149, 150,
 &end
#
# 8 PRO QD 10 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 113, 114,
 igr2= 144, 145, 146, 148, 149, 150,
 &end
#
# 16 LEU QQD 90 ALA QB 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2=1434,1435,1436,
 &end
#
# 59 PHE QR 90 ALA QB 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 953, 961, 955, 959,
 igr2=1434,1435,1436,
 &end
#
# 88 GLN HA 89 MET QE 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat=1398,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1424,1425,1426,
 &end
#
# 65 LYS QD 89 MET QE 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1064,1065,
 igr2=1424,1425,1426,
 &end
#
# 72 MET QE 89 MET H 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1413, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1=1170,1171,1172,
 &end
#
# 69 GLU H 72 MET QE 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=1170,1171,1172,
 &end
#
# 72 MET QE 73 ASP H 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1176, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1170,1171,1172,
 &end
#
# 72 MET H 72 MET QE 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2=1170,1171,1172,
 &end
#
# 89 MET H 89 MET QE 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2=1424,1425,1426,
 &end
#
# 69 GLU H 89 MET QE 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2=1424,1425,1426,
 &end
#
# 46 PRO QD 58 ALA HA 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 728, 729,
 &end
#
# 45 ILE HB 58 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 712, 937, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 46 PRO QG 58 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 731, 732,
 &end
#
# 45 ILE HA 45 ILE QG2 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 710,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 714, 715, 716,
 &end
#
# 45 ILE H 45 ILE QG2 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 708,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 714, 715, 716,
 &end
#
# 45 ILE QG2 54 SER QB 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 714, 715, 716,
 igr2= 877, 878,
 &end
#
# 45 ILE QG2 45 ILE QG1 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 714, 715, 716,
 igr2= 718, 719,
 &end
#
# 45 ILE QG2 55 ARG H 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 884, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 714, 715, 716,
 &end
#
# 45 ILE QG2 46 PRO QD 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 714, 715, 716,
 igr2= 728, 729,
 &end
#
# 45 ILE QG2 46 PRO QD 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr1= 714, 715, 716,
 igr2= 728, 729,
 &end
#
# 75 MET HA 75 MET QE 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2=1209,1210,1211,
 &end
#
# 40 VAL HA 41 GLY QA 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 654, 655,
 &end
#
# 13 MET QE 41 GLY QA 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 187, 188, 189,
 igr2= 654, 655,
 &end
#
# 27 PRO HD2 45 ILE QD1 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 721, 722, 723,
 &end
#
# 11 GLU QB 12 GLY QA 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 158, 159,
 igr2= 171, 172,
 &end
#
# 19 ASP QB 86 ARG HB2 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1360, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 279, 280,
 &end
#
# 38 GLY QA 62 PHE QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 607, 608,
 igr2=1015,1019,
 &end
#
# 39 ARG QG 64 ASP HB2 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1046, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 619, 620,
 &end
#
# 48 ASP H 48 ASP QB 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 765,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 769, 770,
 &end
#
# 24 ARG QB 24 ARG QD 3.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 359, 360,
 igr2= 365, 366,
 &end
#
# 24 ARG QD 25 THR H 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 365, 366,
 &end
#
# 63 HIS HA 64 ASP HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1027,1046, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 29 THR HB 32 ARG QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 497, 498,
 &end
#
# 76 ASP HA 86 ARG QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1217,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1366,1367,
 &end
#
# 49 ARG QB 49 ARG QD 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1= 781, 782,
 igr2= 787, 788,
 &end
#
# 31 ARG QD 39 ARG HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 473, 474,
 &end
#
# 86 ARG HG3 86 ARG QD 2.93 
 &rst
  ixpk= 0, nxpk= 0, iat=1364,  -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr2=1366,1367,
 &end
#
# 86 ARG H 86 ARG QD 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat=1356,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=1366,1367,
 &end
#
# 21 LEU H 83 ARG QD 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2=1308,1309,
 &end
#
# 20 ASN HD21 83 ARG QD 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2=1308,1309,
 &end
#
# 20 ASN HD22 83 ARG QD 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 296,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2=1308,1309,
 &end
#
# 83 ARG QB 83 ARG QD 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1=1302,1303,
 igr2=1308,1309,
 &end
#
# 30 LEU HB2 31 ARG HA 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 465, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 62 PHE HB3 68 ALA QB 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat=1010,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2=1116,1117,1118,
 &end
#
# 30 LEU HB3 30 LEU QD1 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 453, 454, 455,
 &end
#
# 30 LEU HB2 60 VAL QQG 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 30 LEU HB2 58 ALA QB 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 939, 940, 941,
 &end
#
# 30 LEU HB2 30 LEU QD2 3.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 457, 458, 459,
 &end
#
# 75 MET QB 76 ASP HB3 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1220, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1=1202,1203,
 &end
#
# 76 ASP HB3 87 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1220,1384, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 76 ASP HB2 87 VAL H 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=1219,1380, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 76 ASP HB2 87 VAL QQG 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat=1219,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 28 ASP QB 31 ARG QB 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 422, 423,
 igr2= 467, 468,
 &end
#
# 72 MET H 73 ASP QB 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2=1180,1181,
 &end
#
# 73 ASP QB 74 ALA QB 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1=1180,1181,
 igr2=1192,1193,1194,
 &end
#
# 67 ASP QB 68 ALA H 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1=1104,1105,
 &end
#
# 73 ASP QB 74 ALA QB 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1180,1181,
 igr2=1192,1193,1194,
 &end
#
# 9 ASP QB 10 VAL H 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 130, 131,
 &end
#
# 70 ASP QB 71 ALA QB 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1=1141,1142,
 igr2=1153,1154,1155,
 &end
#
# 22 THR QG2 81 ASP QB 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1= 326, 327, 328,
 igr2=1283,1284,
 &end
#
# 22 THR QG2 81 ASP QB 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 326, 327, 328,
 igr2=1283,1284,
 &end
#
# 37 TYR HB2 62 PHE QE 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1015,1019,
 &end
#
# 37 TYR HB2 71 ALA QB 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2=1153,1154,1155,
 &end
#
# 22 THR HB 24 ARG H 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 355, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 50 TYR HB2 51 THR QG2 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 805,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 828, 829, 830,
 &end
#
# 51 THR HB 53 GLU QB 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 826,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 862, 863,
 &end
#
# 20 ASN HB2 21 LEU QQD 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
 igr2= 310, 311, 312, 314, 315, 316,
 &end
#
# 65 LYS QG 69 GLU HG2 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=1061,1062,
 &end
#
# 68 ALA QB 69 GLU HG3 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1130, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1=1116,1117,1118,
 &end
#
# 25 THR QG2 29 THR HB 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 385, 386, 387,
 &end
#
# 29 THR HB 33 VAL QQG 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 517, 518, 519, 521, 522, 523,
 &end
#
# 29 THR HB 30 LEU QD2 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 457, 458, 459,
 &end
#
# 22 THR H 25 THR HB 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 383, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 21 LEU HB2 25 THR HB 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 383, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 53 GLU QG 54 SER QB 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 865, 866,
 igr2= 877, 878,
 &end
#
# 80 LEU HA 84 GLU QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1329,1330,
 &end
#
# 83 ARG HA 84 GLU QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1329,1330,
 &end
#
# 84 GLU QG 85 LEU H 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1=1329,1330,
 &end
#
# 51 THR QG2 53 GLU QG 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr1= 828, 829, 830,
 igr2= 865, 866,
 &end
#
# 84 GLU H 84 GLU QG 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=1322,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2=1329,1330,
 &end
#
# 29 THR HA 32 ARG QB 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 491, 492,
 &end
#
# 29 THR HA 33 VAL QQG 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 517, 518, 519, 521, 522, 523,
 &end
#
# 43 VAL QQG 60 VAL HB 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 969, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 677, 678, 679, 681, 682, 683,
 &end
#
# 60 VAL H 60 VAL HB 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 965, 969, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 13 MET QB 13 MET QE 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 180, 181,
 igr2= 187, 188, 189,
 &end
#
# 27 PRO HA 45 ILE QD1 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 721, 722, 723,
 &end
#
# 88 GLN QB 89 MET H 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1413, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1400,1401,
 &end
#
# 32 ARG QG 33 VAL HA 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 494, 495,
 &end
#
# 32 ARG QB 33 VAL HA 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 491, 492,
 &end
#
# 16 LEU QQD 88 GLN QG 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2=1403,1404,
 &end
#
# 72 MET HB3 72 MET QE 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat=1164,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1170,1171,1172,
 &end
#
# 39 ARG HA 40 VAL HB 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 640, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 16 LEU QQD 72 MET HB2 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1163, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 31 ARG QG 40 VAL HB 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 470, 471,
 &end
#
# 40 VAL HB 41 GLY QA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 654, 655,
 &end
#
# 72 MET HB2 73 ASP HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1163,1178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 26 SER QB 45 ILE QD1 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 397, 398,
 igr2= 721, 722, 723,
 &end
#
# 24 ARG QG 25 THR HA 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 362, 363,
 &end
#
# 25 THR QG2 26 SER QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 385, 386, 387,
 igr2= 397, 398,
 &end
#
# 26 SER H 26 SER QB 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 397, 398,
 &end
#
# 15 SER H 15 SER QB 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 211, 212,
 &end
#
# 26 SER QB 28 ASP H 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 397, 398,
 &end
#
# 54 SER QB 55 ARG H 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 884, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 877, 878,
 &end
#
# 54 SER QB 55 ARG H 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 884, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 877, 878,
 &end
#
# 10 VAL HB 13 MET QE 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 142,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 187, 188, 189,
 &end
#
# 98 SER QB 99 HIS H 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1567, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1560,1561,
 &end
#
# 96 PRO HA 97 ASP QB 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat=1540,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1548,1549,
 &end
#
# 72 MET QG 73 ASP HA 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1178, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1=1166,1167,
 &end
#
# 34 PHE HA 71 ALA QB 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1153,1154,1155,
 &end
#
# 34 PHE HA 34 PHE QD 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2= 535, 543,
 &end
#
# 34 PHE HA 37 TYR QD 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 592, 601,
 &end
#
# 8 PRO HA 9 ASP HA 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 128, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 50 TYR H 51 THR HA 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 801, 824, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 31 ARG H 32 ARG QB 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 491, 492,
 &end
#
# 32 ARG QB 35 GLU H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 547, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 491, 492,
 &end
#
# 43 VAL HA 60 VAL HB 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 673, 969, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 40 VAL HA 42 ASP H 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 638, 659, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 40 VAL HA 62 PHE QE 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2=1015,1019,
 &end
#
# 40 VAL HA 40 VAL QQG 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 31 ARG HA 32 ARG QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 491, 492,
 &end
#
# 84 GLU QB 85 LEU HA 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1339, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1=1326,1327,
 &end
#
# 40 VAL HA 63 HIS HD2 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 638,1038, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 20 ASN HD21 84 GLU QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1326,1327,
 &end
#
# 23 TYR QE 24 ARG QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 344, 349,
 igr2= 359, 360,
 &end
#
# 43 VAL QQG 60 VAL HA 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 677, 678, 679, 681, 682, 683,
 &end
#
# 99 HIS QB 99 HIS HD2 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1=1571,1572,
 &end
#
# 84 GLU H 84 GLU QB 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat=1322,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2=1326,1327,
 &end
#
# 87 VAL HA 87 VAL QQG 3.44 
 &rst
  ixpk= 0, nxpk= 0, iat=1382,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 7 PRO HA 8 PRO QD 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2= 113, 114,
 &end
#
# 7 PRO HA 8 PRO QD 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2= 113, 114,
 &end
#
# 7 PRO HA 8 PRO QG 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2= 116, 117,
 &end
#
# 18 VAL HA 88 GLN H 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 261,1396, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 18 VAL HA 87 VAL QQG 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 261,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 6 PRO HA 7 PRO QD 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  94,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  99, 100,
 &end
#
# 31 ARG HA 31 ARG QG 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 470, 471,
 &end
#
# 35 GLU H 35 GLU HB3 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 552, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 35 GLU H 35 GLU HB2 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 551, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 65 LYS QG 69 GLU QB 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1=1061,1062,
 igr2=1126,1127,
 &end
#
# 33 VAL HA 36 LYS QD 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 572, 573,
 &end
#
# 18 VAL HA 34 PHE QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 261,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 537, 541,
 &end
#
# 18 VAL HA 34 PHE HZ 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 261, 539, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 22 THR HA 24 ARG H 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 355, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 36 LYS QD 37 TYR QE 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 572, 573,
 igr2= 594, 599,
 &end
#
# 22 THR HA 23 TYR QD 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 342, 351,
 &end
#
# 27 PRO HG3 45 ILE QG2 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 409,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 714, 715, 716,
 &end
#
# 52 LYS QB 52 LYS QD 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 840, 841,
 igr2= 846, 847,
 &end
#
# 26 SER QB 27 PRO HG3 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 409, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 397, 398,
 &end
#
# 13 MET HA 63 HIS HA 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 178,1027, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
# 13 MET QB 63 HIS HA 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 180, 181,
 &end
#
# 13 MET QB 63 HIS HA 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 180, 181,
 &end
#
# 65 LYS HA 89 MET QE 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2=1424,1425,1426,
 &end
#
# 65 LYS HA 68 ALA QB 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2=1116,1117,1118,
 &end
#
# 69 GLU HA 72 MET HB3 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat=1124,1164, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 32 ARG HA 32 ARG QG 3.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 494, 495,
 &end
#
# 31 ARG QG 32 ARG H 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 470, 471,
 &end
#
# 31 ARG H 31 ARG QG 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 470, 471,
 &end
#
# 31 ARG QG 43 VAL QQG 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 470, 471,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 50 TYR HA 51 THR QG2 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2= 828, 829, 830,
 &end
#
# 72 MET HA 73 ASP HA 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1178, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 32 ARG QB 32 ARG QG 2.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 491, 492,
 igr2= 494, 495,
 &end
#
# 29 THR HA 32 ARG QG 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 494, 495,
 &end
#
# 80 LEU HG 81 ASP H 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat=1267,1279, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 22 THR HA 83 ARG QG 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1305,1306,
 &end
#
# 21 LEU QQD 30 LEU H 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 444, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1= 310, 311, 312, 314, 315, 316,
 &end
#
# 21 LEU QQD 58 ALA H 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 310, 311, 312, 314, 315, 316,
 &end
#
# 36 LYS HB2 37 TYR HA 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 566, 586, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 20 ASN HD21 86 ARG HG3 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 297,1364, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 86 ARG HG2 87 VAL H 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat=1363,1380, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 86 ARG HG2 86 ARG HE 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat=1363,1369, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 83 ARG H 83 ARG QG 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1305,1306,
 &end
#
# 37 TYR HA 71 ALA QB 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 586,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2=1153,1154,1155,
 &end
#
# 66 ARG HA 69 GLU H 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1122, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 66 ARG HA 66 ARG QG 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,  -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr2=1083,1084,
 &end
#
# 86 ARG H 86 ARG HG2 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat=1356,1363, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 16 LEU QQD 34 PHE QD 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2= 535, 543,
 &end
#
# 16 LEU HA 16 LEU QQD 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU H 16 LEU QQD 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 72 MET H 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 88 GLN H 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 62 PHE QE 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2=1015,1019,
 &end
#
# 16 LEU QQD 68 ALA HA 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 72 MET HB3 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1164, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 2 SER HA 2 SER QB 2.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,
 igr2=  25,  26,
 &end
#
# 11 GLU HA 11 GLU QG 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr2= 161, 162,
 &end
#
# 57 PHE HA 58 ALA QB 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 939, 940, 941,
 &end
#
# 25 THR HB 58 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 939, 940, 941,
 &end
#
# 30 LEU HA 58 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 939, 940, 941,
 &end
#
# 79 VAL HA 80 LEU QQD 3.34 
 &rst
  ixpk= 0, nxpk= 0, iat=1246,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 80 LEU QQD 81 ASP QB 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38,
 igr1=1269,1270,1271,1273,1274,1275,
 igr2=1283,1284,
 &end
#
# 30 LEU HB3 58 ALA QB 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 939, 940, 941,
 &end
#
# 45 ILE HA 59 PHE H 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 710, 945, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 45 ILE HA 58 ALA HA 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 710, 937, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 45 ILE HA 58 ALA QB 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 710,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 939, 940, 941,
 &end
#
# 45 ILE HA 46 PRO QD 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 710,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 728, 729,
 &end
#
# 57 PHE H 58 ALA QB 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2= 939, 940, 941,
 &end
#
# 58 ALA H 58 ALA QB 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 939, 940, 941,
 &end
#
# 46 PRO QD 58 ALA QB 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 728, 729,
 igr2= 939, 940, 941,
 &end
#
# 57 PHE HB2 58 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 939, 940, 941,
 &end
#
# 24 ARG H 24 ARG QG 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 362, 363,
 &end
#
# 30 LEU H 30 LEU QD1 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2= 453, 454, 455,
 &end
#
# 30 LEU QD1 31 ARG H 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 463, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 453, 454, 455,
 &end
#
# 30 LEU QD1 60 VAL H 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 453, 454, 455,
 &end
#
# 30 LEU QD1 34 PHE QE 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 453, 454, 455,
 igr2= 537, 541,
 &end
#
# 30 LEU HA 30 LEU QD1 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 453, 454, 455,
 &end
#
# 30 LEU HB2 30 LEU QD1 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 453, 454, 455,
 &end
#
# 30 LEU QD1 43 VAL QQG 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1= 453, 454, 455,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 30 LEU QD1 58 ALA QB 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 453, 454, 455,
 igr2= 939, 940, 941,
 &end
#
# 30 LEU HA 34 PHE QD 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 535, 543,
 &end
#
# 30 LEU HA 30 LEU QD2 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 457, 458, 459,
 &end
#
# 85 LEU QQD 86 ARG H 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1356, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1346,1347,1348,1350,1351,1352,
 &end
#
# 30 LEU QD1 33 VAL HB 5.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1= 453, 454, 455,
 &end
#
# 62 PHE HA 63 HIS HA 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat=1007,1027, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 28 ASP HA 43 VAL QQG 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 75 MET QB 85 LEU QQD 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1=1202,1203,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 85 LEU QB 85 LEU QQD 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1=1341,1342,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 75 MET QE 85 LEU QQD 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1=1209,1210,1211,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 34 PHE QE 85 LEU QQD 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
 igr1= 537, 541,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 70 ASP HA 74 ALA H 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=1139,1188, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 66 ARG QB 67 ASP HA 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1102, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1=1080,1081,
 &end
#
# 52 LYS HA 52 LYS QG 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 843, 844,
 &end
#
# 21 LEU QQD 58 ALA QB 3.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 310, 311, 312, 314, 315, 316,
 igr2= 939, 940, 941,
 &end
#
# 59 PHE HA 60 VAL QQG 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 55 ARG HA 57 PHE QD 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 923, 931,
 &end
#
# 33 VAL HA 36 LYS QG 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 569, 570,
 &end
#
# 80 LEU QB 80 LEU QQD 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1=1264,1265,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 21 LEU QQD 25 THR QG2 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 310, 311, 312, 314, 315, 316,
 igr2= 385, 386, 387,
 &end
#
# 21 LEU QQD 30 LEU HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 310, 311, 312, 314, 315, 316,
 &end
#
# 30 LEU QD2 34 PHE QE 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 457, 458, 459,
 igr2= 537, 541,
 &end
#
# 30 LEU QD2 60 VAL QQG 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 457, 458, 459,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 83 ARG H 84 GLU HA 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1324, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 21 LEU QQD 25 THR HB 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 310, 311, 312, 314, 315, 316,
 &end
#
# 30 LEU QD2 34 PHE QD 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 457, 458, 459,
 igr2= 535, 543,
 &end
#
# 30 LEU HB3 30 LEU QD2 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 457, 458, 459,
 &end
#
# 44 TYR HA 44 TYR QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 697, 702,
 &end
#
# 89 MET HA 90 ALA QB 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat=1415,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2=1434,1435,1436,
 &end
#
# 16 LEU HA 89 MET HA 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 220,1415, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 84 GLU HA 84 GLU QG 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat=1324,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2=1329,1330,
 &end
#
# 26 SER HA 30 LEU QD2 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr2= 457, 458, 459,
 &end
#
# 26 SER HA 45 ILE QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 714, 715, 716,
 &end
#
# 87 VAL QQG 89 MET HA 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1=1386,1387,1388,1390,1391,1392,
 &end
#
# 80 LEU H 84 GLU HA 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1324, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 23 TYR HB2 24 ARG HA 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 357, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 26 SER HA 27 PRO HD2 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 405, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 26 SER HA 27 PRO HD3 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 406, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 17 LYS HA 90 ALA QB 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2=1434,1435,1436,
 &end
#
# 25 THR QG2 26 SER HA 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 385, 386, 387,
 &end
#
# 26 SER HA 45 ILE QG1 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2= 718, 719,
 &end
#
# 20 ASN HB3 85 LEU HA 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,1339, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 48 ASP HA 49 ARG HA 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 779, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 53 GLU HA 54 SER QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 860,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 877, 878,
 &end
#
# 16 LEU H 16 LEU QQD 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 69 GLU HA 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1124, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QB 16 LEU QQD 3.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 222, 223,
 igr2= 227, 228, 229, 231, 232, 233,
 &end
#
# 80 LEU HA 81 ASP HA 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1281, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 16 LEU QQD 88 GLN H 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 21 LEU HG 57 PHE HA 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 917, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 81 ASP HA 82 GLY HA2 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat=1281,1293, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 18 VAL QQG 87 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1382, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 18 VAL QQG 60 VAL HB 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 969, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 76 ASP HA 85 LEU QQD 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=1217,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 85 LEU QQD 86 ARG H 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1356, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=1346,1347,1348,1350,1351,1352,
 &end
#
# 20 ASN HB2 85 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 20 ASN H 57 PHE HA 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 917, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 95 PRO QB 97 ASP HA 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1546, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=1523,1524,
 &end
#
# 37 TYR QD 71 ALA HA 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 592, 601,
 &end
#
# 34 PHE QD 71 ALA HA 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 535, 543,
 &end
#
# 76 ASP HB2 87 VAL QQG 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat=1219,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 72 MET QE 87 VAL QQG 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84,
 igr1=1170,1171,1172,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 85 LEU QB 87 VAL QQG 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
 igr1=1341,1342,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 20 ASN HB3 85 LEU QQD 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 31 ARG H 40 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 35 GLU H 40 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 547,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 40 VAL QQG 41 GLY QA 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr1= 642, 643, 644, 646, 647, 648,
 igr2= 654, 655,
 &end
#
# 20 ASN HA 21 LEU HA 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 303, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 29 THR H 29 THR QG2 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 436, 437, 438,
 &end
#
# 29 THR QG2 32 ARG QB 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 436, 437, 438,
 igr2= 491, 492,
 &end
#
# 29 THR QG2 30 LEU QD2 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1= 436, 437, 438,
 igr2= 457, 458, 459,
 &end
#
# 29 THR QG2 32 ARG QG 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 436, 437, 438,
 igr2= 494, 495,
 &end
#
# 14 THR QG2 68 ALA H 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 199, 200, 201,
 &end
#
# 31 ARG QB 33 VAL QQG 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1= 467, 468,
 igr2= 517, 518, 519, 521, 522, 523,
 &end
#
# 40 VAL QQG 42 ASP H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 34 PHE HB3 40 VAL QQG 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 20 ASN HD21 83 ARG HA 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 297,1300, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 5 ARG HA 5 ARG QG 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2=  67,  68,
 &end
#
# 9 ASP HA 13 MET QE 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2= 187, 188, 189,
 &end
#
# 20 ASN HA 86 ARG HB2 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 289,1360, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 14 THR QG2 89 MET HG2 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 199, 200, 201,
 &end
#
# 14 THR QG2 72 MET QE 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1= 199, 200, 201,
 igr2=1170,1171,1172,
 &end
#
# 25 THR QG2 30 LEU QD2 2.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 385, 386, 387,
 igr2= 457, 458, 459,
 &end
#
# 79 VAL QQG 80 LEU H 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 79 VAL QQG 84 GLU HA 3.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1324, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 78 ALA QB 79 VAL QQG 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.59, r4= 8.09,
 igr1=1238,1239,1240,
 igr2=1250,1251,1252,1254,1255,1256,
 &end
#
# 79 VAL QQG 83 ARG QG 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1=1250,1251,1252,1254,1255,1256,
 igr2=1305,1306,
 &end
#
# 31 ARG H 43 VAL QQG 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 43 VAL QQG 61 ARG H 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 981, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr1= 677, 678, 679, 681, 682, 683,
 &end
#
# 88 GLN HA 89 MET HG2 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=1398,1420, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 88 GLN HA 88 GLN QG 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat=1398,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2=1403,1404,
 &end
#
# 87 VAL QQG 88 GLN HA 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1386,1387,1388,1390,1391,1392,
 &end
#
# 19 ASP HA 20 ASN HA 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 289, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 21 LEU HA 22 THR QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 326, 327, 328,
 &end
#
# 61 ARG HA 61 ARG HE 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 983, 994, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 19 ASP HA 57 PHE HB3 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 920, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 16 LEU QQD 88 GLN HA 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 17 LYS HA 18 VAL QQG 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 265, 266, 267, 269, 270, 271,
 &end
#
# 18 VAL QQG 87 VAL HA 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1382, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 16 LEU HA 90 ALA QB 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=1434,1435,1436,
 &end
#
# 74 ALA QB 75 MET HA 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1200, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1=1192,1193,1194,
 &end
#
# 75 MET HA 75 MET QG 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2=1205,1206,
 &end
#
# 75 MET HA 78 ALA QB 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=1238,1239,1240,
 &end
#
# 79 VAL QQG 81 ASP H 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 78 ALA HA 79 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1236,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1250,1251,1252,1254,1255,1256,
 &end
#
# 79 VAL QQG 84 GLU QG 5.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,
 igr1=1250,1251,1252,1254,1255,1256,
 igr2=1329,1330,
 &end
#
# 79 VAL QQG 80 LEU H 3.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 79 VAL QQG 82 GLY HA2 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1293, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 17 LYS QB 18 VAL QQG 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
 igr1= 241, 242,
 igr2= 265, 266, 267, 269, 270, 271,
 &end
#
# 64 ASP HA 66 ARG H 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat=1044,1076, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 64 ASP HA 65 LYS HB3 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat=1044,1059, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 30 LEU QD1 60 VAL QQG 3.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 453, 454, 455,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 34 PHE HB2 60 VAL QQG 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 34 PHE HB2 60 VAL QQG 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 34 PHE H 60 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 34 PHE H 60 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 59 PHE HZ 90 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 957,1432, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 10 VAL QQG 11 GLU HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 144, 145, 146, 148, 149, 150,
 &end
#
# 10 VAL QQG 63 HIS HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1030, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 144, 145, 146, 148, 149, 150,
 &end
#
# 10 VAL QQG 61 ARG QD 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 144, 145, 146, 148, 149, 150,
 igr2= 991, 992,
 &end
#
# 77 GLY QA 78 ALA QB 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1=1229,1230,
 igr2=1238,1239,1240,
 &end
#
# 78 ALA QB 85 LEU H 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1=1238,1239,1240,
 &end
#
# 37 TYR HB3 71 ALA QB 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 589,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1153,1154,1155,
 &end
#
# 16 LEU QQD 71 ALA QB 3.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2=1153,1154,1155,
 &end
#
# 60 VAL QQG 71 ALA QB 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 971, 972, 973, 975, 976, 977,
 igr2=1153,1154,1155,
 &end
#
# 34 PHE QD 71 ALA QB 3.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 535, 543,
 igr2=1153,1154,1155,
 &end
#
# 68 ALA HA 71 ALA QB 3.31 
 &rst
  ixpk= 0, nxpk= 0, iat=1114,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2=1153,1154,1155,
 &end
#
# 78 ALA HA 79 VAL QQG 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=1236,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr2=1250,1251,1252,1254,1255,1256,
 &end
#
# 71 ALA QB 72 MET HB2 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1163, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1=1153,1154,1155,
 &end
#
# 71 ALA QB 87 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1384, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1153,1154,1155,
 &end
#
# 8 PRO QD 10 VAL QQG 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1= 113, 114,
 igr2= 144, 145, 146, 148, 149, 150,
 &end
#
# 10 VAL HA 10 VAL QQG 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr2= 144, 145, 146, 148, 149, 150,
 &end
#
# 10 VAL QQG 61 ARG QD 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1= 144, 145, 146, 148, 149, 150,
 igr2= 991, 992,
 &end
#
# 10 VAL H 13 MET QE 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 187, 188, 189,
 &end
#
# 13 MET QE 63 HIS HA 3.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 187, 188, 189,
 &end
#
# 10 VAL HA 13 MET QE 3.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2= 187, 188, 189,
 &end
#
# 10 VAL QQG 13 MET QE 3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 144, 145, 146, 148, 149, 150,
 igr2= 187, 188, 189,
 &end
#
# 62 PHE H 68 ALA QB 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat=1005,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2=1116,1117,1118,
 &end
#
# 62 PHE QD 68 ALA QB 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1=1013,1021,
 igr2=1116,1117,1118,
 &end
#
# 62 PHE HB2 68 ALA QB 3.71 
 &rst
  ixpk= 0, nxpk= 0, iat=1009,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2=1116,1117,1118,
 &end
#
# 16 LEU QB 68 ALA QB 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 222, 223,
 igr2=1116,1117,1118,
 &end
#
# 14 THR QG2 68 ALA QB 2.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 199, 200, 201,
 igr2=1116,1117,1118,
 &end
#
# 68 ALA QB 69 GLU H 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=1116,1117,1118,
 &end
#
# 68 ALA QB 69 GLU HG2 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1=1116,1117,1118,
 &end
#
# 17 LYS H 90 ALA QB 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=1434,1435,1436,
 &end
#
# 15 SER HA 90 ALA QB 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 209,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2=1434,1435,1436,
 &end
#
# 15 SER QB 90 ALA QB 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 211, 212,
 igr2=1434,1435,1436,
 &end
#
# 90 ALA H 90 ALA QB 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat=1430,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2=1434,1435,1436,
 &end
#
# 59 PHE HZ 90 ALA QB 3.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2=1434,1435,1436,
 &end
#
# 15 SER QB 90 ALA QB 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 211, 212,
 igr2=1434,1435,1436,
 &end
#
# 57 PHE QD 58 ALA HA 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 923, 931,
 &end
#
# 89 MET HA 89 MET QE 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=1415,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2=1424,1425,1426,
 &end
#
# 69 GLU HA 89 MET QE 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat=1124,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2=1424,1425,1426,
 &end
#
# 14 THR QG2 89 MET QE 2.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 199, 200, 201,
 igr2=1424,1425,1426,
 &end
#
# 16 LEU QQD 89 MET QE 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2=1424,1425,1426,
 &end
#
# 46 PRO QD 58 ALA HA 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 728, 729,
 &end
#
# 45 ILE QG2 58 ALA HA 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 714, 715, 716,
 &end
#
# 72 MET HB2 72 MET QE 3.16 
 &rst
  ixpk= 0, nxpk= 0, iat=1163,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2=1170,1171,1172,
 &end
#
# 68 ALA H 89 MET QE 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2=1424,1425,1426,
 &end
#
# 68 ALA QB 72 MET QE 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1=1116,1117,1118,
 igr2=1170,1171,1172,
 &end
#
# 49 ARG QB 50 TYR QD 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 781, 782,
 igr2= 809, 818,
 &end
#
# 50 TYR QD 51 THR H 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 809, 818,
 &end
#
# 50 TYR H 50 TYR QD 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr2= 809, 818,
 &end
#
# 50 TYR HA 50 TYR QD 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 809, 818,
 &end
#
# 50 TYR QD 51 THR QG2 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 809, 818,
 igr2= 828, 829, 830,
 &end
#
# 3 TYR H 3 TYR QD 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2=  40,  49,
 &end
#
# 3 TYR HA 3 TYR QD 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  34,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr2=  40,  49,
 &end
#
# 22 THR QG2 23 TYR QD 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 326, 327, 328,
 igr2= 342, 351,
 &end
#
# 23 TYR H 23 TYR QD 3.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 342, 351,
 &end
#
# 57 PHE QD 59 PHE H 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 923, 931,
 &end
#
# 30 LEU QD1 34 PHE QD 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 453, 454, 455,
 igr2= 535, 543,
 &end
#
# 44 TYR QD 45 ILE H 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 708, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 695, 704,
 &end
#
# 17 LYS QB 59 PHE QD 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 241, 242,
 igr2= 953, 961,
 &end
#
# 44 TYR QD 59 PHE QD 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 695, 704,
 igr2= 953, 961,
 &end
#
# 44 TYR HA 44 TYR QD 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2= 695, 704,
 &end
#
# 59 PHE HA 59 PHE QD 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 953, 961,
 &end
#
# 30 LEU HA 34 PHE QE 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 537, 541,
 &end
#
# 34 PHE QE 60 VAL QQG 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1= 537, 541,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 34 PHE QE 60 VAL QQG 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr1= 537, 541,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 34 PHE QE 75 MET QB 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 537, 541,
 igr2=1202,1203,
 &end
#
# 34 PHE QE 87 VAL HB 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1384, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 537, 541,
 &end
#
# 34 PHE HB2 62 PHE HZ 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 531,1017, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 17 LYS QB 59 PHE HZ 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 241, 242,
 &end
#
# 34 PHE QD 34 PHE HZ 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 535, 543,
 &end
#
# 18 VAL QQG 34 PHE HZ 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 34 PHE HZ 75 MET QB 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1202,1203,
 &end
#
# 34 PHE HZ 85 LEU HG 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 539,1344, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 63 HIS H 63 HIS HD2 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat=1025,1038, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 62 PHE HA 63 HIS HD2 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat=1007,1038, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 63 HIS HA 63 HIS HD2 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat=1027,1038, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 63 HIS HB2 63 HIS HD2 3.45 
 &rst
  ixpk= 0, nxpk= 0, iat=1029,1038, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
# 39 ARG QD 63 HIS HD2 3.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1038, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1= 622, 623,
 &end
#
# 40 VAL QQG 63 HIS HD2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1038, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 62 PHE HB3 63 HIS HD2 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat=1010,1038, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 99 HIS QB 99 HIS HD2 2.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
 igr1=1571,1572,
 &end
#
# 39 ARG QD 63 HIS HE1 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 622, 623,
 &end
#
# 41 GLY QA 63 HIS HE1 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 654, 655,
 &end
#
# 41 GLY QA 63 HIS HE1 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 654, 655,
 &end
#
# 22 THR QG2 23 TYR QE 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 326, 327, 328,
 igr2= 344, 349,
 &end
#
# 23 TYR H 23 TYR QE 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2= 344, 349,
 &end
#
# 37 TYR HA 37 TYR QE 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 586,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 594, 599,
 &end
#
# 49 ARG QB 50 TYR QE 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 781, 782,
 igr2= 811, 816,
 &end
#
# 49 ARG QD 50 TYR QE 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 787, 788,
 igr2= 811, 816,
 &end
#
# 50 TYR QE 51 THR QG2 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 811, 816,
 igr2= 828, 829, 830,
 &end
#
# 23 TYR QE 24 ARG QD 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 344, 349,
 igr2= 365, 366,
 &end
#
# 102 URA H1' 102 URA H2' 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1621,1636, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
      rk2=50, rk3=50, ir6=1, ialtd=0,
 &end
#
# 102 URA H1' 102 URA H3' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1621,1634, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 102 URA H1' 102 URA H4' 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1621,1618, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 102 URA H1' 102 URA Q5' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1621,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1615,1616,
 &end
#
# 102 URA H2' 102 URA H4' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1636,1618, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 102 URA H2' 102 URA Q5' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1636,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1615,1616,
 &end
#
# 102 URA H4' 102 URA H3' 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1618,1634, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 102 URA H4' 102 URA H5' 3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1618,1615, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 102 URA Q5' 102 URA H3' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1634, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1615,1616,
 &end
#
# 102 URA H6 102 URA H3' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1624,1634, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 102 URA H6 102 URA H4' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1624,1618, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 102 URA H6 102 URA Q5' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1624,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1615,1616,
 &end
#
# 102 URA H5 102 URA H6 2.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1626,1624, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 102 URA H1' 102 URA H6 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1621,1624, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 102 URA H4' 103 RGUA H2' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1618,1670, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 102 URA H4' 103 RGUA H3' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1618,1668, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 102 URA H4' 103 RGUA Q5' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1618,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1645,1646,
 &end
#
# 102 URA H1' 103 RGUA H2' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1621,1670, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 102 URA H1' 103 RGUA H3' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1621,1668, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 102 URA H1' 103 RGUA Q5' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1621,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1645,1646,
 &end
#
# 102 URA H3' 103 RGUA H3' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1634,1668, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 103 RGUA H1' 103 RGUA H2' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1651,1670, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 103 RGUA H1' 103 RGUA H3' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1651,1668, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 103 RGUA H1' 103 RGUA H4' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1651,1648, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 103 RGUA H1' 103 RGUA H8 3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1651,1654, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 103 RGUA H2' 103 RGUA H3' 3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1670,1668, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 103 RGUA H2' 103 RGUA H4' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1670,1648, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 103 RGUA H2' 103 RGUA Q5' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1670,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1645,1646,
 &end
#
# 103 RGUA H2' 103 RGUA H8 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1670,1654, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 103 RGUA H3' 103 RGUA H4' 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1668,1648, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 103 RGUA H3' 103 RGUA Q5' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1668,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1645,1646,
 &end
#
# 103 RGUA H3' 103 RGUA H8 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1668,1654, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 103 RGUA H4' 103 RGUA Q5' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1648,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1645,1646,
 &end
#
# 103 RGUA H4' 103 RGUA H8 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1648,1654, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 104 RGUA H1' 104 RGUA H2' 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1704, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 104 RGUA H1' 104 RGUA H3' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1702, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 104 RGUA H1' 104 RGUA H4' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1682, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 104 RGUA H1' 104 RGUA Q5' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1679,1680,
 &end
#
# 104 RGUA H1' 104 RGUA H8 3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1688, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 104 RGUA H2' 104 RGUA H3' 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1704,1702, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 104 RGUA H2' 104 RGUA H4' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1704,1682, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 104 RGUA H2' 104 RGUA H8 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1704,1688, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 104 RGUA H3' 104 RGUA H4' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1702,1682, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 104 RGUA H3' 104 RGUA H8 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1702,1688, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 104 RGUA H1' 105 RADE H3' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1735, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 104 RGUA H2' 105 RADE H3' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1704,1735, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 104 RGUA H4' 105 RADE H3' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1682,1735, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 104 RGUA H8 105 RADE H3' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1688,1735, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 105 RADE H1' 105 RADE H4' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1719,1716, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 105 RADE H1' 105 RADE Q5' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1719,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1713,1714,
 &end
#
# 105 RADE H1' 105 RADE H2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1719,1731, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 105 RADE H1' 105 RADE H8 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1719,1722, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 105 RADE H2' 105 RADE H1' 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1737,1719, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 105 RADE H2' 105 RADE H4' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1737,1716, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 105 RADE H2' 105 RADE H8 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1737,1722, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 105 RADE H3' 105 RADE H1' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1735,1719, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 105 RADE H3' 105 RADE H4' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1735,1716, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 105 RADE H3' 105 RADE Q5' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1735,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1713,1714,
 &end
#
# 105 RADE H3' 105 RADE H8 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1735,1722, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 105 RADE H4' 105 RADE Q5' 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1716,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1713,1714,
 &end
#
# 105 RADE H4' 105 RADE H8 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1716,1722, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 105 RADE Q5' 105 RADE H8 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1722, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1713,1714,
 &end
#
# 105 RADE H3' 106 RGUA H8 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1735,1755, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 105 RADE H4' 106 RGUA H8 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1716,1755, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 106 RGUA H1' 106 RGUA H2' 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1752,1771, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 106 RGUA H1' 106 RGUA H3' 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1752,1769, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 106 RGUA H1' 106 RGUA H4' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1752,1749, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 106 RGUA H1' 106 RGUA Q5' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1752,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1746,1747,
 &end
#
# 106 RGUA H1' 106 RGUA H8 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1752,1755, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 106 RGUA H2' 106 RGUA Q5' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1771,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1746,1747,
 &end
#
# 106 RGUA H2' 106 RGUA H8 3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1771,1755, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 106 RGUA H3' 106 RGUA Q5' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1769,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1746,1747,
 &end
#
# 106 RGUA H3' 106 RGUA H8 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1769,1755, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 106 RGUA H4' 106 RGUA Q5' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1749,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1746,1747,
 &end
#
# 106 RGUA H4' 106 RGUA H8 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1749,1755, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 106 RGUA Q5' 106 RGUA H8 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1755, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1746,1747,
 &end
#
# 106 RGUA H3' 107 URA H1' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1769,1786, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 106 RGUA H3' 107 URA H4' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1769,1783, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 106 RGUA H3' 107 URA H6 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1769,1789, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 107 URA H4' 107 URA H1' 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1783,1786, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 107 URA H4' 107 URA H6 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1783,1789, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 107 URA H6 107 URA H5 2.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1789,1791, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 57 PHE QD 102 URA H1' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1621, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 923, 931,
 &end
#
# 57 PHE QE 102 URA H2' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1636, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 925, 929,
 &end
#
# 17 LYS QG 103 RGUA H8 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1654, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 244, 245,
 &end
#
# 17 LYS QD 103 RGUA H8 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1654, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 247, 248,
 &end
#
# 57 PHE QD 103 RGUA H4' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1648, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 923, 931,
 &end
#
# 57 PHE QE 103 RGUA H1' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1651, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 925, 929,
 &end
#
# 57 PHE QE 103 RGUA H3' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1668, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 925, 929,
 &end
#
# 57 PHE QE 103 RGUA H4' 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1648, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 925, 929,
 &end
#
# 59 PHE QD 103 RGUA H1' 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1651, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 953, 961,
 &end
#
# 59 PHE QD 103 RGUA H8 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1654, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 953, 961,
 &end
#
# 90 ALA QB 103 RGUA H8 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1654, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1434,1435,1436,
 &end
#
# 92 TYR HA 103 RGUA H8 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1466,1654, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 92 TYR QB 103 RGUA H8 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1654, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1468,1469,
 &end
#
# 92 TYR QD 103 RGUA H1' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1651, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1472,1481,
 &end
#
# 92 TYR QD 103 RGUA H8 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1654, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1472,1481,
 &end
#
# 92 TYR QE 103 RGUA H1' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1651, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1474,1479,
 &end
#
# 92 TYR QE 103 RGUA H3' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1668, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1474,1479,
 &end
#
# 92 TYR QE 103 RGUA H3' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1668, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1474,1479,
 &end
#
# 92 TYR QE 103 RGUA H8 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1654, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1474,1479,
 &end
#
# 44 TYR QD 104 RGUA H1' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 695, 704,
 &end
#
# 44 TYR QD 104 RGUA H8 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1688, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 695, 704,
 &end
#
# 44 TYR QE 104 RGUA H1' 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 697, 702,
 &end
#
# 44 TYR QE 104 RGUA H3' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1702, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 697, 702,
 &end
#
# 44 TYR QE 104 RGUA H8 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1688, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 697, 702,
 &end
#
# 46 PRO QG 104 RGUA H1' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 731, 732,
 &end
#
# 46 PRO HD3 104 RGUA H1' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 729,1685, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 57 PHE QE 104 RGUA H4' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 925, 929,
 &end
#
# 57 PHE QE 104 RGUA Q5' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 925, 929,
 igr2=1679,1680,
 &end
#
# 59 PHE QE 104 RGUA H1' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 955, 959,
 &end
#
# 59 PHE QE 104 RGUA H2' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 955, 959,
 &end
#
# 59 PHE QE 104 RGUA H8 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1688, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 955, 959,
 &end
#
# 61 ARG QB 104 RGUA H8 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1688, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 985, 986,
 &end
#
# 61 ARG QD 104 RGUA H8 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1688, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 991, 992,
 &end
#
# 95 PRO QG 104 RGUA H1' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1520,1521,
 &end
#
# 95 PRO QG 104 RGUA H2' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1520,1521,
 &end
#
# 95 PRO HD2 104 RGUA H1' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1517,1685, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 95 PRO HD3 104 RGUA H1' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1518,1685, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 95 PRO HD2 104 RGUA H2' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1517,1704, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 95 PRO HD3 104 RGUA H2' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1518,1704, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 17 LYS QD 104 RGUA H1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1694, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 247, 248,
 &end
#
# 90 ALA HA 104 RGUA H1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1432,1694, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 90 ALA QB 104 RGUA H1 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1694, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1434,1435,1436,
 &end
#
# 92 TYR QB 104 RGUA H1 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1694, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1468,1469,
 &end
#
# 92 TYR QD 104 RGUA H1 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1694, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1472,1481,
 &end
#
# 46 PRO QG 105 RADE H8 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1722, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 731, 732,
 &end
#
# 48 ASP HA 105 RADE H2 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 767,1731, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 48 ASP QB 105 RADE H2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1731, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 769, 770,
 &end
#
# 49 ARG HB3 105 RADE H1' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 782,1719, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 49 ARG HB3 105 RADE H2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 782,1731, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 49 ARG HB3 105 RADE H8 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 782,1722, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 49 ARG QD 105 RADE H1' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1719, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 787, 788,
 &end
#
# 49 ARG QD 105 RADE H2 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1731, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 787, 788,
 &end
#
# 49 ARG QD 105 RADE H8 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1722, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 787, 788,
 &end
#
# 50 TYR QE 105 RADE H2 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1731, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 811, 816,
 &end
#
# 95 PRO QG 105 RADE H1' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1719, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1520,1521,
 &end
#
# 95 PRO QG 105 RADE H8 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1722, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1520,1521,
 &end
#
# 98 SER QB 105 RADE H1' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1719, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1560,1561,
 &end
#
# 98 SER QB 105 RADE H2 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1731, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1560,1561,
 &end
#
# 98 SER QB 105 RADE H8 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1722, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1560,1561,
 &end
#
# 99 HIS QB 105 RADE H1' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1719, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1571,1572,
 &end
#
# 99 HIS QB 105 RADE H2 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1731, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1571,1572,
 &end
#
# 99 HIS QB 105 RADE H8 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1722, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1571,1572,
 &end
#
# 44 TYR QD 106 RGUA H1' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1752, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 695, 704,
 &end
#
# 44 TYR QE 106 RGUA H1' 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1752, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 697, 702,
 &end
#
# 44 TYR QE 106 RGUA H8 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1755, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 697, 702,
 &end
#
# 3 TYR HB2 106 RGUA H1' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  36,1752, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 3 TYR HB3 106 RGUA H1' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  37,1752, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 4 GLY QA 106 RGUA H1' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1752, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  55,  56,
 &end
#
# 5 ARG HA 106 RGUA H1' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  62,1752, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 5 ARG QB 106 RGUA H1' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1752, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  64,  65,
 &end
#
# 6 PRO QD 106 RGUA H1' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1752, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  85,  86,
 &end
#
# 4 GLY QA 107 URA H1' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1786, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  55,  56,
 &end
#
# 4 GLY QA 107 URA H2' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1801, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  55,  56,
 &end
#
# 4 GLY QA 107 URA H3' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1799, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  55,  56,
 &end
#
# 4 GLY QA 107 URA H6 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1789, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  55,  56,
 &end
#
# 5 ARG QG 107 URA H1' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1786, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  67,  68,
 &end
#
# 5 ARG QG 107 URA H2' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1801, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  67,  68,
 &end
#
# 5 ARG QG 107 URA H3' 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1799, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  67,  68,
 &end
#
# 5 ARG QG 107 URA H6 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1789, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  67,  68,
 &end
#
# 5 ARG QD 107 URA H1' 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1786, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  70,  71,
 &end
#
# 5 ARG QD 107 URA H2' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1801, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  70,  71,
 &end
#
# 5 ARG QD 107 URA H3' 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1799, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  70,  71,
 &end
#
# 5 ARG QD 107 URA H6 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1789, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  70,  71,
 &end
#
# 42 ASP QB 10 VAL QG1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 663, 664,
 igr2= 144, 145, 146,
 &end
#
# 61 ARG QD 10 VAL QG1 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 991, 992,
 igr2= 144, 145, 146,
 &end
#
# 3 TYR QE 40 VAL QG1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  42,  47,
 igr2= 642, 643, 644,
 &end
#
# 3 TYR QE 43 VAL QG2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  42,  47,
 igr2= 681, 682, 683,
 &end
#
# 30 LEU H 26 SER O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 402, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, 
      rk2=50, rk3=50, ir6=1, ialtd=0,
 &end
#
# 30 LEU N 26 SER O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 402, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 31 ARG H 27 PRO O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 463, 416, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 31 ARG N 27 PRO O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 462, 416, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 32 ARG H 28 ASP O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 428, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 32 ARG N 28 ASP O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 486, 428, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 33 VAL H 29 THR O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 442, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 33 VAL N 29 THR O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 510, 442, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 34 PHE H 30 LEU O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 461, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 34 PHE N 30 LEU O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 461, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 35 GLU H 31 ARG O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 485, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 35 GLU N 31 ARG O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 485, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 68 ALA H 64 ASP O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1112,1052, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 68 ALA N 64 ASP O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1111,1052, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 69 GLU H 65 LYS O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1122,1074, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 69 GLU N 65 LYS O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1121,1074, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 70 ASP H 66 ARG O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1137,1098, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 70 ASP N 66 ARG O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1136,1098, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 71 ALA H 67 ASP O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1149,1110, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 71 ALA N 67 ASP O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1148,1110, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 72 MET H 68 ALA O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1159,1120, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 72 MET N 68 ALA O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1158,1120, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 73 ASP H 69 GLU O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1176,1135, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 73 ASP N 69 GLU O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1175,1135, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 74 ALA H 70 ASP O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1188,1147, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 74 ALA N 70 ASP O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1187,1147, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 75 MET H 71 ALA O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1198,1157, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 75 MET N 71 ALA O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1197,1157, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 76 ASP H 72 MET O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1215,1174, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 76 ASP N 72 MET O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1214,1174, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 17 LYS H 88 GLN O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 237,1411, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 17 LYS N 88 GLN O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 236,1411, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 88 GLN H 17 LYS O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1396, 257, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 88 GLN N 17 LYS O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1395, 257, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 19 ASP H 86 ARG O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 275,1378, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 19 ASP N 86 ARG O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 274,1378, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 86 ARG H 19 ASP O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1356, 285, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 86 ARG N 19 ASP O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1355, 285, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 16 LEU H 62 PHE O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 218,1023, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 16 LEU N 62 PHE O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 217,1023, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 62 PHE H 16 LEU O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1005, 235, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 62 PHE N 16 LEU O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1004, 235, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 18 VAL H 60 VAL O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 979, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 18 VAL N 60 VAL O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 258, 979, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 60 VAL H 18 VAL O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 965, 273, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 60 VAL N 18 VAL O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 964, 273, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 61 ARG H 42 ASP O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 981, 669, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 61 ARG N 42 ASP O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 980, 669, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 42 ASP H 61 ARG O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 659,1003, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 42 ASP N 61 ARG O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 658,1003, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 59 PHE H 44 TYR O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 945, 706, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 59 PHE N 44 TYR O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 944, 706, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 44 TYR H 59 PHE O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 687, 963, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 44 TYR N 59 PHE O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 686, 963, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 91 ARG H 103 RGUA N7 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1440,1655, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 91 ARG N 103 RGUA N7 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1439,1655, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 42 ASP OD1 106 RGUA H1 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 666,1761, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 42 ASP OD1 106 RGUA N1 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 666,1760, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 92 TYR O 104 RGUA H1 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1483,1694, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 92 TYR O 104 RGUA N1 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1483,1693, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 42 ASP OD2 106 RGUA H21 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 667,1764, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 42 ASP OD2 106 RGUA N2 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 667,1763, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 61 ARG QH1 104 RGUA N7 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1689, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
 igr1= 997, 998,
 &end
#
# 61 ARG NH1 104 RGUA N7 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 996,1689, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 61 ARG QH2 104 RGUA O6 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1692, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
 igr1=1000,1001,
 &end
#
# 61 ARG NH2 104 RGUA O6 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 999,1692, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
#  chirality for residue 1 atoms:  CA CG HB2 HB3
 &rst iat=5,10,8,9, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 100., rk3 = 100.,  &end
#
#  chirality for residue 1 atoms:  CB SD HG2 HG3
 &rst iat=7,13,11,12, &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,18,6,7, &end
#
#  chirality for residue 2 atoms:  CA OG HB2 HB3
 &rst iat=22,27,25,26, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=20,29,23,24, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=33,38,36,37, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=31,50,34,35, &end
#
#  chirality for residue 4 atoms:  N C HA2 HA3
 &rst iat=52,57,55,56, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=61,66,64,65, &end
#
#  chirality for residue 5 atoms:  CB CD HG2 HG3
 &rst iat=63,69,67,68, &end
#
#  chirality for residue 5 atoms:  CG NE HD2 HD3
 &rst iat=66,72,70,71, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=59,81,62,63, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=93,87,91,92, &end
#
#  chirality for residue 6 atoms:  CB CD HG2 HG3
 &rst iat=90,84,88,89, &end
#
#  chirality for residue 6 atoms:  CG N HD2 HD3
 &rst iat=87,83,85,86, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=83,95,94,90, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=107,101,105,106, &end
#
#  chirality for residue 7 atoms:  CB CD HG2 HG3
 &rst iat=104,98,102,103, &end
#
#  chirality for residue 7 atoms:  CG N HD2 HD3
 &rst iat=101,97,99,100, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=97,109,108,104, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=121,115,119,120, &end
#
#  chirality for residue 8 atoms:  CB CD HG2 HG3
 &rst iat=118,112,116,117, &end
#
#  chirality for residue 8 atoms:  CG N HD2 HD3
 &rst iat=115,111,113,114, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=111,123,122,118, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=127,132,130,131, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=125,135,128,129, &end
#
#  chirality for residue 10 atoms:  CA CG1 CG2 HB
 &rst iat=139,143,147,142, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=137,151,140,141, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=155,160,158,159, &end
#
#  chirality for residue 11 atoms:  CB CD HG2 HG3
 &rst iat=157,163,161,162, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=153,166,156,157, &end
#
#  chirality for residue 12 atoms:  N C HA2 HA3
 &rst iat=168,173,171,172, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=177,182,180,181, &end
#
#  chirality for residue 13 atoms:  CB SD HG2 HG3
 &rst iat=179,185,183,184, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=175,190,178,179, &end
#
#  chirality for residue 14 atoms:  CA CG2 OG1 HB
 &rst iat=194,198,202,197, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=192,204,195,196, &end
#
#  chirality for residue 15 atoms:  CA OG HB2 HB3
 &rst iat=208,213,211,212, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=206,215,209,210, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=219,224,222,223, &end
#
#  chirality for residue 16 atoms:  CB CD1 CD2 HG
 &rst iat=221,226,230,225, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=217,234,220,221, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=238,243,241,242, &end
#
#  chirality for residue 17 atoms:  CB CD HG2 HG3
 &rst iat=240,246,244,245, &end
#
#  chirality for residue 17 atoms:  CD NZ HE2 HE3
 &rst iat=246,252,250,251, &end
#
#  chirality for residue 17 atoms:  CG CE HD2 HD3
 &rst iat=243,249,247,248, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=236,256,239,240, &end
#
#  chirality for residue 18 atoms:  CA CG1 CG2 HB
 &rst iat=260,264,268,263, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=258,272,261,262, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=276,281,279,280, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=274,284,277,278, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=288,293,291,292, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=286,298,289,290, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=302,307,305,306, &end
#
#  chirality for residue 21 atoms:  CB CD1 CD2 HG
 &rst iat=304,309,313,308, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=300,317,303,304, &end
#
#  chirality for residue 22 atoms:  CA CG2 OG1 HB
 &rst iat=321,325,329,324, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=319,331,322,323, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=335,340,338,339, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=333,352,336,337, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=356,361,359,360, &end
#
#  chirality for residue 24 atoms:  CB CD HG2 HG3
 &rst iat=358,364,362,363, &end
#
#  chirality for residue 24 atoms:  CG NE HD2 HD3
 &rst iat=361,367,365,366, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=354,376,357,358, &end
#
#  chirality for residue 25 atoms:  CA CG2 OG1 HB
 &rst iat=380,384,388,383, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=378,390,381,382, &end
#
#  chirality for residue 26 atoms:  CA OG HB2 HB3
 &rst iat=394,399,397,398, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=392,401,395,396, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=413,407,411,412, &end
#
#  chirality for residue 27 atoms:  CB CD HG2 HG3
 &rst iat=410,404,408,409, &end
#
#  chirality for residue 27 atoms:  CG N HD2 HD3
 &rst iat=407,403,405,406, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=403,415,414,410, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=419,424,422,423, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=417,427,420,421, &end
#
#  chirality for residue 29 atoms:  CA CG2 OG1 HB
 &rst iat=431,435,439,434, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=429,441,432,433, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=445,450,448,449, &end
#
#  chirality for residue 30 atoms:  CB CD1 CD2 HG
 &rst iat=447,452,456,451, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=443,460,446,447, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=464,469,467,468, &end
#
#  chirality for residue 31 atoms:  CB CD HG2 HG3
 &rst iat=466,472,470,471, &end
#
#  chirality for residue 31 atoms:  CG NE HD2 HD3
 &rst iat=469,475,473,474, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=462,484,465,466, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=488,493,491,492, &end
#
#  chirality for residue 32 atoms:  CB CD HG2 HG3
 &rst iat=490,496,494,495, &end
#
#  chirality for residue 32 atoms:  CG NE HD2 HD3
 &rst iat=493,499,497,498, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=486,508,489,490, &end
#
#  chirality for residue 33 atoms:  CA CG1 CG2 HB
 &rst iat=512,516,520,515, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=510,524,513,514, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=528,533,531,532, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=526,544,529,530, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=548,553,551,552, &end
#
#  chirality for residue 35 atoms:  CB CD HG2 HG3
 &rst iat=550,556,554,555, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=546,559,549,550, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=563,568,566,567, &end
#
#  chirality for residue 36 atoms:  CB CD HG2 HG3
 &rst iat=565,571,569,570, &end
#
#  chirality for residue 36 atoms:  CD NZ HE2 HE3
 &rst iat=571,577,575,576, &end
#
#  chirality for residue 36 atoms:  CG CE HD2 HD3
 &rst iat=568,574,572,573, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=561,581,564,565, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=585,590,588,589, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=583,602,586,587, &end
#
#  chirality for residue 38 atoms:  N C HA2 HA3
 &rst iat=604,609,607,608, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=613,618,616,617, &end
#
#  chirality for residue 39 atoms:  CB CD HG2 HG3
 &rst iat=615,621,619,620, &end
#
#  chirality for residue 39 atoms:  CG NE HD2 HD3
 &rst iat=618,624,622,623, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=611,633,614,615, &end
#
#  chirality for residue 40 atoms:  CA CG1 CG2 HB
 &rst iat=637,641,645,640, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=635,649,638,639, &end
#
#  chirality for residue 41 atoms:  N C HA2 HA3
 &rst iat=651,656,654,655, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=660,665,663,664, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=658,668,661,662, &end
#
#  chirality for residue 43 atoms:  CA CG1 CG2 HB
 &rst iat=672,676,680,675, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=670,684,673,674, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=688,693,691,692, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=686,705,689,690, &end
#
#  chirality for residue 45 atoms:  CA CG2 CG1 HB
 &rst iat=709,713,717,712, &end
#
#  chirality for residue 45 atoms:  CB CD1 HG12 HG13
 &rst iat=711,720,718,719, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=707,724,710,711, &end
#
#  chirality for residue 46 atoms:  CA CG HB2 HB3
 &rst iat=736,730,734,735, &end
#
#  chirality for residue 46 atoms:  CB CD HG2 HG3
 &rst iat=733,727,731,732, &end
#
#  chirality for residue 46 atoms:  CG N HD2 HD3
 &rst iat=730,726,728,729, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=726,738,737,733, &end
#
#  chirality for residue 47 atoms:  CA CG HB2 HB3
 &rst iat=742,747,745,746, &end
#
#  chirality for residue 47 atoms:  CB CD HG2 HG3
 &rst iat=744,750,748,749, &end
#
#  chirality for residue 47 atoms:  CG NE HD2 HD3
 &rst iat=747,753,751,752, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=740,762,743,744, &end
#
#  chirality for residue 48 atoms:  CA CG HB2 HB3
 &rst iat=766,771,769,770, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=764,774,767,768, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=778,783,781,782, &end
#
#  chirality for residue 49 atoms:  CB CD HG2 HG3
 &rst iat=780,786,784,785, &end
#
#  chirality for residue 49 atoms:  CG NE HD2 HD3
 &rst iat=783,789,787,788, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=776,798,779,780, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=802,807,805,806, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=800,819,803,804, &end
#
#  chirality for residue 51 atoms:  CA CG2 OG1 HB
 &rst iat=823,827,831,826, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=821,833,824,825, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=837,842,840,841, &end
#
#  chirality for residue 52 atoms:  CB CD HG2 HG3
 &rst iat=839,845,843,844, &end
#
#  chirality for residue 52 atoms:  CD NZ HE2 HE3
 &rst iat=845,851,849,850, &end
#
#  chirality for residue 52 atoms:  CG CE HD2 HD3
 &rst iat=842,848,846,847, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=835,855,838,839, &end
#
#  chirality for residue 53 atoms:  CA CG HB2 HB3
 &rst iat=859,864,862,863, &end
#
#  chirality for residue 53 atoms:  CB CD HG2 HG3
 &rst iat=861,867,865,866, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=857,870,860,861, &end
#
#  chirality for residue 54 atoms:  CA OG HB2 HB3
 &rst iat=874,879,877,878, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=872,881,875,876, &end
#
#  chirality for residue 55 atoms:  CA CG HB2 HB3
 &rst iat=885,890,888,889, &end
#
#  chirality for residue 55 atoms:  CB CD HG2 HG3
 &rst iat=887,893,891,892, &end
#
#  chirality for residue 55 atoms:  CG NE HD2 HD3
 &rst iat=890,896,894,895, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=883,905,886,887, &end
#
#  chirality for residue 56 atoms:  N C HA2 HA3
 &rst iat=907,912,910,911, &end
#
#  chirality for residue 57 atoms:  CA CG HB2 HB3
 &rst iat=916,921,919,920, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=914,932,917,918, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=934,942,937,938, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=946,951,949,950, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=944,962,947,948, &end
#
#  chirality for residue 60 atoms:  CA CG1 CG2 HB
 &rst iat=966,970,974,969, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=964,978,967,968, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=982,987,985,986, &end
#
#  chirality for residue 61 atoms:  CB CD HG2 HG3
 &rst iat=984,990,988,989, &end
#
#  chirality for residue 61 atoms:  CG NE HD2 HD3
 &rst iat=987,993,991,992, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=980,1002,983,984, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=1006,1011,1009,1010, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=1004,1022,1007,1008, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=1026,1031,1029,1030, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=1024,1039,1027,1028, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=1043,1048,1046,1047, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=1041,1051,1044,1045, &end
#
#  chirality for residue 65 atoms:  CA CG HB2 HB3
 &rst iat=1055,1060,1058,1059, &end
#
#  chirality for residue 65 atoms:  CB CD HG2 HG3
 &rst iat=1057,1063,1061,1062, &end
#
#  chirality for residue 65 atoms:  CD NZ HE2 HE3
 &rst iat=1063,1069,1067,1068, &end
#
#  chirality for residue 65 atoms:  CG CE HD2 HD3
 &rst iat=1060,1066,1064,1065, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=1053,1073,1056,1057, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=1077,1082,1080,1081, &end
#
#  chirality for residue 66 atoms:  CB CD HG2 HG3
 &rst iat=1079,1085,1083,1084, &end
#
#  chirality for residue 66 atoms:  CG NE HD2 HD3
 &rst iat=1082,1088,1086,1087, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=1075,1097,1078,1079, &end
#
#  chirality for residue 67 atoms:  CA CG HB2 HB3
 &rst iat=1101,1106,1104,1105, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1099,1109,1102,1103, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1111,1119,1114,1115, &end
#
#  chirality for residue 69 atoms:  CA CG HB2 HB3
 &rst iat=1123,1128,1126,1127, &end
#
#  chirality for residue 69 atoms:  CB CD HG2 HG3
 &rst iat=1125,1131,1129,1130, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1121,1134,1124,1125, &end
#
#  chirality for residue 70 atoms:  CA CG HB2 HB3
 &rst iat=1138,1143,1141,1142, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1136,1146,1139,1140, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1148,1156,1151,1152, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=1160,1165,1163,1164, &end
#
#  chirality for residue 72 atoms:  CB SD HG2 HG3
 &rst iat=1162,1168,1166,1167, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1158,1173,1161,1162, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1177,1182,1180,1181, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1175,1185,1178,1179, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1187,1195,1190,1191, &end
#
#  chirality for residue 75 atoms:  CA CG HB2 HB3
 &rst iat=1199,1204,1202,1203, &end
#
#  chirality for residue 75 atoms:  CB SD HG2 HG3
 &rst iat=1201,1207,1205,1206, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1197,1212,1200,1201, &end
#
#  chirality for residue 76 atoms:  CA CG HB2 HB3
 &rst iat=1216,1221,1219,1220, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1214,1224,1217,1218, &end
#
#  chirality for residue 77 atoms:  N C HA2 HA3
 &rst iat=1226,1231,1229,1230, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1233,1241,1236,1237, &end
#
#  chirality for residue 79 atoms:  CA CG1 CG2 HB
 &rst iat=1245,1249,1253,1248, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1243,1257,1246,1247, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1261,1266,1264,1265, &end
#
#  chirality for residue 80 atoms:  CB CD1 CD2 HG
 &rst iat=1263,1268,1272,1267, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1259,1276,1262,1263, &end
#
#  chirality for residue 81 atoms:  CA CG HB2 HB3
 &rst iat=1280,1285,1283,1284, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1278,1288,1281,1282, &end
#
#  chirality for residue 82 atoms:  N C HA2 HA3
 &rst iat=1290,1295,1293,1294, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1299,1304,1302,1303, &end
#
#  chirality for residue 83 atoms:  CB CD HG2 HG3
 &rst iat=1301,1307,1305,1306, &end
#
#  chirality for residue 83 atoms:  CG NE HD2 HD3
 &rst iat=1304,1310,1308,1309, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1297,1319,1300,1301, &end
#
#  chirality for residue 84 atoms:  CA CG HB2 HB3
 &rst iat=1323,1328,1326,1327, &end
#
#  chirality for residue 84 atoms:  CB CD HG2 HG3
 &rst iat=1325,1331,1329,1330, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1321,1334,1324,1325, &end
#
#  chirality for residue 85 atoms:  CA CG HB2 HB3
 &rst iat=1338,1343,1341,1342, &end
#
#  chirality for residue 85 atoms:  CB CD1 CD2 HG
 &rst iat=1340,1345,1349,1344, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1336,1353,1339,1340, &end
#
#  chirality for residue 86 atoms:  CA CG HB2 HB3
 &rst iat=1357,1362,1360,1361, &end
#
#  chirality for residue 86 atoms:  CB CD HG2 HG3
 &rst iat=1359,1365,1363,1364, &end
#
#  chirality for residue 86 atoms:  CG NE HD2 HD3
 &rst iat=1362,1368,1366,1367, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1355,1377,1358,1359, &end
#
#  chirality for residue 87 atoms:  CA CG1 CG2 HB
 &rst iat=1381,1385,1389,1384, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1379,1393,1382,1383, &end
#
#  chirality for residue 88 atoms:  CA CG HB2 HB3
 &rst iat=1397,1402,1400,1401, &end
#
#  chirality for residue 88 atoms:  CB CD HG2 HG3
 &rst iat=1399,1405,1403,1404, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1395,1410,1398,1399, &end
#
#  chirality for residue 89 atoms:  CA CG HB2 HB3
 &rst iat=1414,1419,1417,1418, &end
#
#  chirality for residue 89 atoms:  CB SD HG2 HG3
 &rst iat=1416,1422,1420,1421, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1412,1427,1415,1416, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1429,1437,1432,1433, &end
#
#  chirality for residue 91 atoms:  CA CG HB2 HB3
 &rst iat=1441,1446,1444,1445, &end
#
#  chirality for residue 91 atoms:  CB CD HG2 HG3
 &rst iat=1443,1449,1447,1448, &end
#
#  chirality for residue 91 atoms:  CG NE HD2 HD3
 &rst iat=1446,1452,1450,1451, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1439,1461,1442,1443, &end
#
#  chirality for residue 92 atoms:  CA CG HB2 HB3
 &rst iat=1465,1470,1468,1469, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1463,1482,1466,1467, &end
#
#  chirality for residue 93 atoms:  N C HA2 HA3
 &rst iat=1484,1489,1487,1488, &end
#
#  chirality for residue 94 atoms:  CA CG HB2 HB3
 &rst iat=1493,1498,1496,1497, &end
#
#  chirality for residue 94 atoms:  CB CD HG2 HG3
 &rst iat=1495,1501,1499,1500, &end
#
#  chirality for residue 94 atoms:  CG NE HD2 HD3
 &rst iat=1498,1504,1502,1503, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1491,1513,1494,1495, &end
#
#  chirality for residue 95 atoms:  CA CG HB2 HB3
 &rst iat=1525,1519,1523,1524, &end
#
#  chirality for residue 95 atoms:  CB CD HG2 HG3
 &rst iat=1522,1516,1520,1521, &end
#
#  chirality for residue 95 atoms:  CG N HD2 HD3
 &rst iat=1519,1515,1517,1518, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1515,1527,1526,1522, &end
#
#  chirality for residue 96 atoms:  CA CG HB2 HB3
 &rst iat=1539,1533,1537,1538, &end
#
#  chirality for residue 96 atoms:  CB CD HG2 HG3
 &rst iat=1536,1530,1534,1535, &end
#
#  chirality for residue 96 atoms:  CG N HD2 HD3
 &rst iat=1533,1529,1531,1532, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1529,1541,1540,1536, &end
#
#  chirality for residue 97 atoms:  CA CG HB2 HB3
 &rst iat=1545,1550,1548,1549, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1543,1553,1546,1547, &end
#
#  chirality for residue 98 atoms:  CA OG HB2 HB3
 &rst iat=1557,1562,1560,1561, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1555,1564,1558,1559, &end
#
#  chirality for residue 99 atoms:  CA CG HB2 HB3
 &rst iat=1568,1573,1571,1572, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1566,1581,1569,1570, &end
#
#  chirality for residue 100 atoms:  CA CG HB2 HB3
 &rst iat=1585,1590,1588,1589, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1583,1598,1586,1587, &end
#
#  chirality for residue 101 atoms:  CA OG HB2 HB3
 &rst iat=1602,1607,1605,1606, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=1600,1609,1603,1604, &end
#
#  chirality for residue 102 atoms:  C2' O4' N1 H1'
 &rst iat=1635,1619,1622,1621, &end
#
#  chirality for residue 102 atoms:  C3' C1' H2'1 O2'
 &rst iat=1633,1620,1636,1637, &end
#
#  chirality for residue 102 atoms:  O3' C2' C4' H3'
 &rst iat=1639,1635,1617,1634, &end
#
#  chirality for residue 102 atoms:  C3' C5' O4' H4'
 &rst iat=1633,1614,1619,1618, &end
#
#  chirality for residue 102 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1617,1613,1615,1616, &end
#
#  chirality for residue 103 atoms:  C2' O4' N9 H1'
 &rst iat=1669,1649,1652,1651, &end
#
#  chirality for residue 103 atoms:  C3' C1' H2'1 O2'
 &rst iat=1667,1650,1670,1671, &end
#
#  chirality for residue 103 atoms:  O3' C2' C4' H3'
 &rst iat=1673,1669,1647,1668, &end
#
#  chirality for residue 103 atoms:  C3' C5' O4' H4'
 &rst iat=1667,1644,1649,1648, &end
#
#  chirality for residue 103 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1647,1643,1645,1646, &end
#
#  chirality for residue 104 atoms:  C2' O4' N9 H1'
 &rst iat=1703,1683,1686,1685, &end
#
#  chirality for residue 104 atoms:  C3' C1' H2'1 O2'
 &rst iat=1701,1684,1704,1705, &end
#
#  chirality for residue 104 atoms:  O3' C2' C4' H3'
 &rst iat=1707,1703,1681,1702, &end
#
#  chirality for residue 104 atoms:  C3' C5' O4' H4'
 &rst iat=1701,1678,1683,1682, &end
#
#  chirality for residue 104 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1681,1677,1679,1680, &end
#
#  chirality for residue 105 atoms:  C2' O4' N9 H1'
 &rst iat=1736,1717,1720,1719, &end
#
#  chirality for residue 105 atoms:  C3' C1' H2'1 O2'
 &rst iat=1734,1718,1737,1738, &end
#
#  chirality for residue 105 atoms:  O3' C2' C4' H3'
 &rst iat=1740,1736,1715,1735, &end
#
#  chirality for residue 105 atoms:  C3' C5' O4' H4'
 &rst iat=1734,1712,1717,1716, &end
#
#  chirality for residue 105 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1715,1711,1713,1714, &end
#
#  chirality for residue 106 atoms:  C2' O4' N9 H1'
 &rst iat=1770,1750,1753,1752, &end
#
#  chirality for residue 106 atoms:  C3' C1' H2'1 O2'
 &rst iat=1768,1751,1771,1772, &end
#
#  chirality for residue 106 atoms:  O3' C2' C4' H3'
 &rst iat=1774,1770,1748,1769, &end
#
#  chirality for residue 106 atoms:  C3' C5' O4' H4'
 &rst iat=1768,1745,1750,1749, &end
#
#  chirality for residue 106 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1748,1744,1746,1747, &end
#
#  chirality for residue 107 atoms:  C2' O4' N1 H1'
 &rst iat=1800,1784,1787,1786, &end
#
#  chirality for residue 107 atoms:  C3' C1' H2'1 O2'
 &rst iat=1798,1785,1801,1802, &end
#
#  chirality for residue 107 atoms:  O3' C2' C4' H3'
 &rst iat=1804,1800,1782,1799, &end
#
#  chirality for residue 107 atoms:  C3' C5' O4' H4'
 &rst iat=1798,1779,1784,1783, &end
#
#  chirality for residue 107 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1782,1778,1780,1781, &end
#
#  trans-omega constraint for residue 2
 &rst iat=22,20,18,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 100., rk3=100.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=33,31,29,22, &end
#
#  trans-omega constraint for residue 4
 &rst iat=54,52,50,33, &end
#
#  trans-omega constraint for residue 5
 &rst iat=61,59,57,54, &end
#
#  trans-omega constraint for residue 6
 &rst iat=93,83,81,61, &end
#
#  trans-omega constraint for residue 7
 &rst iat=107,97,95,93, &end
#
#  trans-omega constraint for residue 8
 &rst iat=121,111,109,107, &end
#
#  trans-omega constraint for residue 9
 &rst iat=127,125,123,121, &end
#
#  trans-omega constraint for residue 10
 &rst iat=139,137,135,127, &end
#
#  trans-omega constraint for residue 11
 &rst iat=155,153,151,139, &end
#
#  trans-omega constraint for residue 12
 &rst iat=170,168,166,155, &end
#
#  trans-omega constraint for residue 13
 &rst iat=177,175,173,170, &end
#
#  trans-omega constraint for residue 14
 &rst iat=194,192,190,177, &end
#
#  trans-omega constraint for residue 15
 &rst iat=208,206,204,194, &end
#
#  trans-omega constraint for residue 16
 &rst iat=219,217,215,208, &end
#
#  trans-omega constraint for residue 17
 &rst iat=238,236,234,219, &end
#
#  trans-omega constraint for residue 18
 &rst iat=260,258,256,238, &end
#
#  trans-omega constraint for residue 19
 &rst iat=276,274,272,260, &end
#
#  trans-omega constraint for residue 20
 &rst iat=288,286,284,276, &end
#
#  trans-omega constraint for residue 21
 &rst iat=302,300,298,288, &end
#
#  trans-omega constraint for residue 22
 &rst iat=321,319,317,302, &end
#
#  trans-omega constraint for residue 23
 &rst iat=335,333,331,321, &end
#
#  trans-omega constraint for residue 24
 &rst iat=356,354,352,335, &end
#
#  trans-omega constraint for residue 25
 &rst iat=380,378,376,356, &end
#
#  trans-omega constraint for residue 26
 &rst iat=394,392,390,380, &end
#
#  trans-omega constraint for residue 27
 &rst iat=413,403,401,394, &end
#
#  trans-omega constraint for residue 28
 &rst iat=419,417,415,413, &end
#
#  trans-omega constraint for residue 29
 &rst iat=431,429,427,419, &end
#
#  trans-omega constraint for residue 30
 &rst iat=445,443,441,431, &end
#
#  trans-omega constraint for residue 31
 &rst iat=464,462,460,445, &end
#
#  trans-omega constraint for residue 32
 &rst iat=488,486,484,464, &end
#
#  trans-omega constraint for residue 33
 &rst iat=512,510,508,488, &end
#
#  trans-omega constraint for residue 34
 &rst iat=528,526,524,512, &end
#
#  trans-omega constraint for residue 35
 &rst iat=548,546,544,528, &end
#
#  trans-omega constraint for residue 36
 &rst iat=563,561,559,548, &end
#
#  trans-omega constraint for residue 37
 &rst iat=585,583,581,563, &end
#
#  trans-omega constraint for residue 38
 &rst iat=606,604,602,585, &end
#
#  trans-omega constraint for residue 39
 &rst iat=613,611,609,606, &end
#
#  trans-omega constraint for residue 40
 &rst iat=637,635,633,613, &end
#
#  trans-omega constraint for residue 41
 &rst iat=653,651,649,637, &end
#
#  trans-omega constraint for residue 42
 &rst iat=660,658,656,653, &end
#
#  trans-omega constraint for residue 43
 &rst iat=672,670,668,660, &end
#
#  trans-omega constraint for residue 44
 &rst iat=688,686,684,672, &end
#
#  trans-omega constraint for residue 45
 &rst iat=709,707,705,688, &end
#
#  trans-omega constraint for residue 46
 &rst iat=736,726,724,709, &end
#
#  trans-omega constraint for residue 47
 &rst iat=742,740,738,736, &end
#
#  trans-omega constraint for residue 48
 &rst iat=766,764,762,742, &end
#
#  trans-omega constraint for residue 49
 &rst iat=778,776,774,766, &end
#
#  trans-omega constraint for residue 50
 &rst iat=802,800,798,778, &end
#
#  trans-omega constraint for residue 51
 &rst iat=823,821,819,802, &end
#
#  trans-omega constraint for residue 52
 &rst iat=837,835,833,823, &end
#
#  trans-omega constraint for residue 53
 &rst iat=859,857,855,837, &end
#
#  trans-omega constraint for residue 54
 &rst iat=874,872,870,859, &end
#
#  trans-omega constraint for residue 55
 &rst iat=885,883,881,874, &end
#
#  trans-omega constraint for residue 56
 &rst iat=909,907,905,885, &end
#
#  trans-omega constraint for residue 57
 &rst iat=916,914,912,909, &end
#
#  trans-omega constraint for residue 58
 &rst iat=936,934,932,916, &end
#
#  trans-omega constraint for residue 59
 &rst iat=946,944,942,936, &end
#
#  trans-omega constraint for residue 60
 &rst iat=966,964,962,946, &end
#
#  trans-omega constraint for residue 61
 &rst iat=982,980,978,966, &end
#
#  trans-omega constraint for residue 62
 &rst iat=1006,1004,1002,982, &end
#
#  trans-omega constraint for residue 63
 &rst iat=1026,1024,1022,1006, &end
#
#  trans-omega constraint for residue 64
 &rst iat=1043,1041,1039,1026, &end
#
#  trans-omega constraint for residue 65
 &rst iat=1055,1053,1051,1043, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1077,1075,1073,1055, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1101,1099,1097,1077, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1113,1111,1109,1101, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1123,1121,1119,1113, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1138,1136,1134,1123, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1150,1148,1146,1138, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1160,1158,1156,1150, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1177,1175,1173,1160, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1189,1187,1185,1177, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1199,1197,1195,1189, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1216,1214,1212,1199, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1228,1226,1224,1216, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1235,1233,1231,1228, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1245,1243,1241,1235, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1261,1259,1257,1245, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1280,1278,1276,1261, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1292,1290,1288,1280, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1299,1297,1295,1292, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1323,1321,1319,1299, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1338,1336,1334,1323, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1357,1355,1353,1338, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1381,1379,1377,1357, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1397,1395,1393,1381, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1414,1412,1410,1397, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1431,1429,1427,1414, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1441,1439,1437,1431, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1465,1463,1461,1441, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1486,1484,1482,1465, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1493,1491,1489,1486, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1525,1515,1513,1493, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1539,1529,1527,1525, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1545,1543,1541,1539, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1557,1555,1553,1545, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1568,1566,1564,1557, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1585,1583,1581,1568, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1602,1600,1598,1585, &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    MET   1           H1       MET   1 -14.874  16.444  10.642
    2    HA   MET   1           HA       MET   1 -13.805  18.284   8.614
    3    HB2  MET   1           HB2      MET   1 -12.384  16.593  10.711
    4    HB3  MET   1           HB3      MET   1 -11.585  17.472   9.393
    5    HG2  MET   1           HG2      MET   1 -12.484  19.602  10.245
    6    HG3  MET   1           HG3      MET   1 -13.314  18.739  11.549
    7    HE1  MET   1           HE1      MET   1  -9.914  19.909  10.061
    8    HE2  MET   1           HE2      MET   1  -8.719  19.218  11.188
    9    HE3  MET   1           HE3      MET   1  -9.650  18.151  10.110
   10    H    SER   2           H        SER   2 -13.284  17.409   6.688
   11    HA   SER   2           HA       SER   2 -13.010  14.482   6.409
   12    HB2  SER   2           HB2      SER   2 -15.022  16.135   4.828
   13    HB3  SER   2           HB3      SER   2 -14.663  14.413   4.598
   14    HG   SER   2           HG       SER   2 -15.405  14.079   6.739
   15    H    TYR   3           H        TYR   3 -12.448  13.963   4.055
   16    HA   TYR   3           HA       TYR   3 -10.085  15.344   3.320
   17    HB2  TYR   3           HB2      TYR   3 -11.956  13.500   1.783
   18    HB3  TYR   3           HB3      TYR   3 -10.380  13.985   1.189
   19    HD1  TYR   3           HD1      TYR   3 -12.206  11.978   3.682
   20    HD2  TYR   3           HD2      TYR   3  -8.320  13.098   2.213
   21    HE1  TYR   3           HE1      TYR   3 -11.191  10.123   4.970
   22    HE2  TYR   3           HE2      TYR   3  -7.298  11.224   3.492
   23    HH   TYR   3           HH       TYR   3  -9.254   9.038   5.545
   24    H    GLY   4           H        GLY   4 -13.412  15.540   2.056
   25    HA2  GLY   4           HA2      GLY   4 -14.482  16.962   0.641
   26    HA3  GLY   4           HA3      GLY   4 -13.247  18.172   1.001
   27    H    ARG   5           H        ARG   5 -11.215  17.963  -0.064
   28    HA   ARG   5           HA       ARG   5 -11.095  16.704  -2.739
   29    HB2  ARG   5           HB2      ARG   5 -11.587  19.645  -2.282
   30    HB3  ARG   5           HB3      ARG   5 -10.710  19.047  -3.722
   31    HG2  ARG   5           HG2      ARG   5 -12.579  17.693  -4.398
   32    HG3  ARG   5           HG3      ARG   5 -13.501  18.142  -2.933
   33    HD2  ARG   5           HD2      ARG   5 -14.182  19.395  -4.944
   34    HD3  ARG   5           HD3      ARG   5 -13.623  20.420  -3.601
   35    HE   ARG   5           HE       ARG   5 -11.352  20.146  -5.079
   36   HH11  ARG   5          HH11      ARG   5 -14.664  20.980  -6.063
   37   HH12  ARG   5          HH12      ARG   5 -14.131  21.954  -7.403
   38   HH21  ARG   5          HH21      ARG   5 -10.707  21.432  -6.835
   39   HH22  ARG   5          HH22      ARG   5 -11.899  22.208  -7.849
   40    HA   PRO   6           HA       PRO   6  -7.056  17.685  -0.555
   41    HB2  PRO   6           HB2      PRO   6  -5.998  15.167  -0.479
   42    HB3  PRO   6           HB3      PRO   6  -7.161  15.763   0.741
   43    HG2  PRO   6           HG2      PRO   6  -7.747  14.071  -1.703
   44    HG3  PRO   6           HG3      PRO   6  -8.287  13.812  -0.014
   45    HD2  PRO   6           HD2      PRO   6  -9.865  15.039  -1.887
   46    HD3  PRO   6           HD3      PRO   6  -9.885  15.548  -0.171
   47    HA   PRO   7           HA       PRO   7  -5.505  17.637  -4.822
   48    HB2  PRO   7           HB2      PRO   7  -3.772  19.702  -4.635
   49    HB3  PRO   7           HB3      PRO   7  -5.545  19.966  -4.588
   50    HG2  PRO   7           HG2      PRO   7  -3.612  19.806  -2.252
   51    HG3  PRO   7           HG3      PRO   7  -4.901  21.017  -2.542
   52    HD2  PRO   7           HD2      PRO   7  -5.222  18.799  -0.928
   53    HD3  PRO   7           HD3      PRO   7  -6.573  19.556  -1.833
   54    HA   PRO   8           HA       PRO   8  -1.746  15.326  -3.665
   55    HB2  PRO   8           HB2      PRO   8  -1.853  13.433  -5.539
   56    HB3  PRO   8           HB3      PRO   8  -3.138  13.486  -4.290
   57    HG2  PRO   8           HG2      PRO   8  -3.249  14.680  -7.088
   58    HG3  PRO   8           HG3      PRO   8  -4.441  13.574  -6.321
   59    HD2  PRO   8           HD2      PRO   8  -4.677  16.325  -6.309
   60    HD3  PRO   8           HD3      PRO   8  -5.290  15.289  -4.978
   61    H    ASP   9           H        ASP   9  -0.034  14.390  -5.519
   62    HA   ASP   9           HA       ASP   9   0.350  16.400  -7.636
   63    HB2  ASP   9           HB2      ASP   9   2.740  16.613  -7.080
   64    HB3  ASP   9           HB3      ASP   9   1.673  17.256  -5.828
   65    H    VAL  10           H        VAL  10  -0.781  13.976  -7.922
   66    HA   VAL  10           HA       VAL  10   0.728  11.688  -8.349
   67    HB   VAL  10           HB       VAL  10  -1.107  10.938  -9.737
   68   HG11  VAL  10          HG11      VAL  10  -1.449  11.074  -7.291
   69   HG12  VAL  10          HG12      VAL  10  -2.088  12.728  -7.480
   70   HG13  VAL  10          HG13      VAL  10  -2.963  11.359  -8.187
   71   HG21  VAL  10          HG21      VAL  10  -2.026  13.849  -9.722
   72   HG22  VAL  10          HG22      VAL  10  -1.448  12.943 -11.142
   73   HG23  VAL  10          HG23      VAL  10  -2.955  12.470 -10.342
   74    H    GLU  11           H        GLU  11   0.959  14.587 -10.162
   75    HA   GLU  11           HA       GLU  11   1.719  13.266 -12.682
   76    HB2  GLU  11           HB2      GLU  11   1.693  16.203 -11.868
   77    HB3  GLU  11           HB3      GLU  11   1.917  15.568 -13.513
   78    HG2  GLU  11           HG2      GLU  11  -0.312  14.465 -13.348
   79    HG3  GLU  11           HG3      GLU  11  -0.549  15.212 -11.756
   80    H    GLY  12           H        GLY  12   3.290  13.564  -9.835
   81    HA2  GLY  12           HA2      GLY  12   5.931  13.554 -11.119
   82    HA3  GLY  12           HA3      GLY  12   5.631  14.868  -9.961
   83    H    MET  13           H        MET  13   3.995  11.821  -9.390
   84    HA   MET  13           HA       MET  13   6.115  10.986  -7.488
   85    HB2  MET  13           HB2      MET  13   4.668  10.929  -5.610
   86    HB3  MET  13           HB3      MET  13   4.489  12.523  -6.350
   87    HG2  MET  13           HG2      MET  13   2.502  11.507  -7.633
   88    HG3  MET  13           HG3      MET  13   2.610  10.148  -6.502
   89    HE1  MET  13           HE1      MET  13   0.050  10.588  -6.031
   90    HE2  MET  13           HE2      MET  13   0.962  10.038  -4.602
   91    HE3  MET  13           HE3      MET  13  -0.236  11.337  -4.431
   92    H    THR  14           H        THR  14   5.552   8.851  -6.434
   93    HA   THR  14           HA       THR  14   5.469   6.968  -8.545
   94    HB   THR  14           HB       THR  14   5.469   6.748  -5.518
   95   HG21  THR  14          HG21      THR  14   5.707   4.552  -7.604
   96   HG22  THR  14          HG22      THR  14   6.135   4.366  -5.882
   97   HG23  THR  14          HG23      THR  14   4.456   4.679  -6.340
   98    H    SER  15           H        SER  15   2.853   8.130  -6.487
   99    HA   SER  15           HA       SER  15   0.707   7.448  -6.208
  100    HB2  SER  15           HB2      SER  15   0.723   8.593  -8.411
  101    HB3  SER  15           HB3      SER  15   0.921   7.006  -9.203
  102    HG   SER  15           HG       SER  15  -1.047   6.388  -8.276
  103    H    LEU  16           H        LEU  16   1.956   5.414  -5.140
  104    HA   LEU  16           HA       LEU  16   1.477   2.866  -6.383
  105    HB2  LEU  16           HB2      LEU  16   2.884   3.379  -4.301
  106    HB3  LEU  16           HB3      LEU  16   1.336   3.487  -3.420
  107    HG   LEU  16           HG       LEU  16   0.840   1.107  -4.077
  108   HD11  LEU  16          HD11      LEU  16   2.325   0.978  -6.061
  109   HD12  LEU  16          HD12      LEU  16   3.742   1.117  -4.991
  110   HD13  LEU  16          HD13      LEU  16   2.674  -0.293  -4.871
  111   HD21  LEU  16          HD21      LEU  16   2.523   0.149  -2.486
  112   HD22  LEU  16          HD22      LEU  16   3.356   1.715  -2.508
  113   HD23  LEU  16          HD23      LEU  16   1.698   1.614  -1.886
  114    H    LYS  17           H        LYS  17  -0.204   1.294  -5.625
  115    HA   LYS  17           HA       LYS  17  -2.750   2.511  -4.688
  116    HB2  LYS  17           HB2      LYS  17  -2.916   2.363  -7.104
  117    HB3  LYS  17           HB3      LYS  17  -2.265   0.715  -7.088
  118    HG2  LYS  17           HG2      LYS  17  -4.272  -0.045  -5.782
  119    HG3  LYS  17           HG3      LYS  17  -4.912   1.614  -5.863
  120    HD2  LYS  17           HD2      LYS  17  -5.926   0.407  -7.668
  121    HD3  LYS  17           HD3      LYS  17  -4.670   1.435  -8.391
  122    HE2  LYS  17           HE2      LYS  17  -4.231  -0.595  -9.432
  123    HE3  LYS  17           HE3      LYS  17  -3.129  -0.683  -8.057
  124    HZ1  LYS  17           HZ1      LYS  17  -4.872  -1.944  -6.898
  125    HZ2  LYS  17           HZ2      LYS  17  -5.795  -1.928  -8.242
  126    HZ3  LYS  17           HZ3      LYS  17  -4.352  -2.710  -8.266
  127    H    VAL  18           H        VAL  18  -3.878   1.171  -3.262
  128    HA   VAL  18           HA       VAL  18  -2.999  -1.670  -3.129
  129    HB   VAL  18           HB       VAL  18  -2.507  -1.717  -0.932
  130   HG11  VAL  18          HG11      VAL  18  -2.089   1.275  -1.373
  131   HG12  VAL  18          HG12      VAL  18  -1.311   0.269  -0.139
  132   HG13  VAL  18          HG13      VAL  18  -0.960  -0.006  -1.859
  133   HG21  VAL  18          HG21      VAL  18  -4.620  -1.188  -0.016
  134   HG22  VAL  18          HG22      VAL  18  -3.440  -0.106   0.752
  135   HG23  VAL  18          HG23      VAL  18  -4.520   0.500  -0.544
  136    H    ASP  19           H        ASP  19  -4.527  -3.125  -2.267
  137    HA   ASP  19           HA       ASP  19  -7.340  -2.299  -2.010
  138    HB2  ASP  19           HB2      ASP  19  -6.359  -4.156  -4.217
  139    HB3  ASP  19           HB3      ASP  19  -8.041  -3.714  -3.880
  140    H    ASN  20           H        ASN  20  -8.549  -4.709  -2.277
  141    HA   ASN  20           HA       ASN  20  -8.821  -6.845  -1.680
  142    HB2  ASN  20           HB2      ASN  20  -5.981  -6.730  -1.828
  143    HB3  ASN  20           HB3      ASN  20  -6.385  -7.608  -0.351
  144   HD21  ASN  20          HD22      ASN  20  -5.921  -9.635  -0.892
  145   HD22  ASN  20          HD21      ASN  20  -6.619 -10.496  -2.253
  146    H    LEU  21           H        LEU  21  -9.370  -4.550   0.046
  147    HA   LEU  21           HA       LEU  21  -8.839  -4.979   2.770
  148    HB2  LEU  21           HB2      LEU  21 -11.195  -3.811   1.242
  149    HB3  LEU  21           HB3      LEU  21 -11.165  -3.830   2.993
  150    HG   LEU  21           HG       LEU  21 -10.384  -1.698   1.743
  151   HD11  LEU  21          HD11      LEU  21  -8.736  -2.922   3.970
  152   HD12  LEU  21          HD12      LEU  21  -8.874  -1.185   3.602
  153   HD13  LEU  21          HD13      LEU  21 -10.297  -2.079   4.163
  154   HD21  LEU  21          HD21      LEU  21  -8.673  -2.775   0.265
  155   HD22  LEU  21          HD22      LEU  21  -7.961  -1.559   1.348
  156   HD23  LEU  21          HD23      LEU  21  -7.770  -3.275   1.717
  157    H    THR  22           H        THR  22  -9.388  -6.535   4.149
  158    HA   THR  22           HA       THR  22 -10.989  -8.739   3.317
  159    HB   THR  22           HB       THR  22 -10.190  -8.047   6.176
  160   HG21  THR  22          HG21      THR  22  -9.863 -10.541   6.270
  161   HG22  THR  22          HG22      THR  22 -11.550 -10.045   6.041
  162   HG23  THR  22          HG23      THR  22 -10.599 -10.652   4.657
  163    H    TYR  23           H        TYR  23 -12.881  -9.526   4.755
  164    HA   TYR  23           HA       TYR  23 -15.048  -7.718   4.551
  165    HB2  TYR  23           HB2      TYR  23 -16.319  -9.505   5.617
  166    HB3  TYR  23           HB3      TYR  23 -15.206 -10.171   4.417
  167    HD1  TYR  23           HD2      TYR  23 -15.964  -9.861   8.011
  168    HD2  TYR  23           HD1      TYR  23 -13.311 -11.556   5.086
  169    HE1  TYR  23           HE2      TYR  23 -15.005 -11.363   9.753
  170    HE2  TYR  23           HE1      TYR  23 -12.360 -13.060   6.805
  171    HH   TYR  23           HH       TYR  23 -12.393 -13.696   9.007
  172    H    ARG  24           H        ARG  24 -12.632  -7.346   6.738
  173    HA   ARG  24           HA       ARG  24 -14.425  -6.209   8.807
  174    HB2  ARG  24           HB2      ARG  24 -13.096  -7.293  10.573
  175    HB3  ARG  24           HB3      ARG  24 -13.808  -8.499   9.489
  176    HG2  ARG  24           HG2      ARG  24 -11.584  -8.463   8.197
  177    HG3  ARG  24           HG3      ARG  24 -10.919  -7.551   9.574
  178    HD2  ARG  24           HD2      ARG  24 -12.268 -10.267   9.679
  179    HD3  ARG  24           HD3      ARG  24 -10.514  -9.993   9.741
  180    HE   ARG  24           HE       ARG  24 -11.274  -8.506  11.833
  181   HH11  ARG  24          HH11      ARG  24 -12.350 -11.750  10.904
  182   HH12  ARG  24          HH12      ARG  24 -12.660 -12.238  12.553
  183   HH21  ARG  24          HH21      ARG  24 -11.693  -9.173  13.964
  184   HH22  ARG  24          HH22      ARG  24 -12.296 -10.779  14.279
  185    H    THR  25           H        THR  25 -12.498  -5.231   6.588
  186    HA   THR  25           HA       THR  25 -10.658  -3.640   8.328
  187    HB   THR  25           HB       THR  25 -10.325  -4.098   5.359
  188   HG21  THR  25          HG21      THR  25  -7.918  -3.814   5.995
  189   HG22  THR  25          HG22      THR  25  -8.884  -2.376   6.372
  190   HG23  THR  25          HG23      THR  25  -8.419  -3.498   7.672
  191    H    SER  26           H        SER  26 -10.135  -1.430   7.400
  192    HA   SER  26           HA       SER  26 -12.327  -0.115   5.927
  193    HB2  SER  26           HB2      SER  26 -12.819   1.401   7.778
  194    HB3  SER  26           HB3      SER  26 -12.963  -0.249   8.383
  195    HG   SER  26           HG       SER  26 -11.735   1.071   9.778
  196    HA   PRO  27           HA       PRO  27  -8.971   2.366   4.548
  197    HB2  PRO  27           HB2      PRO  27  -9.876   4.953   4.479
  198    HB3  PRO  27           HB3      PRO  27 -10.465   3.670   3.373
  199    HG2  PRO  27           HG2      PRO  27 -11.729   4.667   5.940
  200    HG3  PRO  27           HG3      PRO  27 -12.522   4.385   4.356
  201    HD2  PRO  27           HD2      PRO  27 -12.652   2.570   6.351
  202    HD3  PRO  27           HD3      PRO  27 -12.498   2.046   4.655
  203    H    ASP  28           H        ASP  28 -10.395   3.372   7.652
  204    HA   ASP  28           HA       ASP  28  -8.198   5.101   8.374
  205    HB2  ASP  28           HB2      ASP  28 -10.451   5.066   9.512
  206    HB3  ASP  28           HB3      ASP  28  -9.989   3.506  10.240
  207    H    THR  29           H        THR  29  -8.833   1.590   8.672
  208    HA   THR  29           HA       THR  29  -6.430   1.102  10.231
  209    HB   THR  29           HB       THR  29  -8.123  -0.769   8.523
  210   HG21  THR  29          HG21      THR  29  -7.029  -2.521   9.956
  211   HG22  THR  29          HG22      THR  29  -5.883  -1.662   8.902
  212   HG23  THR  29          HG23      THR  29  -5.970  -1.248  10.628
  213    H    LEU  30           H        LEU  30  -7.364   0.898   6.747
  214    HA   LEU  30           HA       LEU  30  -4.882  -0.121   5.840
  215    HB2  LEU  30           HB2      LEU  30  -7.353   0.862   4.782
  216    HB3  LEU  30           HB3      LEU  30  -6.059   1.701   3.922
  217    HG   LEU  30           HG       LEU  30  -6.850  -0.422   2.837
  218   HD11  LEU  30          HD11      LEU  30  -4.584  -1.350   2.416
  219   HD12  LEU  30          HD12      LEU  30  -4.624   0.433   2.345
  220   HD13  LEU  30          HD13      LEU  30  -3.959  -0.386   3.776
  221   HD21  LEU  30          HD21      LEU  30  -7.183  -1.657   5.032
  222   HD22  LEU  30          HD22      LEU  30  -6.333  -2.570   3.756
  223   HD23  LEU  30          HD23      LEU  30  -5.422  -1.871   5.107
  224    H    ARG  31           H        ARG  31  -5.687   3.034   7.054
  225    HA   ARG  31           HA       ARG  31  -3.447   4.370   5.716
  226    HB2  ARG  31           HB2      ARG  31  -5.479   5.623   6.272
  227    HB3  ARG  31           HB3      ARG  31  -5.321   5.161   7.974
  228    HG2  ARG  31           HG2      ARG  31  -4.548   7.503   7.484
  229    HG3  ARG  31           HG3      ARG  31  -3.348   6.480   8.273
  230    HD2  ARG  31           HD2      ARG  31  -2.222   6.101   6.090
  231    HD3  ARG  31           HD3      ARG  31  -3.417   7.140   5.294
  232    HE   ARG  31           HE       ARG  31  -1.439   8.008   7.365
  233   HH11  ARG  31          HH11      ARG  31  -3.561   8.824   4.641
  234   HH12  ARG  31          HH12      ARG  31  -2.918  10.448   4.512
  235   HH21  ARG  31          HH21      ARG  31  -0.673  10.078   7.179
  236   HH22  ARG  31          HH22      ARG  31  -1.290  11.174   5.961
  237    H    ARG  32           H        ARG  32  -4.260   3.508   9.149
  238    HA   ARG  32           HA       ARG  32  -1.714   4.300  10.162
  239    HB2  ARG  32           HB2      ARG  32  -2.451   3.177  12.183
  240    HB3  ARG  32           HB3      ARG  32  -3.876   3.952  11.442
  241    HG2  ARG  32           HG2      ARG  32  -4.538   1.838  10.418
  242    HG3  ARG  32           HG3      ARG  32  -3.073   1.035  11.057
  243    HD2  ARG  32           HD2      ARG  32  -4.868   0.404  12.397
  244    HD3  ARG  32           HD3      ARG  32  -3.799   1.502  13.320
  245    HE   ARG  32           HE       ARG  32  -6.004   2.900  12.028
  246   HH11  ARG  32          HH11      ARG  32  -5.113   1.041  14.898
  247   HH12  ARG  32          HH12      ARG  32  -6.387   1.731  15.876
  248   HH21  ARG  32          HH21      ARG  32  -7.671   3.750  13.316
  249   HH22  ARG  32          HH22      ARG  32  -7.825   3.270  14.991
  250    H    VAL  33           H        VAL  33  -2.801   1.432   8.465
  251    HA   VAL  33           HA       VAL  33  -0.683  -0.269   9.496
  252    HB   VAL  33           HB       VAL  33  -2.826  -0.589   7.363
  253   HG11  VAL  33          HG11      VAL  33  -2.202  -2.990   7.311
  254   HG12  VAL  33          HG12      VAL  33  -0.937  -1.944   6.649
  255   HG13  VAL  33          HG13      VAL  33  -0.758  -2.616   8.295
  256   HG21  VAL  33          HG21      VAL  33  -3.765  -2.175   8.971
  257   HG22  VAL  33          HG22      VAL  33  -2.376  -1.921  10.067
  258   HG23  VAL  33          HG23      VAL  33  -3.524  -0.603   9.768
  259    H    PHE  34           H        PHE  34  -1.336   1.666   6.536
  260    HA   PHE  34           HA       PHE  34   1.212   0.699   5.347
  261    HB2  PHE  34           HB2      PHE  34  -1.319   1.981   4.353
  262    HB3  PHE  34           HB3      PHE  34   0.131   2.222   3.428
  263    HD1  PHE  34           HD2      PHE  34  -2.125  -0.410   4.800
  264    HD2  PHE  34           HD1      PHE  34   1.025   0.496   2.013
  265    HE1  PHE  34           HE2      PHE  34  -2.442  -2.616   3.713
  266    HE2  PHE  34           HE1      PHE  34   0.698  -1.720   0.928
  267    HZ   PHE  34           HZ       PHE  34  -1.042  -3.257   1.767
  268    H    GLU  35           H        GLU  35   0.091   3.330   7.230
  269    HA   GLU  35           HA       GLU  35   1.770   5.377   6.073
  270    HB2  GLU  35           HB2      GLU  35  -0.186   5.944   7.380
  271    HB3  GLU  35           HB3      GLU  35   0.434   5.035   8.778
  272    HG2  GLU  35           HG2      GLU  35   2.203   6.617   9.120
  273    HG3  GLU  35           HG3      GLU  35   1.835   7.445   7.578
  274    H    LYS  36           H        LYS  36   2.327   2.720   8.333
  275    HA   LYS  36           HA       LYS  36   4.593   3.901   9.644
  276    HB2  LYS  36           HB2      LYS  36   4.984   1.688  10.525
  277    HB3  LYS  36           HB3      LYS  36   3.246   2.059  10.588
  278    HG2  LYS  36           HG2      LYS  36   2.962   0.720   8.466
  279    HG3  LYS  36           HG3      LYS  36   4.678   0.270   8.575
  280    HD2  LYS  36           HD2      LYS  36   4.246  -0.664  10.861
  281    HD3  LYS  36           HD3      LYS  36   2.531  -0.275  10.675
  282    HE2  LYS  36           HE2      LYS  36   2.787  -2.585  10.128
  283    HE3  LYS  36           HE3      LYS  36   2.488  -1.719   8.613
  284    HZ1  LYS  36           HZ1      LYS  36   4.277  -3.298   8.407
  285    HZ2  LYS  36           HZ2      LYS  36   4.850  -1.774   8.193
  286    HZ3  LYS  36           HZ3      LYS  36   5.126  -2.567   9.609
  287    H    TYR  37           H        TYR  37   4.217   2.301   6.577
  288    HA   TYR  37           HA       TYR  37   7.005   1.596   6.229
  289    HB2  TYR  37           HB2      TYR  37   4.734   1.973   4.255
  290    HB3  TYR  37           HB3      TYR  37   6.336   1.373   3.825
  291    HD1  TYR  37           HD2      TYR  37   3.269   0.650   5.787
  292    HD2  TYR  37           HD1      TYR  37   6.984  -0.883   4.263
  293    HE1  TYR  37           HE2      TYR  37   2.584  -1.634   6.437
  294    HE2  TYR  37           HE1      TYR  37   6.309  -3.180   4.883
  295    HH   TYR  37           HH       TYR  37   4.696  -4.490   5.876
  296    H    GLY  38           H        GLY  38   5.185   4.582   5.930
  297    HA2  GLY  38           HA2      GLY  38   7.444   6.206   5.817
  298    HA3  GLY  38           HA3      GLY  38   7.042   5.878   4.123
  299    H    ARG  39           H        ARG  39   5.076   6.662   3.231
  300    HA   ARG  39           HA       ARG  39   3.222   8.154   4.929
  301    HB2  ARG  39           HB2      ARG  39   3.474  10.237   3.565
  302    HB3  ARG  39           HB3      ARG  39   4.821   9.886   4.675
  303    HG2  ARG  39           HG2      ARG  39   6.204   9.101   2.824
  304    HG3  ARG  39           HG3      ARG  39   4.841   9.247   1.704
  305    HD2  ARG  39           HD2      ARG  39   6.253  11.232   1.464
  306    HD3  ARG  39           HD3      ARG  39   4.736  11.707   2.227
  307    HE   ARG  39           HE       ARG  39   5.859  12.164   4.226
  308   HH11  ARG  39          HH11      ARG  39   8.057  10.637   1.905
  309   HH12  ARG  39          HH12      ARG  39   9.482  11.006   2.843
  310   HH21  ARG  39          HH21      ARG  39   7.736  12.607   5.434
  311   HH22  ARG  39          HH22      ARG  39   9.301  12.121   4.835
  312    H    VAL  40           H        VAL  40   1.465   9.110   3.709
  313    HA   VAL  40           HA       VAL  40   0.753   7.537   1.284
  314    HB   VAL  40           HB       VAL  40  -0.888   7.900   3.832
  315   HG11  VAL  40          HG11      VAL  40  -1.573   6.453   1.253
  316   HG12  VAL  40          HG12      VAL  40  -2.545   6.464   2.738
  317   HG13  VAL  40          HG13      VAL  40  -2.307   7.971   1.831
  318   HG21  VAL  40          HG21      VAL  40   0.848   6.145   4.084
  319   HG22  VAL  40          HG22      VAL  40  -0.763   5.420   3.992
  320   HG23  VAL  40          HG23      VAL  40   0.301   5.389   2.571
  321    H    GLY  41           H        GLY  41  -0.310   8.787  -0.221
  322    HA2  GLY  41           HA2      GLY  41  -0.586  11.662   0.433
  323    HA3  GLY  41           HA3      GLY  41  -0.601  10.916  -1.184
  324    H    ASP  42           H        ASP  42  -2.504   8.786  -0.193
  325    HA   ASP  42           HA       ASP  42  -4.875  10.171   0.711
  326    HB2  ASP  42           HB2      ASP  42  -4.812  10.785  -1.726
  327    HB3  ASP  42           HB3      ASP  42  -4.798   9.061  -2.127
  328    H    VAL  43           H        VAL  43  -6.533   8.742   1.252
  329    HA   VAL  43           HA       VAL  43  -6.300   5.875   0.729
  330    HB   VAL  43           HB       VAL  43  -4.998   5.780   2.659
  331   HG11  VAL  43          HG11      VAL  43  -5.469   6.996   4.749
  332   HG12  VAL  43          HG12      VAL  43  -5.148   8.097   3.397
  333   HG13  VAL  43          HG13      VAL  43  -6.820   7.837   3.972
  334   HG21  VAL  43          HG21      VAL  43  -6.308   4.619   4.237
  335   HG22  VAL  43          HG22      VAL  43  -7.775   5.548   3.845
  336   HG23  VAL  43          HG23      VAL  43  -7.129   4.373   2.684
  337    H    TYR  44           H        TYR  44  -8.204   5.640  -0.190
  338    HA   TYR  44           HA       TYR  44 -10.610   6.847   1.038
  339    HB2  TYR  44           HB2      TYR  44  -9.760   8.702  -0.152
  340    HB3  TYR  44           HB3      TYR  44  -9.163   7.705  -1.461
  341    HD1  TYR  44           HD2      TYR  44 -10.608   6.793  -3.169
  342    HD2  TYR  44           HD1      TYR  44 -12.029   9.621  -0.249
  343    HE1  TYR  44           HE2      TYR  44 -12.521   7.328  -4.631
  344    HE2  TYR  44           HE1      TYR  44 -13.968  10.153  -1.703
  345    HH   TYR  44           HH       TYR  44 -15.065   9.665  -3.659
  346    H    ILE  45           H        ILE  45 -12.554   6.234  -0.136
  347    HA   ILE  45           HA       ILE  45 -12.296   3.640  -1.567
  348    HB   ILE  45           HB       ILE  45 -14.115   4.225   0.809
  349   HG12  ILE  45          HG12      ILE  45 -11.499   2.733   0.490
  350   HG13  ILE  45          HG13      ILE  45 -11.899   4.010   1.648
  351   HG21  ILE  45          HG21      ILE  45 -13.636   1.603  -0.668
  352   HG22  ILE  45          HG22      ILE  45 -14.717   1.861   0.714
  353   HG23  ILE  45          HG23      ILE  45 -15.090   2.621  -0.838
  354   HD11  ILE  45          HD11      ILE  45 -12.942   1.146   1.662
  355   HD12  ILE  45          HD12      ILE  45 -11.802   1.875   2.794
  356   HD13  ILE  45          HD13      ILE  45 -13.500   2.426   2.769
  357    HA   PRO  46           HA       PRO  46 -15.153   5.795  -4.172
  358    HB2  PRO  46           HB2      PRO  46 -15.987   3.705  -5.751
  359    HB3  PRO  46           HB3      PRO  46 -14.366   4.469  -5.892
  360    HG2  PRO  46           HG2      PRO  46 -15.133   1.942  -4.408
  361    HG3  PRO  46           HG3      PRO  46 -13.751   2.209  -5.526
  362    HD2  PRO  46           HD2      PRO  46 -13.456   2.341  -2.821
  363    HD3  PRO  46           HD3      PRO  46 -12.568   3.459  -3.904
  364    H    ARG  47           H        ARG  47 -16.044   2.876  -2.407
  365    HA   ARG  47           HA       ARG  47 -18.029   2.000  -1.739
  366    HB2  ARG  47           HB2      ARG  47 -19.026   3.379   0.004
  367    HB3  ARG  47           HB3      ARG  47 -17.260   3.497   0.022
  368    HG2  ARG  47           HG2      ARG  47 -17.378   5.652  -1.198
  369    HG3  ARG  47           HG3      ARG  47 -19.153   5.565  -1.183
  370    HD2  ARG  47           HD2      ARG  47 -17.368   5.609   1.280
  371    HD3  ARG  47           HD3      ARG  47 -18.221   7.009   0.615
  372    HE   ARG  47           HE       ARG  47 -20.219   5.134   0.980
  373   HH11  ARG  47          HH11      ARG  47 -17.773   6.616   3.058
  374   HH12  ARG  47          HH12      ARG  47 -18.756   6.497   4.501
  375   HH21  ARG  47          HH21      ARG  47 -21.480   4.997   2.875
  376   HH22  ARG  47          HH22      ARG  47 -20.848   5.575   4.401
  377    H    ASP  48           H        ASP  48 -18.381   2.881  -4.478
  378    HA   ASP  48           HA       ASP  48 -19.963   3.482  -6.007
  379    HB2  ASP  48           HB2      ASP  48 -21.862   2.340  -3.931
  380    HB3  ASP  48           HB3      ASP  48 -22.127   2.424  -5.687
  381    H    ARG  49           H        ARG  49 -19.467   5.307  -3.603
  382    HA   ARG  49           HA       ARG  49 -20.069   7.233  -2.749
  383    HB2  ARG  49           HB2      ARG  49 -19.421   7.919  -4.886
  384    HB3  ARG  49           HB3      ARG  49 -20.972   7.525  -5.618
  385    HG2  ARG  49           HG2      ARG  49 -22.036   9.365  -4.305
  386    HG3  ARG  49           HG3      ARG  49 -20.458   9.726  -3.555
  387    HD2  ARG  49           HD2      ARG  49 -19.509  10.145  -5.813
  388    HD3  ARG  49           HD3      ARG  49 -21.086   9.790  -6.528
  389    HE   ARG  49           HE       ARG  49 -20.246  12.237  -5.162
  390   HH11  ARG  49          HH11      ARG  49 -23.027  10.304  -6.217
  391   HH12  ARG  49          HH12      ARG  49 -24.120  11.665  -6.196
  392   HH21  ARG  49          HH21      ARG  49 -21.704  13.982  -5.150
  393   HH22  ARG  49          HH22      ARG  49 -23.383  13.733  -5.571
  394    H    TYR  50           H        TYR  50 -22.761   5.259  -3.605
  395    HA   TYR  50           HA       TYR  50 -24.311   6.620  -1.524
  396    HB2  TYR  50           HB2      TYR  50 -26.269   7.024  -2.899
  397    HB3  TYR  50           HB3      TYR  50 -24.888   7.910  -3.540
  398    HD1  TYR  50           HD2      TYR  50 -23.602   6.835  -5.490
  399    HD2  TYR  50           HD1      TYR  50 -27.527   5.598  -4.287
  400    HE1  TYR  50           HE2      TYR  50 -23.929   5.771  -7.714
  401    HE2  TYR  50           HE1      TYR  50 -27.902   4.573  -6.521
  402    HH   TYR  50           HH       TYR  50 -26.999   4.121  -8.586
  403    H    THR  51           H        THR  51 -23.275   3.759  -2.830
  404    HA   THR  51           HA       THR  51 -25.700   2.365  -1.764
  405    HB   THR  51           HB       THR  51 -25.690   0.785  -3.443
  406   HG21  THR  51          HG21      THR  51 -24.394   3.113  -4.923
  407   HG22  THR  51          HG22      THR  51 -25.463   1.871  -5.608
  408   HG23  THR  51          HG23      THR  51 -26.116   3.059  -4.457
  409    H    LYS  52           H        LYS  52 -22.230   2.611  -1.822
  410    HA   LYS  52           HA       LYS  52 -20.546   1.444  -0.945
  411    HB2  LYS  52           HB2      LYS  52 -20.508   1.469   1.458
  412    HB3  LYS  52           HB3      LYS  52 -21.243   2.948   0.838
  413    HG2  LYS  52           HG2      LYS  52 -23.060   0.662   1.585
  414    HG3  LYS  52           HG3      LYS  52 -22.266   1.560   2.885
  415    HD2  LYS  52           HD2      LYS  52 -23.184   3.664   2.111
  416    HD3  LYS  52           HD3      LYS  52 -23.953   2.879   0.716
  417    HE2  LYS  52           HE2      LYS  52 -24.504   2.223   3.634
  418    HE3  LYS  52           HE3      LYS  52 -25.519   3.263   2.617
  419    HZ1  LYS  52           HZ1      LYS  52 -24.960   0.409   2.131
  420    HZ2  LYS  52           HZ2      LYS  52 -26.367   1.033   2.707
  421    HZ3  LYS  52           HZ3      LYS  52 -25.880   1.370   1.172
  422    H    GLU  53           H        GLU  53 -22.605  -0.450  -2.087
  423    HA   GLU  53           HA       GLU  53 -22.548  -2.693  -0.253
  424    HB2  GLU  53           HB2      GLU  53 -23.688  -3.919  -2.022
  425    HB3  GLU  53           HB3      GLU  53 -24.428  -2.329  -1.807
  426    HG2  GLU  53           HG2      GLU  53 -23.208  -1.478  -3.771
  427    HG3  GLU  53           HG3      GLU  53 -22.405  -3.043  -3.972
  428    H    SER  54           H        SER  54 -20.229  -1.423  -2.442
  429    HA   SER  54           HA       SER  54 -19.034  -4.013  -3.105
  430    HB2  SER  54           HB2      SER  54 -18.940  -2.126  -4.688
  431    HB3  SER  54           HB3      SER  54 -18.025  -1.164  -3.503
  432    HG   SER  54           HG       SER  54 -16.678  -2.258  -5.018
  433    H    ARG  55           H        ARG  55 -17.474  -1.149  -1.719
  434    HA   ARG  55           HA       ARG  55 -15.616  -0.956  -0.477
  435    HB2  ARG  55           HB2      ARG  55 -16.066  -1.315   1.909
  436    HB3  ARG  55           HB3      ARG  55 -17.381  -0.527   1.041
  437    HG2  ARG  55           HG2      ARG  55 -18.364  -2.061   2.570
  438    HG3  ARG  55           HG3      ARG  55 -18.615  -2.696   0.951
  439    HD2  ARG  55           HD2      ARG  55 -18.007  -4.489   2.509
  440    HD3  ARG  55           HD3      ARG  55 -16.749  -4.295   1.284
  441    HE   ARG  55           HE       ARG  55 -16.320  -2.799   3.786
  442   HH11  ARG  55          HH11      ARG  55 -15.743  -5.814   2.024
  443   HH12  ARG  55          HH12      ARG  55 -14.282  -6.188   2.918
  444   HH21  ARG  55          HH21      ARG  55 -14.421  -3.362   4.969
  445   HH22  ARG  55          HH22      ARG  55 -13.578  -4.844   4.580
  446    H    GLY  56           H        GLY  56 -15.645  -3.674  -1.917
  447    HA2  GLY  56           HA2      GLY  56 -14.253  -5.491  -0.191
  448    HA3  GLY  56           HA3      GLY  56 -14.335  -5.557  -1.964
  449    H    PHE  57           H        PHE  57 -13.221  -2.502  -1.314
  450    HA   PHE  57           HA       PHE  57 -10.417  -3.143  -0.792
  451    HB2  PHE  57           HB2      PHE  57  -9.640  -2.240  -2.918
  452    HB3  PHE  57           HB3      PHE  57 -10.610  -3.692  -3.163
  453    HD1  PHE  57           HD1      PHE  57 -13.117  -3.361  -3.804
  454    HD2  PHE  57           HD2      PHE  57 -10.149  -0.248  -4.064
  455    HE1  PHE  57           HE1      PHE  57 -14.523  -2.151  -5.440
  456    HE2  PHE  57           HE2      PHE  57 -11.565   0.953  -5.702
  457    HZ   PHE  57           HZ       PHE  57 -13.757   0.017  -6.378
  458    H    ALA  58           H        ALA  58  -9.102  -1.105  -0.946
  459    HA   ALA  58           HA       ALA  58 -10.603   1.411  -0.722
  460    HB1  ALA  58           HB1      ALA  58  -8.697   0.431   1.468
  461    HB2  ALA  58           HB2      ALA  58  -9.493   2.005   1.411
  462    HB3  ALA  58           HB3      ALA  58 -10.461   0.528   1.627
  463    H    PHE  59           H        PHE  59  -9.657   2.420  -2.369
  464    HA   PHE  59           HA       PHE  59  -7.037   1.780  -3.332
  465    HB2  PHE  59           HB2      PHE  59  -8.808   2.469  -4.825
  466    HB3  PHE  59           HB3      PHE  59  -9.064   3.955  -3.930
  467    HD1  PHE  59           HD1      PHE  59  -7.659   5.877  -4.200
  468    HD2  PHE  59           HD2      PHE  59  -6.948   2.330  -6.554
  469    HE1  PHE  59           HE1      PHE  59  -6.225   7.156  -5.713
  470    HE2  PHE  59           HE2      PHE  59  -5.401   3.595  -7.973
  471    HZ   PHE  59           HZ       PHE  59  -4.964   5.984  -7.546
  472    H    VAL  60           H        VAL  60  -5.565   2.037  -1.651
  473    HA   VAL  60           HA       VAL  60  -5.193   4.764  -0.553
  474    HB   VAL  60           HB       VAL  60  -3.576   2.213  -0.137
  475   HG11  VAL  60          HG11      VAL  60  -3.427   4.922   1.237
  476   HG12  VAL  60          HG12      VAL  60  -2.615   3.445   1.796
  477   HG13  VAL  60          HG13      VAL  60  -2.152   4.160   0.249
  478   HG21  VAL  60          HG21      VAL  60  -5.690   3.700   1.466
  479   HG22  VAL  60          HG22      VAL  60  -5.796   2.031   0.858
  480   HG23  VAL  60          HG23      VAL  60  -4.652   2.441   2.168
  481    H    ARG  61           H        ARG  61  -3.132   5.906  -0.843
  482    HA   ARG  61           HA       ARG  61  -1.867   5.271  -3.445
  483    HB2  ARG  61           HB2      ARG  61  -3.907   6.818  -3.636
  484    HB3  ARG  61           HB3      ARG  61  -2.981   8.016  -2.732
  485    HG2  ARG  61           HG2      ARG  61  -1.216   7.935  -4.513
  486    HG3  ARG  61           HG3      ARG  61  -2.179   6.696  -5.357
  487    HD2  ARG  61           HD2      ARG  61  -4.124   8.406  -5.204
  488    HD3  ARG  61           HD3      ARG  61  -2.857   9.613  -4.920
  489    HE   ARG  61           HE       ARG  61  -1.851   8.519  -7.110
  490   HH11  ARG  61          HH11      ARG  61  -5.245   9.221  -6.429
  491   HH12  ARG  61          HH12      ARG  61  -5.688   9.252  -8.122
  492   HH21  ARG  61          HH21      ARG  61  -2.447   8.600  -9.281
  493   HH22  ARG  61          HH22      ARG  61  -4.110   8.914  -9.732
  494    H    PHE  62           H        PHE  62   0.333   5.630  -3.452
  495    HA   PHE  62           HA       PHE  62   1.466   7.191  -1.144
  496    HB2  PHE  62           HB2      PHE  62   2.568   4.810  -2.659
  497    HB3  PHE  62           HB3      PHE  62   3.580   5.857  -1.724
  498    HD1  PHE  62           HD1      PHE  62   0.234   4.228  -1.009
  499    HD2  PHE  62           HD2      PHE  62   4.285   4.995   0.229
  500    HE1  PHE  62           HE1      PHE  62  -0.142   2.902   1.057
  501    HE2  PHE  62           HE2      PHE  62   3.946   3.566   2.222
  502    HZ   PHE  62           HZ       PHE  62   1.781   2.480   2.611
  503    H    HIS  63           H        HIS  63   3.710   8.032  -1.630
  504    HA   HIS  63           HA       HIS  63   3.872   9.056  -4.418
  505    HB2  HIS  63           HB2      HIS  63   4.948  11.086  -2.905
  506    HB3  HIS  63           HB3      HIS  63   3.366  11.058  -3.677
  507    HD2  HIS  63           HD2      HIS  63   4.157   9.341  -0.175
  508    HE1  HIS  63           HE1      HIS  63   1.275  12.418   0.347
  509    HE2  HIS  63           HE2      HIS  63   2.558  10.531   1.493
  510    H    ASP  64           H        ASP  64   5.635   8.148  -1.470
  511    HA   ASP  64           HA       ASP  64   8.238   8.631  -2.708
  512    HB2  ASP  64           HB2      ASP  64   7.153   7.457  -0.172
  513    HB3  ASP  64           HB3      ASP  64   8.812   7.037  -0.650
  514    H    LYS  65           H        LYS  65   9.141   7.314  -4.207
  515    HA   LYS  65           HA       LYS  65   8.004   4.850  -5.019
  516    HB2  LYS  65           HB2      LYS  65   9.440   6.045  -6.525
  517    HB3  LYS  65           HB3      LYS  65  10.745   6.098  -5.351
  518    HG2  LYS  65           HG2      LYS  65  11.157   4.458  -7.171
  519    HG3  LYS  65           HG3      LYS  65  11.153   3.717  -5.568
  520    HD2  LYS  65           HD2      LYS  65   9.974   2.323  -7.216
  521    HD3  LYS  65           HD3      LYS  65   8.893   2.838  -5.923
  522    HE2  LYS  65           HE2      LYS  65   7.744   3.016  -8.029
  523    HE3  LYS  65           HE3      LYS  65   8.018   4.648  -7.383
  524    HZ1  LYS  65           HZ1      LYS  65   8.524   4.511  -9.726
  525    HZ2  LYS  65           HZ2      LYS  65   9.882   4.861  -8.874
  526    HZ3  LYS  65           HZ3      LYS  65   9.644   3.339  -9.461
  527    H    ARG  66           H        ARG  66  10.910   5.457  -2.962
  528    HA   ARG  66           HA       ARG  66  11.499   2.731  -2.573
  529    HB2  ARG  66           HB2      ARG  66  12.948   3.402  -0.811
  530    HB3  ARG  66           HB3      ARG  66  13.096   4.530  -2.161
  531    HG2  ARG  66           HG2      ARG  66  11.451   5.044   0.355
  532    HG3  ARG  66           HG3      ARG  66  13.128   5.561   0.130
  533    HD2  ARG  66           HD2      ARG  66  10.736   6.495  -1.502
  534    HD3  ARG  66           HD3      ARG  66  11.636   7.417  -0.288
  535    HE   ARG  66           HE       ARG  66  13.352   6.426  -2.404
  536   HH11  ARG  66          HH11      ARG  66  11.137   9.061  -1.509
  537   HH12  ARG  66          HH12      ARG  66  11.832  10.168  -2.661
  538   HH21  ARG  66          HH21      ARG  66  14.230   7.916  -3.871
  539   HH22  ARG  66          HH22      ARG  66  13.577   9.532  -3.989
  540    H    ASP  67           H        ASP  67   9.175   4.789  -0.830
  541    HA   ASP  67           HA       ASP  67   8.840   2.735   1.249
  542    HB2  ASP  67           HB2      ASP  67   7.327   5.310   0.675
  543    HB3  ASP  67           HB3      ASP  67   7.096   4.278   2.098
  544    H    ALA  68           H        ALA  68   7.465   3.528  -1.890
  545    HA   ALA  68           HA       ALA  68   4.945   2.195  -1.408
  546    HB1  ALA  68           HB1      ALA  68   5.079   4.039  -3.009
  547    HB2  ALA  68           HB2      ALA  68   6.434   3.230  -3.863
  548    HB3  ALA  68           HB3      ALA  68   4.799   2.554  -3.935
  549    H    GLU  69           H        GLU  69   8.074   1.462  -3.063
  550    HA   GLU  69           HA       GLU  69   7.143  -1.145  -3.915
  551    HB2  GLU  69           HB2      GLU  69   9.452  -1.568  -4.539
  552    HB3  GLU  69           HB3      GLU  69   8.892  -0.014  -5.174
  553    HG2  GLU  69           HG2      GLU  69  10.132   1.211  -3.510
  554    HG3  GLU  69           HG3      GLU  69  10.454  -0.242  -2.578
  555    H    ASP  70           H        ASP  70   8.614   0.151  -0.955
  556    HA   ASP  70           HA       ASP  70   9.474  -2.437   0.014
  557    HB2  ASP  70           HB2      ASP  70  10.428  -0.289   0.789
  558    HB3  ASP  70           HB3      ASP  70   8.862   0.130   1.510
  559    H    ALA  71           H        ALA  71   6.568  -0.347   0.640
  560    HA   ALA  71           HA       ALA  71   5.351  -2.140   2.486
  561    HB1  ALA  71           HB1      ALA  71   3.290  -0.871   1.968
  562    HB2  ALA  71           HB2      ALA  71   4.679   0.229   2.166
  563    HB3  ALA  71           HB3      ALA  71   4.074  -0.166   0.541
  564    H    MET  72           H        MET  72   5.428  -2.024  -1.046
  565    HA   MET  72           HA       MET  72   3.391  -4.029  -1.488
  566    HB2  MET  72           HB2      MET  72   3.880  -2.466  -3.201
  567    HB3  MET  72           HB3      MET  72   5.625  -2.738  -3.057
  568    HG2  MET  72           HG2      MET  72   5.524  -4.815  -4.138
  569    HG3  MET  72           HG3      MET  72   3.765  -4.936  -3.961
  570    HE1  MET  72           HE1      MET  72   5.237  -1.419  -4.948
  571    HE2  MET  72           HE2      MET  72   6.536  -2.502  -5.482
  572    HE3  MET  72           HE3      MET  72   5.552  -1.627  -6.679
  573    H    ASP  73           H        ASP  73   6.999  -4.021  -1.267
  574    HA   ASP  73           HA       ASP  73   7.103  -6.851  -1.852
  575    HB2  ASP  73           HB2      ASP  73   8.844  -5.210  -2.561
  576    HB3  ASP  73           HB3      ASP  73   9.263  -4.940  -0.863
  577    H    ALA  74           H        ALA  74   5.996  -5.322   0.837
  578    HA   ALA  74           HA       ALA  74   7.171  -7.347   2.683
  579    HB1  ALA  74           HB1      ALA  74   6.540  -4.434   3.196
  580    HB2  ALA  74           HB2      ALA  74   7.190  -5.577   4.403
  581    HB3  ALA  74           HB3      ALA  74   8.181  -5.104   2.996
  582    H    MET  75           H        MET  75   4.286  -6.108   1.312
  583    HA   MET  75           HA       MET  75   2.828  -7.505   3.499
  584    HB2  MET  75           HB2      MET  75   2.803  -4.808   3.421
  585    HB3  MET  75           HB3      MET  75   1.482  -5.158   2.277
  586    HG2  MET  75           HG2      MET  75   0.627  -6.809   4.058
  587    HG3  MET  75           HG3      MET  75   1.774  -6.055   5.161
  588    HE1  MET  75           HE1      MET  75   0.427  -2.310   5.154
  589    HE2  MET  75           HE2      MET  75   1.603  -3.428   5.892
  590    HE3  MET  75           HE3      MET  75   1.688  -3.064   4.149
  591    H    ASP  76           H        ASP  76   2.854  -6.591  -0.014
  592    HA   ASP  76           HA       ASP  76   0.247  -7.682  -0.451
  593    HB2  ASP  76           HB2      ASP  76   1.006  -6.428  -2.255
  594    HB3  ASP  76           HB3      ASP  76   2.640  -7.095  -2.183
  595    H    GLY  77           H        GLY  77  -0.472  -9.639  -0.900
  596    HA2  GLY  77           HA2      GLY  77  -0.521 -11.933  -1.244
  597    HA3  GLY  77           HA3      GLY  77   1.227 -11.913  -1.494
  598    H    ALA  78           H        ALA  78   0.459 -10.402   1.478
  599    HA   ALA  78           HA       ALA  78   1.516 -12.687   2.949
  600    HB1  ALA  78           HB1      ALA  78   0.583  -9.929   3.884
  601    HB2  ALA  78           HB2      ALA  78   1.507 -11.102   4.859
  602    HB3  ALA  78           HB3      ALA  78   2.249 -10.355   3.430
  603    H    VAL  79           H        VAL  79  -0.965 -13.145   1.696
  604    HA   VAL  79           HA       VAL  79  -3.150 -12.706   3.518
  605    HB   VAL  79           HB       VAL  79  -3.012 -14.591   1.148
  606   HG11  VAL  79          HG11      VAL  79  -5.424 -13.176   2.226
  607   HG12  VAL  79          HG12      VAL  79  -5.300 -14.198   0.777
  608   HG13  VAL  79          HG13      VAL  79  -5.048 -14.926   2.363
  609   HG21  VAL  79          HG21      VAL  79  -3.646 -11.604   1.190
  610   HG22  VAL  79          HG22      VAL  79  -2.248 -12.365   0.396
  611   HG23  VAL  79          HG23      VAL  79  -3.881 -12.670  -0.213
  612    H    LEU  80           H        LEU  80  -4.578 -14.479   4.260
  613    HA   LEU  80           HA       LEU  80  -3.322 -17.091   4.643
  614    HB2  LEU  80           HB2      LEU  80  -3.115 -17.127   6.944
  615    HB3  LEU  80           HB3      LEU  80  -2.475 -15.538   6.508
  616    HG   LEU  80           HG       LEU  80  -5.223 -16.149   7.701
  617   HD11  LEU  80          HD11      LEU  80  -3.311 -16.292   9.261
  618   HD12  LEU  80          HD12      LEU  80  -2.793 -14.663   8.773
  619   HD13  LEU  80          HD13      LEU  80  -4.344 -14.894   9.616
  620   HD21  LEU  80          HD21      LEU  80  -5.473 -13.689   7.844
  621   HD22  LEU  80          HD22      LEU  80  -3.986 -13.492   6.883
  622   HD23  LEU  80          HD23      LEU  80  -5.433 -14.258   6.166
  623    H    ASP  81           H        ASP  81  -6.022 -15.457   3.850
  624    HA   ASP  81           HA       ASP  81  -7.750 -17.671   4.776
  625    HB2  ASP  81           HB2      ASP  81  -7.903 -15.760   6.387
  626    HB3  ASP  81           HB3      ASP  81  -8.479 -14.740   5.062
  627    H    GLY  82           H        GLY  82  -6.548 -16.025   2.219
  628    HA2  GLY  82           HA2      GLY  82  -7.366 -16.789   0.038
  629    HA3  GLY  82           HA3      GLY  82  -9.018 -16.454   0.585
  630    H    ARG  83           H        ARG  83  -7.509 -13.939   1.937
  631    HA   ARG  83           HA       ARG  83  -6.851 -12.184  -0.227
  632    HB2  ARG  83           HB2      ARG  83  -9.268 -12.347  -0.723
  633    HB3  ARG  83           HB3      ARG  83  -9.638 -12.051   0.990
  634    HG2  ARG  83           HG2      ARG  83  -8.121  -9.832   0.376
  635    HG3  ARG  83           HG3      ARG  83  -8.946 -10.156  -1.169
  636    HD2  ARG  83           HD2      ARG  83 -10.255  -9.980   1.554
  637    HD3  ARG  83           HD3      ARG  83 -10.227  -8.658   0.361
  638    HE   ARG  83           HE       ARG  83 -11.342 -11.227  -0.579
  639   HH11  ARG  83          HH11      ARG  83 -12.080  -8.001   0.710
  640   HH12  ARG  83          HH12      ARG  83 -13.744  -8.059   0.181
  641   HH21  ARG  83          HH21      ARG  83 -13.507 -11.259  -1.228
  642   HH22  ARG  83          HH22      ARG  83 -14.547  -9.892  -0.907
  643    H    GLU  84           H        GLU  84  -5.293 -11.081   0.967
  644    HA   GLU  84           HA       GLU  84  -6.376  -9.788   3.413
  645    HB2  GLU  84           HB2      GLU  84  -3.557 -10.845   3.163
  646    HB3  GLU  84           HB3      GLU  84  -4.141  -9.755   4.414
  647    HG2  GLU  84           HG2      GLU  84  -5.125 -12.592   3.990
  648    HG3  GLU  84           HG3      GLU  84  -4.084 -12.009   5.264
  649    H    LEU  85           H        LEU  85  -3.717  -9.685   0.914
  650    HA   LEU  85           HA       LEU  85  -4.165  -6.753   0.689
  651    HB2  LEU  85           HB2      LEU  85  -1.478  -8.191   0.993
  652    HB3  LEU  85           HB3      LEU  85  -1.661  -6.556   0.381
  653    HG   LEU  85           HG       LEU  85  -0.902  -6.343   2.545
  654   HD11  LEU  85          HD11      LEU  85  -2.670  -5.093   3.668
  655   HD12  LEU  85          HD12      LEU  85  -2.697  -4.795   1.911
  656   HD13  LEU  85          HD13      LEU  85  -3.904  -5.872   2.657
  657   HD21  LEU  85          HD21      LEU  85  -1.760  -7.399   4.490
  658   HD22  LEU  85          HD22      LEU  85  -3.151  -8.069   3.609
  659   HD23  LEU  85          HD23      LEU  85  -1.504  -8.658   3.252
  660    H    ARG  86           H        ARG  86  -3.672  -5.854  -1.211
  661    HA   ARG  86           HA       ARG  86  -2.089  -7.222  -3.254
  662    HB2  ARG  86           HB2      ARG  86  -5.005  -6.431  -3.647
  663    HB3  ARG  86           HB3      ARG  86  -3.847  -6.466  -4.988
  664    HG2  ARG  86           HG2      ARG  86  -4.644  -8.826  -3.253
  665    HG3  ARG  86           HG3      ARG  86  -5.059  -8.557  -4.955
  666    HD2  ARG  86           HD2      ARG  86  -2.607  -8.608  -5.508
  667    HD3  ARG  86           HD3      ARG  86  -2.273  -8.997  -3.805
  668    HE   ARG  86           HE       ARG  86  -4.136 -10.802  -5.154
  669   HH11  ARG  86          HH11      ARG  86  -0.798 -10.127  -4.184
  670   HH12  ARG  86          HH12      ARG  86  -0.291 -11.793  -4.314
  671   HH21  ARG  86          HH21      ARG  86  -3.445 -12.986  -5.310
  672   HH22  ARG  86          HH22      ARG  86  -1.793 -13.413  -4.940
  673    H    VAL  87           H        VAL  87  -0.563  -5.725  -3.574
  674    HA   VAL  87           HA       VAL  87  -1.434  -2.924  -3.985
  675    HB   VAL  87           HB       VAL  87  -0.860  -2.756  -1.731
  676   HG11  VAL  87          HG11      VAL  87   0.114  -4.895  -1.286
  677   HG12  VAL  87          HG12      VAL  87   1.563  -4.470  -2.253
  678   HG13  VAL  87          HG13      VAL  87   1.212  -3.623  -0.730
  679   HG21  VAL  87          HG21      VAL  87   0.319  -1.096  -3.194
  680   HG22  VAL  87          HG22      VAL  87   1.168  -1.435  -1.666
  681   HG23  VAL  87          HG23      VAL  87   1.747  -2.150  -3.188
  682    H    GLN  88           H        GLN  88  -0.436  -1.862  -5.489
  683    HA   GLN  88           HA       GLN  88   2.113  -2.506  -6.695
  684    HB2  GLN  88           HB2      GLN  88  -0.209  -3.989  -7.544
  685    HB3  GLN  88           HB3      GLN  88   0.154  -2.823  -8.813
  686    HG2  GLN  88           HG2      GLN  88   2.193  -4.729  -7.574
  687    HG3  GLN  88           HG3      GLN  88   1.303  -5.066  -9.061
  688   HE21  GLN  88          HE22      GLN  88   4.279  -4.520  -8.349
  689   HE22  GLN  88          HE21      GLN  88   4.760  -3.356  -9.564
  690    H    MET  89           H        MET  89   2.247  -1.187  -8.811
  691    HA   MET  89           HA       MET  89   1.719   1.524  -8.085
  692    HB2  MET  89           HB2      MET  89   2.691   0.186 -10.634
  693    HB3  MET  89           HB3      MET  89   2.825   1.931 -10.293
  694    HG2  MET  89           HG2      MET  89   3.892  -0.195  -8.382
  695    HG3  MET  89           HG3      MET  89   4.872   0.407  -9.692
  696    HE1  MET  89           HE1      MET  89   6.260   1.998  -6.321
  697    HE2  MET  89           HE2      MET  89   5.375   0.457  -6.443
  698    HE3  MET  89           HE3      MET  89   6.600   0.884  -7.669
  699    H    ALA  90           H        ALA  90   0.332   3.044  -9.007
  700    HA   ALA  90           HA       ALA  90  -2.131   2.058 -10.267
  701    HB1  ALA  90           HB1      ALA  90  -1.196   4.892  -9.769
  702    HB2  ALA  90           HB2      ALA  90  -2.858   4.327 -10.106
  703    HB3  ALA  90           HB3      ALA  90  -2.061   3.892  -8.578
  704    H    ARG  91           H        ARG  91  -2.802   2.546 -12.369
  705    HA   ARG  91           HA       ARG  91  -0.928   3.918 -14.217
  706    HB2  ARG  91           HB2      ARG  91  -2.174   1.194 -14.799
  707    HB3  ARG  91           HB3      ARG  91  -1.183   2.149 -15.906
  708    HG2  ARG  91           HG2      ARG  91   0.759   1.949 -14.416
  709    HG3  ARG  91           HG3      ARG  91  -0.224   1.046 -13.235
  710    HD2  ARG  91           HD2      ARG  91  -0.655  -0.701 -14.945
  711    HD3  ARG  91           HD3      ARG  91   0.393   0.166 -16.084
  712    HE   ARG  91           HE       ARG  91   2.241  -0.692 -15.005
  713   HH11  ARG  91          HH11      ARG  91  -0.566  -1.015 -12.860
  714   HH12  ARG  91          HH12      ARG  91   0.325  -1.898 -11.649
  715   HH21  ARG  91          HH21      ARG  91   3.358  -1.869 -13.407
  716   HH22  ARG  91          HH22      ARG  91   2.531  -2.356 -11.939
  717    H    TYR  92           H        TYR  92  -3.510   4.371 -12.786
  718    HA   TYR  92           HA       TYR  92  -5.233   5.137 -15.059
  719    HB2  TYR  92           HB2      TYR  92  -5.850   2.852 -14.428
  720    HB3  TYR  92           HB3      TYR  92  -5.958   3.327 -12.735
  721    HD1  TYR  92           HD1      TYR  92  -7.420   5.573 -15.319
  722    HD2  TYR  92           HD2      TYR  92  -8.100   2.289 -12.629
  723    HE1  TYR  92           HE1      TYR  92  -9.861   5.946 -15.486
  724    HE2  TYR  92           HE2      TYR  92 -10.531   2.660 -12.758
  725    HH   TYR  92           HH       TYR  92 -11.949   5.255 -14.823
  726    H    GLY  93           H        GLY  93  -6.528   6.980 -14.473
  727    HA2  GLY  93           HA2      GLY  93  -5.418   8.373 -12.076
  728    HA3  GLY  93           HA3      GLY  93  -5.912   9.147 -13.578
  729    H    ARG  94           H        ARG  94  -6.898  10.380 -11.554
  730    HA   ARG  94           HA       ARG  94  -9.190   9.411 -10.229
  731    HB2  ARG  94           HB2      ARG  94  -8.194  12.171 -10.959
  732    HB3  ARG  94           HB3      ARG  94  -9.782  11.952 -10.203
  733    HG2  ARG  94           HG2      ARG  94  -8.745  10.714  -8.338
  734    HG3  ARG  94           HG3      ARG  94  -7.136  10.987  -9.042
  735    HD2  ARG  94           HD2      ARG  94  -7.382  13.390  -8.794
  736    HD3  ARG  94           HD3      ARG  94  -9.087  13.210  -8.320
  737    HE   ARG  94           HE       ARG  94  -7.595  11.702  -6.493
  738   HH11  ARG  94          HH11      ARG  94  -7.926  15.099  -7.423
  739   HH12  ARG  94          HH12      ARG  94  -7.514  15.690  -5.827
  740   HH21  ARG  94          HH21      ARG  94  -7.064  12.507  -4.428
  741   HH22  ARG  94          HH22      ARG  94  -7.023  14.232  -4.142
  742    HA   PRO  95           HA       PRO  95 -12.300   9.334 -13.332
  743    HB2  PRO  95           HB2      PRO  95 -14.553   9.593 -11.799
  744    HB3  PRO  95           HB3      PRO  95 -13.512   8.137 -11.752
  745    HG2  PRO  95           HG2      PRO  95 -13.505  10.504  -9.851
  746    HG3  PRO  95           HG3      PRO  95 -13.498   8.765  -9.426
  747    HD2  PRO  95           HD2      PRO  95 -11.215  10.238  -9.491
  748    HD3  PRO  95           HD3      PRO  95 -11.237   8.526 -10.006
  749    HA   PRO  96           HA       PRO  96 -13.323  13.721 -13.947
  750    HB2  PRO  96           HB2      PRO  96 -14.537  13.496 -16.375
  751    HB3  PRO  96           HB3      PRO  96 -12.759  13.351 -16.194
  752    HG2  PRO  96           HG2      PRO  96 -14.807  11.143 -16.418
  753    HG3  PRO  96           HG3      PRO  96 -13.235  11.280 -17.266
  754    HD2  PRO  96           HD2      PRO  96 -13.585   9.772 -14.981
  755    HD3  PRO  96           HD3      PRO  96 -12.039  10.595 -15.368
  756    H    ASP  97           H        ASP  97 -15.528  10.982 -14.586
  757    HA   ASP  97           HA       ASP  97 -17.493  11.887 -12.715
  758    HB2  ASP  97           HB2      ASP  97 -18.069  13.444 -14.517
  759    HB3  ASP  97           HB3      ASP  97 -18.140  12.104 -15.679
  760    H    SER  98           H        SER  98 -18.652  10.152 -12.084
  761    HA   SER  98           HA       SER  98 -19.140   7.846 -13.831
  762    HB2  SER  98           HB2      SER  98 -17.577   7.591 -11.232
  763    HB3  SER  98           HB3      SER  98 -18.171   6.243 -12.201
  764    HG   SER  98           HG       SER  98 -15.980   6.714 -12.652
  765    H    HIS  99           H        HIS  99 -20.423  10.062 -11.929
  766    HA   HIS  99           HA       HIS  99 -22.108   8.188 -10.358
  767    HB2  HIS  99           HB2      HIS  99 -21.767   9.473  -8.366
  768    HB3  HIS  99           HB3      HIS  99 -20.186   8.976  -8.981
  769    HD2  HIS  99           HD2      HIS  99 -18.494  10.859  -9.795
  770    HE1  HIS  99           HE1      HIS  99 -20.879  14.247  -8.837
  771    HE2  HIS  99           HE2      HIS  99 -18.567  13.460  -9.558
  772    H    HIS 100           H        HIS 100 -22.168  10.423 -12.707
  773    HA   HIS 100           HA       HIS 100 -24.891  11.313 -11.991
  774    HB2  HIS 100           HB2      HIS 100 -23.299  13.062 -11.165
  775    HB3  HIS 100           HB3      HIS 100 -22.690  13.249 -12.818
  776    HD2  HIS 100           HD2      HIS 100 -26.200  13.370 -11.058
  777    HE1  HIS 100           HE1      HIS 100 -26.082  16.477 -13.957
  778    HE2  HIS 100           HE2      HIS 100 -27.488  15.380 -12.149
  779    H    SER 101           H        SER 101 -25.831  12.546 -13.962
  780    HA   SER 101           HA       SER 101 -24.723  11.793 -16.563
  781    HB2  SER 101           HB2      SER 101 -25.900   9.721 -15.821
  782    HB3  SER 101           HB3      SER 101 -27.388  10.664 -15.604
  783    HG   SER 101           HG       SER 101 -27.287   9.654 -17.662
  784    H5'    U 102           H5'        U 102 -12.061  -6.775 -11.399
  785   H5''    U 102          H5''        U 102 -13.486  -5.718 -11.409
  786    H4'    U 102           H4'        U 102 -10.683  -4.778 -10.631
  787    H3'    U 102           H3'        U 102 -12.025  -6.564  -9.105
  788    H2'    U 102           H2'        U 102 -14.139  -5.449  -9.280
  789   HO2'    U 102          HO2'        U 102 -12.831  -4.596  -6.903
  790    H1'    U 102           H1'        U 102 -12.759  -2.851  -8.603
  791    H3     U 102           H3         U 102 -16.628  -2.077 -12.035
  792    H5     U 102           H5         U 102 -17.228  -1.858  -7.884
  793    H6     U 102           H6         U 102 -14.995  -2.807  -7.590
  794   HO5'    U 102          HO5'        U 102 -12.406  -4.390 -12.900
  795    H5'    G 103           H5'        G 103 -10.223  -3.184  -9.474
  796   H5''    G 103          H5''        G 103  -8.580  -3.318 -10.150
  797    H4'    G 103           H4'        G 103  -9.165  -1.508  -7.793
  798    H3'    G 103           H3'        G 103 -10.489  -1.314 -10.316
  799    H2'    G 103           H2'        G 103  -8.731  -0.372 -11.469
  800   HO2'    G 103          HO2'        G 103 -10.248   1.447 -10.820
  801    H1'    G 103           H1'        G 103  -7.718   0.814  -8.891
  802    H8     G 103           H8         G 103  -6.123   2.403 -10.174
  803    H1     G 103           H1         G 103  -3.374  -2.561 -13.188
  804    H21    G 103           H21        G 103  -4.645  -4.388 -12.924
  805    H22    G 103           H22        G 103  -6.132  -4.329 -12.003
  806    H5'    G 104           H5'        G 104 -10.578   3.056  -8.847
  807   H5''    G 104          H5''        G 104 -10.300   2.241  -7.292
  808    H4'    G 104           H4'        G 104 -12.280   3.758  -6.448
  809    H3'    G 104           H3'        G 104 -11.435   5.025  -9.054
  810    H2'    G 104           H2'        G 104 -11.615   7.145  -8.107
  811   HO2'    G 104          HO2'        G 104 -13.737   6.723  -7.246
  812    H1'    G 104           H1'        G 104 -10.843   6.447  -5.510
  813    H8     G 104           H8         G 104  -9.313   8.468  -5.774
  814    H1     G 104           H1         G 104  -6.238   5.833 -10.741
  815    H21    G 104           H21        G 104  -7.239   3.919 -11.309
  816    H22    G 104           H22        G 104  -8.585   3.271 -10.399
  817    H5'    A 105           H5'        A 105 -16.674   7.048  -9.496
  818   H5''    A 105          H5''        A 105 -15.447   8.019 -10.300
  819    H4'    A 105           H4'        A 105 -15.877   9.796  -9.004
  820    H3'    A 105           H3'        A 105 -14.837   8.241  -6.936
  821    H2'    A 105           H2'        A 105 -16.592   7.493  -5.681
  822   HO2'    A 105          HO2'        A 105 -17.474  10.175  -5.747
  823    H1'    A 105           H1'        A 105 -18.926   8.535  -6.853
  824    H8     A 105           H8         A 105 -16.235   5.986  -6.844
  825    H61    A 105           H61        A 105 -20.394   1.982  -9.153
  826    H62    A 105           H62        A 105 -18.769   2.131  -8.506
  827    H2     A 105           H2         A 105 -22.171   6.049  -9.159
  828    H5'    G 106           H5'        G 106 -16.094  10.966  -4.045
  829   H5''    G 106          H5''        G 106 -17.453  12.031  -4.413
  830    H4'    G 106           H4'        G 106 -16.697  12.681  -2.293
  831    H3'    G 106           H3'        G 106 -16.763  14.606  -4.223
  832    H2'    G 106           H2'        G 106 -14.616  14.236  -5.069
  833   HO2'    G 106          HO2'        G 106 -14.086  16.104  -3.012
  834    H1'    G 106           H1'        G 106 -13.289  14.102  -2.370
  835    H8     G 106           H8         G 106 -13.421  13.029  -6.017
  836    H1     G 106           H1         G 106  -8.524  10.568  -2.677
  837    H21    G 106           H21        G 106  -8.804  10.969  -0.522
  838    H22    G 106           H22        G 106 -10.199  11.829   0.095
  839    H5'    U 107           H5'        U 107 -17.133  18.064   0.542
  840   H5''    U 107          H5''        U 107 -18.185  18.061  -0.878
  841    H4'    U 107           H4'        U 107 -15.247  17.334  -1.117
  842    H3'    U 107           H3'        U 107 -15.822  19.727   0.024
  843   HO3'    U 107          HO3'        U 107 -14.044  20.574  -1.155
  844    H2'    U 107           H2'        U 107 -17.512  20.272  -1.535
  845   HO2'    U 107          HO2'        U 107 -16.038  22.043  -1.460
  846    H1'    U 107           H1'        U 107 -15.640  19.520  -3.782
  847    H3     U 107           H3         U 107 -18.613  20.559  -6.973
  848    H5     U 107           H5         U 107 -21.054  19.095  -3.878
  849    H6     U 107           H6         U 107 -19.054  18.742  -2.549
  Start of MODEL    2
    1    H    MET   1           H1       MET   1 -14.805  14.609  11.305
    2    HA   MET   1           HA       MET   1 -14.653  15.600   9.146
    3    HB2  MET   1           HB2      MET   1 -12.276  16.133   9.178
    4    HB3  MET   1           HB3      MET   1 -12.915  16.098  10.832
    5    HG2  MET   1           HG2      MET   1 -12.014  13.809  11.126
    6    HG3  MET   1           HG3      MET   1 -11.377  13.847   9.477
    7    HE1  MET   1           HE1      MET   1  -8.156  13.954  11.658
    8    HE2  MET   1           HE2      MET   1  -9.672  13.072  11.991
    9    HE3  MET   1           HE3      MET   1  -9.027  13.138  10.334
   10    H    SER   2           H        SER   2 -13.373  15.618   7.084
   11    HA   SER   2           HA       SER   2 -12.629  12.964   6.041
   12    HB2  SER   2           HB2      SER   2 -14.195  13.104   4.192
   13    HB3  SER   2           HB3      SER   2 -15.088  13.165   5.729
   14    HG   SER   2           HG       SER   2 -15.792  14.767   4.255
   15    H    TYR   3           H        TYR   3 -11.988  13.255   3.644
   16    HA   TYR   3           HA       TYR   3  -9.837  15.094   3.450
   17    HB2  TYR   3           HB2      TYR   3 -11.419  13.481   1.412
   18    HB3  TYR   3           HB3      TYR   3  -9.971  14.378   0.993
   19    HD1  TYR   3           HD1      TYR   3 -11.311  11.467   2.824
   20    HD2  TYR   3           HD2      TYR   3  -7.771  13.650   1.747
   21    HE1  TYR   3           HE1      TYR   3  -9.909   9.542   3.547
   22    HE2  TYR   3           HE2      TYR   3  -6.360  11.723   2.455
   23    HH   TYR   3           HH       TYR   3  -7.778   8.717   3.763
   24    H    GLY   4           H        GLY   4 -13.128  15.125   2.044
   25    HA2  GLY   4           HA2      GLY   4 -14.460  16.924   1.433
   26    HA3  GLY   4           HA3      GLY   4 -13.148  18.034   1.839
   27    H    ARG   5           H        ARG   5 -11.205  17.901   0.341
   28    HA   ARG   5           HA       ARG   5 -11.471  17.105  -2.386
   29    HB2  ARG   5           HB2      ARG   5 -11.966  19.354  -3.395
   30    HB3  ARG   5           HB3      ARG   5 -13.293  18.405  -2.746
   31    HG2  ARG   5           HG2      ARG   5 -13.316  19.730  -0.682
   32    HG3  ARG   5           HG3      ARG   5 -11.953  20.724  -1.284
   33    HD2  ARG   5           HD2      ARG   5 -14.561  20.236  -2.725
   34    HD3  ARG   5           HD3      ARG   5 -14.322  21.620  -1.623
   35    HE   ARG   5           HE       ARG   5 -12.223  21.676  -3.521
   36   HH11  ARG   5          HH11      ARG   5 -15.725  22.001  -3.426
   37   HH12  ARG   5          HH12      ARG   5 -15.806  23.038  -4.833
   38   HH21  ARG   5          HH21      ARG   5 -12.325  23.042  -5.365
   39   HH22  ARG   5          HH22      ARG   5 -13.868  23.641  -5.919
   40    HA   PRO   6           HA       PRO   6  -7.589  19.403  -0.956
   41    HB2  PRO   6           HB2      PRO   6  -5.876  17.379  -0.379
   42    HB3  PRO   6           HB3      PRO   6  -7.117  17.916   0.802
   43    HG2  PRO   6           HG2      PRO   6  -7.281  15.582  -1.132
   44    HG3  PRO   6           HG3      PRO   6  -7.637  15.591   0.630
   45    HD2  PRO   6           HD2      PRO   6  -9.609  15.859  -1.252
   46    HD3  PRO   6           HD3      PRO   6  -9.670  16.721   0.314
   47    HA   PRO   7           HA       PRO   7  -5.890  18.554  -5.075
   48    HB2  PRO   7           HB2      PRO   7  -4.066  20.548  -5.173
   49    HB3  PRO   7           HB3      PRO   7  -5.827  20.888  -5.212
   50    HG2  PRO   7           HG2      PRO   7  -3.953  21.023  -2.822
   51    HG3  PRO   7           HG3      PRO   7  -5.156  22.235  -3.358
   52    HD2  PRO   7           HD2      PRO   7  -5.656  20.343  -1.409
   53    HD3  PRO   7           HD3      PRO   7  -6.936  20.980  -2.494
   54    HA   PRO   8           HA       PRO   8  -2.382  16.223  -3.365
   55    HB2  PRO   8           HB2      PRO   8  -2.412  14.147  -5.043
   56    HB3  PRO   8           HB3      PRO   8  -3.788  14.404  -3.932
   57    HG2  PRO   8           HG2      PRO   8  -3.609  15.290  -6.833
   58    HG3  PRO   8           HG3      PRO   8  -4.917  14.326  -6.061
   59    HD2  PRO   8           HD2      PRO   8  -5.045  17.064  -6.336
   60    HD3  PRO   8           HD3      PRO   8  -5.756  16.205  -4.938
   61    H    ASP   9           H        ASP   9  -0.576  14.947  -4.962
   62    HA   ASP   9           HA       ASP   9   0.367  16.909  -6.977
   63    HB2  ASP   9           HB2      ASP   9   2.586  16.842  -6.069
   64    HB3  ASP   9           HB3      ASP   9   1.477  17.281  -4.765
   65    H    VAL  10           H        VAL  10  -1.047  14.362  -7.218
   66    HA   VAL  10           HA       VAL  10   0.521  12.111  -7.700
   67    HB   VAL  10           HB       VAL  10  -1.351  11.303  -9.007
   68   HG11  VAL  10          HG11      VAL  10  -1.643  11.547  -6.537
   69   HG12  VAL  10          HG12      VAL  10  -2.382  13.145  -6.812
   70   HG13  VAL  10          HG13      VAL  10  -3.176  11.691  -7.436
   71   HG21  VAL  10          HG21      VAL  10  -1.758  13.268 -10.451
   72   HG22  VAL  10          HG22      VAL  10  -3.240  12.799  -9.604
   73   HG23  VAL  10          HG23      VAL  10  -2.316  14.200  -9.037
   74    H    GLU  11           H        GLU  11   0.455  15.026  -9.562
   75    HA   GLU  11           HA       GLU  11   1.108  13.815 -12.108
   76    HB2  GLU  11           HB2      GLU  11   1.341  16.691 -11.137
   77    HB3  GLU  11           HB3      GLU  11   1.404  16.148 -12.829
   78    HG2  GLU  11           HG2      GLU  11  -0.875  15.172 -12.563
   79    HG3  GLU  11           HG3      GLU  11  -0.946  15.809 -10.920
   80    H    GLY  12           H        GLY  12   2.906  13.855  -9.370
   81    HA2  GLY  12           HA2      GLY  12   5.424  13.774 -10.882
   82    HA3  GLY  12           HA3      GLY  12   5.301  15.022  -9.633
   83    H    MET  13           H        MET  13   3.514  12.082  -8.944
   84    HA   MET  13           HA       MET  13   5.864  10.934  -7.572
   85    HB2  MET  13           HB2      MET  13   4.759  10.786  -5.420
   86    HB3  MET  13           HB3      MET  13   4.953  12.448  -5.961
   87    HG2  MET  13           HG2      MET  13   2.828  12.364  -5.009
   88    HG3  MET  13           HG3      MET  13   2.527  12.380  -6.746
   89    HE1  MET  13           HE1      MET  13   0.128  11.844  -5.294
   90    HE2  MET  13           HE2      MET  13  -0.204  10.236  -4.614
   91    HE3  MET  13           HE3      MET  13   0.944  11.332  -3.802
   92    H    THR  14           H        THR  14   5.300   8.876  -6.410
   93    HA   THR  14           HA       THR  14   4.953   7.068  -8.534
   94    HB   THR  14           HB       THR  14   5.282   6.772  -5.531
   95   HG21  THR  14          HG21      THR  14   4.241   4.699  -6.338
   96   HG22  THR  14          HG22      THR  14   5.415   4.610  -7.677
   97   HG23  THR  14          HG23      THR  14   5.962   4.438  -5.991
   98    H    SER  15           H        SER  15   2.505   8.084  -6.193
   99    HA   SER  15           HA       SER  15   0.402   7.325  -5.757
  100    HB2  SER  15           HB2      SER  15   0.503   7.115  -8.781
  101    HB3  SER  15           HB3      SER  15  -0.988   7.035  -7.818
  102    HG   SER  15           HG       SER  15   0.861   9.180  -7.919
  103    H    LEU  16           H        LEU  16   2.208   5.174  -5.296
  104    HA   LEU  16           HA       LEU  16   1.418   2.764  -6.645
  105    HB2  LEU  16           HB2      LEU  16   3.482   2.814  -5.590
  106    HB3  LEU  16           HB3      LEU  16   2.840   3.414  -4.068
  107    HG   LEU  16           HG       LEU  16   3.702   1.105  -4.001
  108   HD11  LEU  16          HD11      LEU  16   0.738   1.123  -3.372
  109   HD12  LEU  16          HD12      LEU  16   2.035   0.192  -2.606
  110   HD13  LEU  16          HD13      LEU  16   1.980   1.947  -2.391
  111   HD21  LEU  16          HD21      LEU  16   2.928   0.424  -6.270
  112   HD22  LEU  16          HD22      LEU  16   2.563  -0.740  -4.983
  113   HD23  LEU  16          HD23      LEU  16   1.271   0.305  -5.596
  114    H    LYS  17           H        LYS  17  -0.191   1.304  -6.310
  115    HA   LYS  17           HA       LYS  17  -2.459   2.336  -4.706
  116    HB2  LYS  17           HB2      LYS  17  -2.869   2.026  -7.054
  117    HB3  LYS  17           HB3      LYS  17  -2.212   0.377  -7.014
  118    HG2  LYS  17           HG2      LYS  17  -4.057  -0.266  -5.429
  119    HG3  LYS  17           HG3      LYS  17  -4.779   1.334  -5.683
  120    HD2  LYS  17           HD2      LYS  17  -5.140   0.816  -8.032
  121    HD3  LYS  17           HD3      LYS  17  -4.158  -0.666  -7.901
  122    HE2  LYS  17           HE2      LYS  17  -5.774  -1.410  -6.065
  123    HE3  LYS  17           HE3      LYS  17  -6.836  -0.097  -6.593
  124    HZ1  LYS  17           HZ1      LYS  17  -7.373  -2.203  -7.628
  125    HZ2  LYS  17           HZ2      LYS  17  -6.886  -1.132  -8.771
  126    HZ3  LYS  17           HZ3      LYS  17  -5.867  -2.326  -8.267
  127    H    VAL  18           H        VAL  18  -3.597   1.132  -3.260
  128    HA   VAL  18           HA       VAL  18  -2.791  -1.717  -2.775
  129    HB   VAL  18           HB       VAL  18  -3.764   0.311  -0.728
  130   HG11  VAL  18          HG11      VAL  18  -3.245  -2.674  -0.570
  131   HG12  VAL  18          HG12      VAL  18  -3.282  -1.618   0.861
  132   HG13  VAL  18          HG13      VAL  18  -4.727  -1.788  -0.155
  133   HG21  VAL  18          HG21      VAL  18  -1.333   0.542  -1.347
  134   HG22  VAL  18          HG22      VAL  18  -1.596   0.029   0.332
  135   HG23  VAL  18          HG23      VAL  18  -1.098  -1.160  -0.880
  136    H    ASP  19           H        ASP  19  -4.545  -3.128  -2.470
  137    HA   ASP  19           HA       ASP  19  -7.285  -2.162  -2.174
  138    HB2  ASP  19           HB2      ASP  19  -8.120  -3.309  -4.167
  139    HB3  ASP  19           HB3      ASP  19  -6.988  -2.031  -4.607
  140    H    ASN  20           H        ASN  20  -8.761  -4.305  -2.378
  141    HA   ASN  20           HA       ASN  20  -9.195  -6.508  -2.008
  142    HB2  ASN  20           HB2      ASN  20  -6.890  -6.849  -2.952
  143    HB3  ASN  20           HB3      ASN  20  -6.304  -6.995  -1.278
  144   HD21  ASN  20          HD22      ASN  20  -5.776  -9.108  -1.170
  145   HD22  ASN  20          HD21      ASN  20  -6.809 -10.432  -1.685
  146    H    LEU  21           H        LEU  21  -9.599  -4.506  -0.059
  147    HA   LEU  21           HA       LEU  21  -8.759  -5.166   2.564
  148    HB2  LEU  21           HB2      LEU  21 -11.259  -3.878   1.394
  149    HB3  LEU  21           HB3      LEU  21 -11.003  -4.029   3.118
  150    HG   LEU  21           HG       LEU  21 -10.365  -1.809   1.824
  151   HD11  LEU  21          HD11      LEU  21  -8.603  -3.039   3.953
  152   HD12  LEU  21          HD12      LEU  21  -8.823  -1.294   3.621
  153   HD13  LEU  21          HD13      LEU  21 -10.181  -2.263   4.235
  154   HD21  LEU  21          HD21      LEU  21  -8.699  -2.820   0.263
  155   HD22  LEU  21          HD22      LEU  21  -7.938  -1.653   1.370
  156   HD23  LEU  21          HD23      LEU  21  -7.752  -3.379   1.664
  157    H    THR  22           H        THR  22  -9.451  -6.643   4.014
  158    HA   THR  22           HA       THR  22 -11.221  -8.763   3.108
  159    HB   THR  22           HB       THR  22 -10.077  -8.329   5.893
  160   HG21  THR  22          HG21      THR  22 -10.885 -10.787   4.297
  161   HG22  THR  22          HG22      THR  22  -9.980 -10.842   5.833
  162   HG23  THR  22          HG23      THR  22 -11.618 -10.177   5.809
  163    H    TYR  23           H        TYR  23 -13.043  -9.480   4.585
  164    HA   TYR  23           HA       TYR  23 -15.024  -7.468   4.823
  165    HB2  TYR  23           HB2      TYR  23 -16.332  -9.289   5.872
  166    HB3  TYR  23           HB3      TYR  23 -15.503  -9.826   4.407
  167    HD1  TYR  23           HD1      TYR  23 -13.584 -11.360   4.518
  168    HD2  TYR  23           HD2      TYR  23 -15.685 -10.144   8.070
  169    HE1  TYR  23           HE1      TYR  23 -12.513 -13.208   5.779
  170    HE2  TYR  23           HE2      TYR  23 -14.588 -11.975   9.345
  171    HH   TYR  23           HH       TYR  23 -12.262 -14.223   7.801
  172    H    ARG  24           H        ARG  24 -12.410  -7.536   6.713
  173    HA   ARG  24           HA       ARG  24 -13.820  -6.641   9.173
  174    HB2  ARG  24           HB2      ARG  24 -12.172  -7.927  10.499
  175    HB3  ARG  24           HB3      ARG  24 -13.139  -8.976   9.446
  176    HG2  ARG  24           HG2      ARG  24 -11.240  -8.816   7.726
  177    HG3  ARG  24           HG3      ARG  24 -10.260  -8.077   9.019
  178    HD2  ARG  24           HD2      ARG  24 -10.660 -10.041  10.429
  179    HD3  ARG  24           HD3      ARG  24 -11.722 -10.730   9.172
  180    HE   ARG  24           HE       ARG  24  -9.225 -10.258   7.956
  181   HH11  ARG  24          HH11      ARG  24 -10.530 -12.274  10.554
  182   HH12  ARG  24          HH12      ARG  24  -9.370 -13.558  10.298
  183   HH21  ARG  24          HH21      ARG  24  -7.771 -11.985   7.603
  184   HH22  ARG  24          HH22      ARG  24  -7.789 -13.375   8.659
  185    H    THR  25           H        THR  25 -12.362  -5.358   6.802
  186    HA   THR  25           HA       THR  25 -10.369  -3.820   8.419
  187    HB   THR  25           HB       THR  25 -10.130  -4.256   5.433
  188   HG21  THR  25          HG21      THR  25  -8.156  -3.572   7.669
  189   HG22  THR  25          HG22      THR  25  -7.714  -3.865   5.976
  190   HG23  THR  25          HG23      THR  25  -8.719  -2.466   6.388
  191    H    SER  26           H        SER  26  -9.955  -1.599   7.493
  192    HA   SER  26           HA       SER  26 -12.268  -0.333   6.155
  193    HB2  SER  26           HB2      SER  26 -12.630   1.188   8.064
  194    HB3  SER  26           HB3      SER  26 -12.795  -0.488   8.617
  195    HG   SER  26           HG       SER  26 -11.468   0.753   9.996
  196    HA   PRO  27           HA       PRO  27  -9.066   2.252   4.659
  197    HB2  PRO  27           HB2      PRO  27 -10.104   4.783   4.522
  198    HB3  PRO  27           HB3      PRO  27 -10.654   3.433   3.488
  199    HG2  PRO  27           HG2      PRO  27 -11.893   4.464   6.051
  200    HG3  PRO  27           HG3      PRO  27 -12.718   4.085   4.503
  201    HD2  PRO  27           HD2      PRO  27 -12.673   2.339   6.588
  202    HD3  PRO  27           HD3      PRO  27 -12.596   1.761   4.909
  203    H    ASP  28           H        ASP  28 -10.475   3.230   7.747
  204    HA   ASP  28           HA       ASP  28  -8.390   5.116   8.437
  205    HB2  ASP  28           HB2      ASP  28 -10.635   4.882   9.598
  206    HB3  ASP  28           HB3      ASP  28 -10.004   3.383  10.328
  207    H    THR  29           H        THR  29  -8.791   1.589   8.727
  208    HA   THR  29           HA       THR  29  -6.339   1.227  10.250
  209    HB   THR  29           HB       THR  29  -8.020  -0.727   8.618
  210   HG21  THR  29          HG21      THR  29  -5.781  -1.112  10.654
  211   HG22  THR  29          HG22      THR  29  -6.837  -2.420  10.048
  212   HG23  THR  29          HG23      THR  29  -5.761  -1.565   8.927
  213    H    LEU  30           H        LEU  30  -7.328   0.961   6.788
  214    HA   LEU  30           HA       LEU  30  -4.853   0.026   5.814
  215    HB2  LEU  30           HB2      LEU  30  -7.327   1.016   4.783
  216    HB3  LEU  30           HB3      LEU  30  -6.040   1.931   3.983
  217    HG   LEU  30           HG       LEU  30  -6.756  -0.155   2.775
  218   HD11  LEU  30          HD11      LEU  30  -4.518   0.713   2.351
  219   HD12  LEU  30          HD12      LEU  30  -3.892  -0.115   3.790
  220   HD13  LEU  30          HD13      LEU  30  -4.477  -1.063   2.402
  221   HD21  LEU  30          HD21      LEU  30  -7.101  -1.502   4.938
  222   HD22  LEU  30          HD22      LEU  30  -6.242  -2.336   3.614
  223   HD23  LEU  30          HD23      LEU  30  -5.340  -1.693   4.990
  224    H    ARG  31           H        ARG  31  -5.690   3.162   7.073
  225    HA   ARG  31           HA       ARG  31  -3.453   4.522   5.761
  226    HB2  ARG  31           HB2      ARG  31  -5.501   5.763   6.358
  227    HB3  ARG  31           HB3      ARG  31  -5.301   5.293   8.056
  228    HG2  ARG  31           HG2      ARG  31  -4.520   7.625   7.641
  229    HG3  ARG  31           HG3      ARG  31  -3.215   6.578   8.213
  230    HD2  ARG  31           HD2      ARG  31  -2.431   6.303   5.856
  231    HD3  ARG  31           HD3      ARG  31  -3.727   7.399   5.323
  232    HE   ARG  31           HE       ARG  31  -1.668   8.265   7.303
  233   HH11  ARG  31          HH11      ARG  31  -3.280   8.719   4.183
  234   HH12  ARG  31          HH12      ARG  31  -2.416  10.204   3.845
  235   HH21  ARG  31          HH21      ARG  31  -0.608  10.174   6.845
  236   HH22  ARG  31          HH22      ARG  31  -0.931  11.053   5.364
  237    H    ARG  32           H        ARG  32  -4.250   3.595   9.188
  238    HA   ARG  32           HA       ARG  32  -1.701   4.361  10.194
  239    HB2  ARG  32           HB2      ARG  32  -2.384   3.420  12.198
  240    HB3  ARG  32           HB3      ARG  32  -3.950   3.731  11.407
  241    HG2  ARG  32           HG2      ARG  32  -3.920   1.392  10.545
  242    HG3  ARG  32           HG3      ARG  32  -2.428   1.075  11.466
  243    HD2  ARG  32           HD2      ARG  32  -5.085   1.914  12.600
  244    HD3  ARG  32           HD3      ARG  32  -4.413   0.251  12.552
  245    HE   ARG  32           HE       ARG  32  -2.485   1.819  13.828
  246   HH11  ARG  32          HH11      ARG  32  -5.858   0.926  14.434
  247   HH12  ARG  32          HH12      ARG  32  -5.708   1.071  16.170
  248   HH21  ARG  32          HH21      ARG  32  -2.320   1.977  16.103
  249   HH22  ARG  32          HH22      ARG  32  -3.720   1.665  17.105
  250    H    VAL  33           H        VAL  33  -2.785   1.495   8.466
  251    HA   VAL  33           HA       VAL  33  -0.675  -0.207   9.436
  252    HB   VAL  33           HB       VAL  33  -2.830  -0.465   7.322
  253   HG11  VAL  33          HG11      VAL  33  -0.770  -2.539   8.170
  254   HG12  VAL  33          HG12      VAL  33  -2.250  -2.876   7.235
  255   HG13  VAL  33          HG13      VAL  33  -0.987  -1.836   6.545
  256   HG21  VAL  33          HG21      VAL  33  -2.323  -1.814  10.018
  257   HG22  VAL  33          HG22      VAL  33  -3.505  -0.524   9.710
  258   HG23  VAL  33          HG23      VAL  33  -3.715  -2.110   8.941
  259    H    PHE  34           H        PHE  34  -1.262   1.799   6.527
  260    HA   PHE  34           HA       PHE  34   1.278   0.818   5.325
  261    HB2  PHE  34           HB2      PHE  34  -1.239   2.064   4.271
  262    HB3  PHE  34           HB3      PHE  34   0.249   2.257   3.369
  263    HD1  PHE  34           HD2      PHE  34  -2.119  -0.267   4.747
  264    HD2  PHE  34           HD1      PHE  34   1.221   0.424   2.126
  265    HE1  PHE  34           HE2      PHE  34  -2.416  -2.522   3.756
  266    HE2  PHE  34           HE1      PHE  34   0.925  -1.813   1.145
  267    HZ   PHE  34           HZ       PHE  34  -0.892  -3.299   1.943
  268    H    GLU  35           H        GLU  35   0.107   3.428   7.212
  269    HA   GLU  35           HA       GLU  35   1.830   5.476   6.085
  270    HB2  GLU  35           HB2      GLU  35  -0.176   6.075   7.296
  271    HB3  GLU  35           HB3      GLU  35   0.369   5.181   8.734
  272    HG2  GLU  35           HG2      GLU  35   2.150   6.739   9.124
  273    HG3  GLU  35           HG3      GLU  35   1.863   7.556   7.568
  274    H    LYS  36           H        LYS  36   2.292   2.793   8.337
  275    HA   LYS  36           HA       LYS  36   4.540   3.944   9.716
  276    HB2  LYS  36           HB2      LYS  36   4.901   1.716  10.587
  277    HB3  LYS  36           HB3      LYS  36   3.163   2.097  10.616
  278    HG2  LYS  36           HG2      LYS  36   2.925   0.790   8.472
  279    HG3  LYS  36           HG3      LYS  36   4.637   0.324   8.627
  280    HD2  LYS  36           HD2      LYS  36   4.124  -0.641  10.884
  281    HD3  LYS  36           HD3      LYS  36   2.418  -0.221  10.648
  282    HE2  LYS  36           HE2      LYS  36   2.676  -2.538  10.088
  283    HE3  LYS  36           HE3      LYS  36   2.409  -1.655   8.583
  284    HZ1  LYS  36           HZ1      LYS  36   4.191  -3.230   8.374
  285    HZ2  LYS  36           HZ2      LYS  36   4.783  -1.707   8.207
  286    HZ3  LYS  36           HZ3      LYS  36   5.027  -2.534   9.612
  287    H    TYR  37           H        TYR  37   4.201   2.382   6.618
  288    HA   TYR  37           HA       TYR  37   6.992   1.682   6.306
  289    HB2  TYR  37           HB2      TYR  37   4.750   2.116   4.301
  290    HB3  TYR  37           HB3      TYR  37   6.358   1.543   3.868
  291    HD1  TYR  37           HD2      TYR  37   3.321   0.719   5.880
  292    HD2  TYR  37           HD1      TYR  37   6.997  -0.715   4.174
  293    HE1  TYR  37           HE2      TYR  37   2.675  -1.599   6.455
  294    HE2  TYR  37           HE1      TYR  37   6.365  -3.046   4.752
  295    HH   TYR  37           HH       TYR  37   4.809  -4.399   5.726
  296    H    GLY  38           H        GLY  38   5.227   4.677   6.152
  297    HA2  GLY  38           HA2      GLY  38   7.450   6.288   6.276
  298    HA3  GLY  38           HA3      GLY  38   7.200   6.079   4.531
  299    H    ARG  39           H        ARG  39   5.036   6.621   3.643
  300    HA   ARG  39           HA       ARG  39   3.116   8.080   5.232
  301    HB2  ARG  39           HB2      ARG  39   3.358  10.206   3.912
  302    HB3  ARG  39           HB3      ARG  39   4.661   9.910   5.073
  303    HG2  ARG  39           HG2      ARG  39   6.143   9.143   3.272
  304    HG3  ARG  39           HG3      ARG  39   4.831   9.285   2.092
  305    HD2  ARG  39           HD2      ARG  39   6.209  11.269   1.895
  306    HD3  ARG  39           HD3      ARG  39   4.677  11.740   2.642
  307    HE   ARG  39           HE       ARG  39   5.792  12.249   4.617
  308   HH11  ARG  39          HH11      ARG  39   7.965  10.472   2.459
  309   HH12  ARG  39          HH12      ARG  39   9.378  10.800   3.429
  310   HH21  ARG  39          HH21      ARG  39   7.657  12.642   5.868
  311   HH22  ARG  39          HH22      ARG  39   9.202  12.013   5.352
  312    H    VAL  40           H        VAL  40   1.331   8.856   3.929
  313    HA   VAL  40           HA       VAL  40   1.053   7.504   1.297
  314    HB   VAL  40           HB       VAL  40  -0.914   7.361   3.632
  315   HG11  VAL  40          HG11      VAL  40  -1.021   6.148   0.833
  316   HG12  VAL  40          HG12      VAL  40  -2.160   5.807   2.158
  317   HG13  VAL  40          HG13      VAL  40  -2.074   7.438   1.471
  318   HG21  VAL  40          HG21      VAL  40   0.998   5.846   3.983
  319   HG22  VAL  40          HG22      VAL  40  -0.461   4.930   3.563
  320   HG23  VAL  40          HG23      VAL  40   0.794   5.204   2.334
  321    H    GLY  41           H        GLY  41  -0.341   8.661  -0.132
  322    HA2  GLY  41           HA2      GLY  41  -0.725  11.476   0.680
  323    HA3  GLY  41           HA3      GLY  41  -0.752  10.808  -0.969
  324    H    ASP  42           H        ASP  42  -2.564   8.550  -0.046
  325    HA   ASP  42           HA       ASP  42  -4.981   9.846   0.916
  326    HB2  ASP  42           HB2      ASP  42  -4.906  10.547  -1.494
  327    HB3  ASP  42           HB3      ASP  42  -4.847   8.837  -1.957
  328    H    VAL  43           H        VAL  43  -6.534   8.405   1.525
  329    HA   VAL  43           HA       VAL  43  -6.313   5.540   0.791
  330    HB   VAL  43           HB       VAL  43  -6.699   6.560   3.646
  331   HG11  VAL  43          HG11      VAL  43  -8.139   4.667   3.173
  332   HG12  VAL  43          HG12      VAL  43  -6.800   3.770   2.435
  333   HG13  VAL  43          HG13      VAL  43  -6.765   4.129   4.171
  334   HG21  VAL  43          HG21      VAL  43  -4.475   4.853   2.481
  335   HG22  VAL  43          HG22      VAL  43  -4.320   6.575   2.915
  336   HG23  VAL  43          HG23      VAL  43  -4.659   5.367   4.175
  337    H    TYR  44           H        TYR  44  -8.244   5.131  -0.184
  338    HA   TYR  44           HA       TYR  44 -10.662   6.569   0.751
  339    HB2  TYR  44           HB2      TYR  44  -9.466   8.064  -0.735
  340    HB3  TYR  44           HB3      TYR  44  -9.257   6.790  -1.926
  341    HD1  TYR  44           HD2      TYR  44 -12.050   8.635  -0.151
  342    HD2  TYR  44           HD1      TYR  44 -10.584   6.764  -3.735
  343    HE1  TYR  44           HE2      TYR  44 -14.089   9.358  -1.353
  344    HE2  TYR  44           HE1      TYR  44 -12.569   7.554  -4.975
  345    HH   TYR  44           HH       TYR  44 -14.599   8.705  -4.828
  346    H    ILE  45           H        ILE  45 -12.604   5.786  -0.363
  347    HA   ILE  45           HA       ILE  45 -12.306   2.956  -1.252
  348    HB   ILE  45           HB       ILE  45 -14.189   4.006   0.882
  349   HG12  ILE  45          HG12      ILE  45 -11.650   2.405   0.758
  350   HG13  ILE  45          HG13      ILE  45 -12.118   3.695   1.874
  351   HG21  ILE  45          HG21      ILE  45 -13.965   1.211  -0.315
  352   HG22  ILE  45          HG22      ILE  45 -14.978   1.691   1.068
  353   HG23  ILE  45          HG23      ILE  45 -15.336   2.327  -0.540
  354   HD11  ILE  45          HD11      ILE  45 -13.123   0.814   1.862
  355   HD12  ILE  45          HD12      ILE  45 -11.999   1.533   3.009
  356   HD13  ILE  45          HD13      ILE  45 -13.696   2.098   2.973
  357    HA   PRO  46           HA       PRO  46 -14.693   4.970  -4.577
  358    HB2  PRO  46           HB2      PRO  46 -13.897   2.223  -5.558
  359    HB3  PRO  46           HB3      PRO  46 -13.991   3.757  -6.489
  360    HG2  PRO  46           HG2      PRO  46 -11.581   2.906  -5.657
  361    HG3  PRO  46           HG3      PRO  46 -12.053   4.618  -5.379
  362    HD2  PRO  46           HD2      PRO  46 -12.143   2.331  -3.401
  363    HD3  PRO  46           HD3      PRO  46 -11.511   3.992  -3.178
  364    H    ARG  47           H        ARG  47 -16.834   4.745  -4.910
  365    HA   ARG  47           HA       ARG  47 -18.294   2.269  -4.494
  366    HB2  ARG  47           HB2      ARG  47 -19.547   3.074  -2.515
  367    HB3  ARG  47           HB3      ARG  47 -17.826   2.937  -2.144
  368    HG2  ARG  47           HG2      ARG  47 -17.619   5.430  -2.687
  369    HG3  ARG  47           HG3      ARG  47 -19.389   5.479  -2.747
  370    HD2  ARG  47           HD2      ARG  47 -19.443   4.578  -0.411
  371    HD3  ARG  47           HD3      ARG  47 -17.678   4.613  -0.380
  372    HE   ARG  47           HE       ARG  47 -19.489   6.872  -0.093
  373   HH11  ARG  47          HH11      ARG  47 -16.206   5.934  -1.053
  374   HH12  ARG  47          HH12      ARG  47 -15.553   7.523  -0.744
  375   HH21  ARG  47          HH21      ARG  47 -18.593   8.923   0.282
  376   HH22  ARG  47          HH22      ARG  47 -16.891   9.205   0.020
  377    H    ASP  48           H        ASP  48 -20.683   2.677  -4.854
  378    HA   ASP  48           HA       ASP  48 -21.108   4.752  -6.820
  379    HB2  ASP  48           HB2      ASP  48 -23.035   2.989  -5.277
  380    HB3  ASP  48           HB3      ASP  48 -23.492   4.059  -6.624
  381    H    ARG  49           H        ARG  49 -21.379   6.803  -6.453
  382    HA   ARG  49           HA       ARG  49 -21.100   7.841  -3.831
  383    HB2  ARG  49           HB2      ARG  49 -20.835   9.922  -4.954
  384    HB3  ARG  49           HB3      ARG  49 -20.119   8.620  -5.948
  385    HG2  ARG  49           HG2      ARG  49 -22.192   8.594  -7.332
  386    HG3  ARG  49           HG3      ARG  49 -22.731  10.068  -6.476
  387    HD2  ARG  49           HD2      ARG  49 -20.121   9.713  -8.008
  388    HD3  ARG  49           HD3      ARG  49 -21.529  10.612  -8.597
  389    HE   ARG  49           HE       ARG  49 -19.538  11.461  -6.636
  390   HH11  ARG  49          HH11      ARG  49 -22.779  12.039  -7.928
  391   HH12  ARG  49          HH12      ARG  49 -22.845  13.682  -7.329
  392   HH21  ARG  49          HH21      ARG  49 -19.645  13.594  -5.889
  393   HH22  ARG  49          HH22      ARG  49 -21.066  14.567  -6.184
  394    H    TYR  50           H        TYR  50 -23.788   6.493  -4.548
  395    HA   TYR  50           HA       TYR  50 -25.485   8.441  -3.108
  396    HB2  TYR  50           HB2      TYR  50 -27.317   7.919  -4.862
  397    HB3  TYR  50           HB3      TYR  50 -26.018   9.024  -5.339
  398    HD1  TYR  50           HD1      TYR  50 -24.251   8.376  -6.818
  399    HD2  TYR  50           HD2      TYR  50 -27.449   5.679  -5.881
  400    HE1  TYR  50           HE1      TYR  50 -23.415   6.845  -8.545
  401    HE2  TYR  50           HE2      TYR  50 -26.671   4.126  -7.629
  402    HH   TYR  50           HH       TYR  50 -23.800   4.851  -9.694
  403    H    THR  51           H        THR  51 -24.389   5.218  -3.560
  404    HA   THR  51           HA       THR  51 -26.634   4.313  -1.829
  405    HB   THR  51           HB       THR  51 -26.323   2.046  -2.623
  406   HG21  THR  51          HG21      THR  51 -26.457   3.888  -5.033
  407   HG22  THR  51          HG22      THR  51 -27.129   2.250  -4.909
  408   HG23  THR  51          HG23      THR  51 -27.838   3.569  -3.945
  409    H    LYS  52           H        LYS  52 -23.220   4.575  -2.446
  410    HA   LYS  52           HA       LYS  52 -21.369   4.180  -1.308
  411    HB2  LYS  52           HB2      LYS  52 -23.068   4.675   1.166
  412    HB3  LYS  52           HB3      LYS  52 -21.343   4.992   0.966
  413    HG2  LYS  52           HG2      LYS  52 -21.912   7.094   0.392
  414    HG3  LYS  52           HG3      LYS  52 -22.536   6.426  -1.133
  415    HD2  LYS  52           HD2      LYS  52 -24.762   6.129  -0.087
  416    HD3  LYS  52           HD3      LYS  52 -24.129   6.768   1.441
  417    HE2  LYS  52           HE2      LYS  52 -23.596   8.912   0.322
  418    HE3  LYS  52           HE3      LYS  52 -24.209   8.262  -1.212
  419    HZ1  LYS  52           HZ1      LYS  52 -26.365   8.052  -0.191
  420    HZ2  LYS  52           HZ2      LYS  52 -25.802   8.624   1.240
  421    HZ3  LYS  52           HZ3      LYS  52 -25.847   9.604  -0.076
  422    H    GLU  53           H        GLU  53 -23.023   1.755  -1.789
  423    HA   GLU  53           HA       GLU  53 -22.862   0.058   0.514
  424    HB2  GLU  53           HB2      GLU  53 -23.456  -1.724  -1.104
  425    HB3  GLU  53           HB3      GLU  53 -24.519  -0.314  -1.189
  426    HG2  GLU  53           HG2      GLU  53 -23.368   0.508  -3.170
  427    HG3  GLU  53           HG3      GLU  53 -22.195  -0.827  -3.084
  428    H    SER  54           H        SER  54 -20.295   1.336  -1.001
  429    HA   SER  54           HA       SER  54 -18.099   0.809  -1.238
  430    HB2  SER  54           HB2      SER  54 -18.752  -1.396   0.736
  431    HB3  SER  54           HB3      SER  54 -17.136  -0.780   0.338
  432    HG   SER  54           HG       SER  54 -18.049   0.210   2.213
  433    H    ARG  55           H        ARG  55 -16.505  -1.265  -1.522
  434    HA   ARG  55           HA       ARG  55 -17.730  -3.082  -3.529
  435    HB2  ARG  55           HB2      ARG  55 -15.405  -1.208  -4.076
  436    HB3  ARG  55           HB3      ARG  55 -15.964  -2.511  -5.151
  437    HG2  ARG  55           HG2      ARG  55 -18.182  -1.431  -5.314
  438    HG3  ARG  55           HG3      ARG  55 -17.613  -0.100  -4.283
  439    HD2  ARG  55           HD2      ARG  55 -15.861   0.437  -5.918
  440    HD3  ARG  55           HD3      ARG  55 -16.405  -0.895  -6.953
  441    HE   ARG  55           HE       ARG  55 -18.698   0.495  -6.718
  442   HH11  ARG  55          HH11      ARG  55 -15.413   1.604  -7.440
  443   HH12  ARG  55          HH12      ARG  55 -15.960   2.991  -8.346
  444   HH21  ARG  55          HH21      ARG  55 -19.380   2.306  -7.919
  445   HH22  ARG  55          HH22      ARG  55 -18.193   3.379  -8.616
  446    H    GLY  56           H        GLY  56 -15.714  -2.817  -0.841
  447    HA2  GLY  56           HA2      GLY  56 -14.806  -4.742   0.154
  448    HA3  GLY  56           HA3      GLY  56 -14.722  -5.539  -1.421
  449    H    PHE  57           H        PHE  57 -13.431  -2.287  -1.333
  450    HA   PHE  57           HA       PHE  57 -10.719  -3.106  -0.564
  451    HB2  PHE  57           HB2      PHE  57  -9.708  -2.559  -2.656
  452    HB3  PHE  57           HB3      PHE  57 -10.892  -3.831  -2.919
  453    HD1  PHE  57           HD2      PHE  57 -13.046  -3.327  -4.096
  454    HD2  PHE  57           HD1      PHE  57  -9.925  -0.402  -3.672
  455    HE1  PHE  57           HE2      PHE  57 -14.019  -2.015  -5.962
  456    HE2  PHE  57           HE1      PHE  57 -10.906   0.909  -5.549
  457    HZ   PHE  57           HZ       PHE  57 -12.981   0.129  -6.647
  458    H    ALA  58           H        ALA  58  -9.224  -1.200  -0.784
  459    HA   ALA  58           HA       ALA  58 -10.610   1.407  -0.673
  460    HB1  ALA  58           HB1      ALA  58  -8.672   0.387   1.461
  461    HB2  ALA  58           HB2      ALA  58  -9.393   2.009   1.396
  462    HB3  ALA  58           HB3      ALA  58 -10.419   0.587   1.683
  463    H    PHE  59           H        PHE  59  -9.727   2.069  -2.581
  464    HA   PHE  59           HA       PHE  59  -7.035   1.548  -3.415
  465    HB2  PHE  59           HB2      PHE  59  -8.715   2.117  -5.043
  466    HB3  PHE  59           HB3      PHE  59  -9.121   3.607  -4.191
  467    HD1  PHE  59           HD2      PHE  59  -7.667   5.551  -4.239
  468    HD2  PHE  59           HD1      PHE  59  -6.811   2.096  -6.665
  469    HE1  PHE  59           HE2      PHE  59  -6.075   6.870  -5.573
  470    HE2  PHE  59           HE1      PHE  59  -5.149   3.394  -7.925
  471    HZ   PHE  59           HZ       PHE  59  -4.730   5.769  -7.372
  472    H    VAL  60           H        VAL  60  -5.274   2.216  -2.341
  473    HA   VAL  60           HA       VAL  60  -5.352   5.008  -1.257
  474    HB   VAL  60           HB       VAL  60  -4.028   4.494   0.519
  475   HG11  VAL  60          HG11      VAL  60  -5.260   1.753   0.171
  476   HG12  VAL  60          HG12      VAL  60  -4.931   2.641   1.675
  477   HG13  VAL  60          HG13      VAL  60  -6.213   3.201   0.569
  478   HG21  VAL  60          HG21      VAL  60  -2.959   2.123  -1.014
  479   HG22  VAL  60          HG22      VAL  60  -2.095   3.578  -0.490
  480   HG23  VAL  60          HG23      VAL  60  -2.635   2.407   0.723
  481    H    ARG  61           H        ARG  61  -3.170   6.093  -1.329
  482    HA   ARG  61           HA       ARG  61  -1.573   5.157  -3.633
  483    HB2  ARG  61           HB2      ARG  61  -1.953   6.992  -4.949
  484    HB3  ARG  61           HB3      ARG  61  -3.540   6.815  -4.206
  485    HG2  ARG  61           HG2      ARG  61  -2.842   8.534  -2.483
  486    HG3  ARG  61           HG3      ARG  61  -1.361   8.788  -3.432
  487    HD2  ARG  61           HD2      ARG  61  -4.226   9.191  -4.374
  488    HD3  ARG  61           HD3      ARG  61  -3.030  10.456  -4.081
  489    HE   ARG  61           HE       ARG  61  -1.674   9.355  -5.937
  490   HH11  ARG  61          HH11      ARG  61  -5.201   9.207  -5.828
  491   HH12  ARG  61          HH12      ARG  61  -5.349   8.903  -7.546
  492   HH21  ARG  61          HH21      ARG  61  -1.904   8.974  -8.168
  493   HH22  ARG  61          HH22      ARG  61  -3.507   8.775  -8.851
  494    H    PHE  62           H        PHE  62   0.540   5.236  -3.180
  495    HA   PHE  62           HA       PHE  62   1.559   6.907  -0.923
  496    HB2  PHE  62           HB2      PHE  62   2.628   4.615  -2.567
  497    HB3  PHE  62           HB3      PHE  62   3.712   5.658  -1.666
  498    HD1  PHE  62           HD2      PHE  62   0.663   3.516  -1.147
  499    HD2  PHE  62           HD1      PHE  62   4.256   5.197   0.526
  500    HE1  PHE  62           HE2      PHE  62   0.396   2.095   0.865
  501    HE2  PHE  62           HE1      PHE  62   3.987   3.785   2.533
  502    HZ   PHE  62           HZ       PHE  62   2.084   2.206   2.695
  503    H    HIS  63           H        HIS  63   3.476   8.178  -1.237
  504    HA   HIS  63           HA       HIS  63   3.766   9.187  -4.025
  505    HB2  HIS  63           HB2      HIS  63   4.792  11.175  -2.454
  506    HB3  HIS  63           HB3      HIS  63   3.200  11.137  -3.180
  507    HD2  HIS  63           HD2      HIS  63   4.070   9.206   0.180
  508    HE1  HIS  63           HE1      HIS  63   1.245  12.260   1.016
  509    HE2  HIS  63           HE2      HIS  63   2.528  10.274   1.970
  510    H    ASP  64           H        ASP  64   5.483   8.103  -1.127
  511    HA   ASP  64           HA       ASP  64   8.104   8.694  -2.250
  512    HB2  ASP  64           HB2      ASP  64   6.971   7.273   0.138
  513    HB3  ASP  64           HB3      ASP  64   8.634   6.890  -0.354
  514    H    LYS  65           H        LYS  65   8.991   7.569  -3.894
  515    HA   LYS  65           HA       LYS  65   7.879   5.199  -4.986
  516    HB2  LYS  65           HB2      LYS  65   9.271   6.743  -6.270
  517    HB3  LYS  65           HB3      LYS  65  10.620   6.492  -5.170
  518    HG2  LYS  65           HG2      LYS  65  11.068   5.288  -7.186
  519    HG3  LYS  65           HG3      LYS  65  10.743   4.079  -5.947
  520    HD2  LYS  65           HD2      LYS  65   8.469   5.064  -7.665
  521    HD3  LYS  65           HD3      LYS  65   9.661   3.958  -8.376
  522    HE2  LYS  65           HE2      LYS  65   8.116   3.364  -5.835
  523    HE3  LYS  65           HE3      LYS  65   7.643   2.833  -7.460
  524    HZ1  LYS  65           HZ1      LYS  65   8.906   1.131  -6.351
  525    HZ2  LYS  65           HZ2      LYS  65   9.749   1.691  -7.645
  526    HZ3  LYS  65           HZ3      LYS  65  10.181   2.134  -6.129
  527    H    ARG  66           H        ARG  66  10.673   5.688  -2.750
  528    HA   ARG  66           HA       ARG  66  11.406   2.917  -2.767
  529    HB2  ARG  66           HB2      ARG  66  12.870   3.436  -0.968
  530    HB3  ARG  66           HB3      ARG  66  12.969   4.707  -2.194
  531    HG2  ARG  66           HG2      ARG  66  11.350   4.901   0.384
  532    HG3  ARG  66           HG3      ARG  66  13.016   5.456   0.214
  533    HD2  ARG  66           HD2      ARG  66  10.610   6.547  -1.293
  534    HD3  ARG  66           HD3      ARG  66  11.492   7.342   0.018
  535    HE   ARG  66           HE       ARG  66  13.239   6.625  -2.180
  536   HH11  ARG  66          HH11      ARG  66  10.935   9.072  -1.053
  537   HH12  ARG  66          HH12      ARG  66  11.607  10.323  -2.069
  538   HH21  ARG  66          HH21      ARG  66  14.083   8.292  -3.493
  539   HH22  ARG  66          HH22      ARG  66  13.375   9.886  -3.435
  540    H    ASP  67           H        ASP  67   8.999   4.705  -0.904
  541    HA   ASP  67           HA       ASP  67   8.762   2.466   1.012
  542    HB2  ASP  67           HB2      ASP  67   7.255   5.091   0.771
  543    HB3  ASP  67           HB3      ASP  67   7.067   3.913   2.081
  544    H    ALA  68           H        ALA  68   7.500   3.417  -2.046
  545    HA   ALA  68           HA       ALA  68   4.868   2.208  -1.765
  546    HB1  ALA  68           HB1      ALA  68   6.621   3.289  -3.999
  547    HB2  ALA  68           HB2      ALA  68   5.080   2.521  -4.342
  548    HB3  ALA  68           HB3      ALA  68   5.123   3.996  -3.333
  549    H    GLU  69           H        GLU  69   8.078   1.375  -3.167
  550    HA   GLU  69           HA       GLU  69   7.167  -1.272  -3.977
  551    HB2  GLU  69           HB2      GLU  69   9.557  -1.633  -4.523
  552    HB3  GLU  69           HB3      GLU  69   8.906  -0.161  -5.262
  553    HG2  GLU  69           HG2      GLU  69   9.939   1.216  -3.538
  554    HG3  GLU  69           HG3      GLU  69  10.516  -0.218  -2.680
  555    H    ASP  70           H        ASP  70   8.567   0.145  -1.026
  556    HA   ASP  70           HA       ASP  70   9.438  -2.422   0.001
  557    HB2  ASP  70           HB2      ASP  70  10.348  -0.231   0.743
  558    HB3  ASP  70           HB3      ASP  70   8.776   0.170   1.452
  559    H    ALA  71           H        ALA  71   6.496  -0.351   0.527
  560    HA   ALA  71           HA       ALA  71   5.300  -2.131   2.405
  561    HB1  ALA  71           HB1      ALA  71   4.627   0.236   2.075
  562    HB2  ALA  71           HB2      ALA  71   4.025  -0.172   0.451
  563    HB3  ALA  71           HB3      ALA  71   3.244  -0.870   1.894
  564    H    MET  72           H        MET  72   5.361  -2.048  -1.135
  565    HA   MET  72           HA       MET  72   3.340  -4.089  -1.531
  566    HB2  MET  72           HB2      MET  72   3.789  -2.571  -3.293
  567    HB3  MET  72           HB3      MET  72   5.550  -2.796  -3.129
  568    HG2  MET  72           HG2      MET  72   5.482  -4.917  -4.146
  569    HG3  MET  72           HG3      MET  72   3.720  -5.031  -4.006
  570    HE1  MET  72           HE1      MET  72   6.528  -2.625  -5.490
  571    HE2  MET  72           HE2      MET  72   5.581  -1.771  -6.733
  572    HE3  MET  72           HE3      MET  72   5.190  -1.552  -5.023
  573    H    ASP  73           H        ASP  73   6.940  -4.054  -1.302
  574    HA   ASP  73           HA       ASP  73   7.033  -6.903  -1.835
  575    HB2  ASP  73           HB2      ASP  73   8.775  -5.282  -2.601
  576    HB3  ASP  73           HB3      ASP  73   9.222  -4.986  -0.915
  577    H    ALA  74           H        ALA  74   5.963  -5.324   0.850
  578    HA   ALA  74           HA       ALA  74   7.174  -7.321   2.701
  579    HB1  ALA  74           HB1      ALA  74   6.519  -4.409   3.177
  580    HB2  ALA  74           HB2      ALA  74   7.185  -5.529   4.404
  581    HB3  ALA  74           HB3      ALA  74   8.164  -5.070   2.985
  582    H    MET  75           H        MET  75   4.261  -6.115   1.352
  583    HA   MET  75           HA       MET  75   2.827  -7.507   3.554
  584    HB2  MET  75           HB2      MET  75   2.843  -4.838   3.574
  585    HB3  MET  75           HB3      MET  75   1.549  -5.081   2.369
  586    HG2  MET  75           HG2      MET  75   0.554  -6.765   4.019
  587    HG3  MET  75           HG3      MET  75   1.702  -6.145   5.208
  588    HE1  MET  75           HE1      MET  75   1.782  -3.067   4.329
  589    HE2  MET  75           HE2      MET  75   0.555  -2.322   5.366
  590    HE3  MET  75           HE3      MET  75   1.674  -3.531   6.047
  591    H    ASP  76           H        ASP  76   2.889  -6.620   0.056
  592    HA   ASP  76           HA       ASP  76   0.255  -7.530  -0.468
  593    HB2  ASP  76           HB2      ASP  76   1.510  -6.264  -2.108
  594    HB3  ASP  76           HB3      ASP  76   2.793  -7.485  -2.150
  595    H    GLY  77           H        GLY  77  -0.644  -9.472  -0.702
  596    HA2  GLY  77           HA2      GLY  77  -0.863 -11.745  -1.048
  597    HA3  GLY  77           HA3      GLY  77   0.873 -11.844  -1.387
  598    H    ALA  78           H        ALA  78   0.309 -10.308   1.623
  599    HA   ALA  78           HA       ALA  78   1.359 -12.649   3.018
  600    HB1  ALA  78           HB1      ALA  78   0.571  -9.872   4.031
  601    HB2  ALA  78           HB2      ALA  78   1.519 -11.069   4.932
  602    HB3  ALA  78           HB3      ALA  78   2.195 -10.331   3.467
  603    H    VAL  79           H        VAL  79  -1.218 -13.022   1.920
  604    HA   VAL  79           HA       VAL  79  -3.298 -12.506   3.813
  605    HB   VAL  79           HB       VAL  79  -3.268 -14.550   1.560
  606   HG11  VAL  79          HG11      VAL  79  -5.621 -13.236   2.815
  607   HG12  VAL  79          HG12      VAL  79  -5.575 -14.194   1.300
  608   HG13  VAL  79          HG13      VAL  79  -5.156 -14.963   2.820
  609   HG21  VAL  79          HG21      VAL  79  -2.545 -12.460   0.591
  610   HG22  VAL  79          HG22      VAL  79  -4.258 -12.668   0.186
  611   HG23  VAL  79          HG23      VAL  79  -3.767 -11.545   1.486
  612    H    LEU  80           H        LEU  80  -4.734 -14.194   4.669
  613    HA   LEU  80           HA       LEU  80  -3.548 -16.753   5.384
  614    HB2  LEU  80           HB2      LEU  80  -3.760 -16.177   7.901
  615    HB3  LEU  80           HB3      LEU  80  -2.329 -15.673   7.012
  616    HG   LEU  80           HG       LEU  80  -3.089 -13.391   6.854
  617   HD11  LEU  80          HD11      LEU  80  -5.482 -13.675   6.563
  618   HD12  LEU  80          HD12      LEU  80  -5.643 -14.343   8.212
  619   HD13  LEU  80          HD13      LEU  80  -5.175 -12.642   7.967
  620   HD21  LEU  80          HD21      LEU  80  -1.962 -14.105   8.924
  621   HD22  LEU  80          HD22      LEU  80  -3.137 -12.812   9.238
  622   HD23  LEU  80          HD23      LEU  80  -3.539 -14.498   9.650
  623    H    ASP  81           H        ASP  81  -6.230 -15.177   4.446
  624    HA   ASP  81           HA       ASP  81  -7.909 -17.230   5.708
  625    HB2  ASP  81           HB2      ASP  81  -7.890 -15.228   7.235
  626    HB3  ASP  81           HB3      ASP  81  -8.621 -14.281   5.931
  627    H    GLY  82           H        GLY  82  -6.988 -15.752   2.927
  628    HA2  GLY  82           HA2      GLY  82  -8.276 -16.814   1.006
  629    HA3  GLY  82           HA3      GLY  82  -9.697 -15.993   1.678
  630    H    ARG  83           H        ARG  83  -7.799 -13.698   2.470
  631    HA   ARG  83           HA       ARG  83  -6.590 -12.516   0.220
  632    HB2  ARG  83           HB2      ARG  83  -8.120 -10.720  -0.257
  633    HB3  ARG  83           HB3      ARG  83  -8.928 -12.243  -0.631
  634    HG2  ARG  83           HG2      ARG  83 -10.386 -12.032   1.244
  635    HG3  ARG  83           HG3      ARG  83  -9.284 -10.888   2.063
  636    HD2  ARG  83           HD2      ARG  83 -11.118  -9.650   1.249
  637    HD3  ARG  83           HD3      ARG  83  -9.613  -9.230   0.399
  638    HE   ARG  83           HE       ARG  83 -10.937 -11.205  -1.138
  639   HH11  ARG  83          HH11      ARG  83 -11.483  -7.871  -0.090
  640   HH12  ARG  83          HH12      ARG  83 -12.385  -7.442  -1.520
  641   HH21  ARG  83          HH21      ARG  83 -12.135 -10.624  -2.994
  642   HH22  ARG  83          HH22      ARG  83 -12.770  -9.006  -3.164
  643    H    GLU  84           H        GLU  84  -5.330 -10.812   1.056
  644    HA   GLU  84           HA       GLU  84  -6.407  -9.546   3.488
  645    HB2  GLU  84           HB2      GLU  84  -3.577 -10.602   3.305
  646    HB3  GLU  84           HB3      GLU  84  -4.091  -9.378   4.454
  647    HG2  GLU  84           HG2      GLU  84  -5.228 -12.185   4.312
  648    HG3  GLU  84           HG3      GLU  84  -4.079 -11.581   5.486
  649    H    LEU  85           H        LEU  85  -3.814  -9.521   0.950
  650    HA   LEU  85           HA       LEU  85  -4.258  -6.599   0.610
  651    HB2  LEU  85           HB2      LEU  85  -1.568  -8.043   0.889
  652    HB3  LEU  85           HB3      LEU  85  -1.750  -6.422   0.257
  653    HG   LEU  85           HG       LEU  85  -0.944  -6.168   2.398
  654   HD11  LEU  85          HD11      LEU  85  -2.690  -4.883   3.530
  655   HD12  LEU  85          HD12      LEU  85  -2.732  -4.608   1.774
  656   HD13  LEU  85          HD13      LEU  85  -3.943  -5.662   2.541
  657   HD21  LEU  85          HD21      LEU  85  -3.198  -7.807   3.565
  658   HD22  LEU  85          HD22      LEU  85  -1.592  -8.481   3.157
  659   HD23  LEU  85          HD23      LEU  85  -1.751  -7.192   4.380
  660    H    ARG  86           H        ARG  86  -3.609  -5.744  -1.251
  661    HA   ARG  86           HA       ARG  86  -2.321  -7.278  -3.373
  662    HB2  ARG  86           HB2      ARG  86  -5.151  -6.306  -3.395
  663    HB3  ARG  86           HB3      ARG  86  -4.231  -6.076  -4.884
  664    HG2  ARG  86           HG2      ARG  86  -4.732  -8.694  -3.399
  665    HG3  ARG  86           HG3      ARG  86  -5.489  -8.194  -4.922
  666    HD2  ARG  86           HD2      ARG  86  -2.516  -8.760  -4.520
  667    HD3  ARG  86           HD3      ARG  86  -3.672  -9.829  -5.299
  668    HE   ARG  86           HE       ARG  86  -4.027  -8.057  -7.020
  669   HH11  ARG  86          HH11      ARG  86  -0.991  -7.983  -5.144
  670   HH12  ARG  86          HH12      ARG  86  -0.123  -7.182  -6.421
  671   HH21  ARG  86          HH21      ARG  86  -2.835  -7.014  -8.625
  672   HH22  ARG  86          HH22      ARG  86  -1.151  -6.627  -8.370
  673    H    VAL  87           H        VAL  87  -0.655  -5.933  -3.767
  674    HA   VAL  87           HA       VAL  87  -1.186  -2.996  -3.831
  675    HB   VAL  87           HB       VAL  87   1.224  -4.292  -2.527
  676   HG11  VAL  87          HG11      VAL  87   0.192  -1.437  -2.474
  677   HG12  VAL  87          HG12      VAL  87   1.634  -2.055  -1.621
  678   HG13  VAL  87          HG13      VAL  87   1.591  -2.030  -3.391
  679   HG21  VAL  87          HG21      VAL  87   0.246  -3.556  -0.353
  680   HG22  VAL  87          HG22      VAL  87  -1.285  -3.216  -1.207
  681   HG23  VAL  87          HG23      VAL  87  -0.643  -4.880  -1.128
  682    H    GLN  88           H        GLN  88  -0.429  -2.120  -5.642
  683    HA   GLN  88           HA       GLN  88   2.095  -2.825  -6.832
  684    HB2  GLN  88           HB2      GLN  88   0.308  -4.663  -7.526
  685    HB3  GLN  88           HB3      GLN  88  -0.294  -3.375  -8.598
  686    HG2  GLN  88           HG2      GLN  88   1.897  -3.237  -9.693
  687    HG3  GLN  88           HG3      GLN  88   2.576  -4.411  -8.553
  688   HE21  GLN  88          HE22      GLN  88   2.651  -4.798 -11.364
  689   HE22  GLN  88          HE21      GLN  88   1.626  -6.171 -11.747
  690    H    MET  89           H        MET  89   2.363  -1.609  -8.888
  691    HA   MET  89           HA       MET  89   1.853   1.124  -8.278
  692    HB2  MET  89           HB2      MET  89   2.968  -0.278 -10.729
  693    HB3  MET  89           HB3      MET  89   3.046   1.484 -10.454
  694    HG2  MET  89           HG2      MET  89   4.011  -0.508  -8.369
  695    HG3  MET  89           HG3      MET  89   5.063   0.000  -9.672
  696    HE1  MET  89           HE1      MET  89   6.619   0.554  -7.495
  697    HE2  MET  89           HE2      MET  89   6.219   1.819  -6.301
  698    HE3  MET  89           HE3      MET  89   5.286   0.307  -6.342
  699    H    ALA  90           H        ALA  90   0.511   2.634  -9.190
  700    HA   ALA  90           HA       ALA  90  -2.047   1.764 -10.088
  701    HB1  ALA  90           HB1      ALA  90  -2.460   4.204 -10.387
  702    HB2  ALA  90           HB2      ALA  90  -1.727   3.814  -8.825
  703    HB3  ALA  90           HB3      ALA  90  -0.723   4.504 -10.119
  704    H    ARG  91           H        ARG  91  -3.114   2.647 -12.082
  705    HA   ARG  91           HA       ARG  91  -1.334   2.779 -14.458
  706    HB2  ARG  91           HB2      ARG  91  -2.080   0.419 -14.033
  707    HB3  ARG  91           HB3      ARG  91  -3.758   0.945 -14.212
  708    HG2  ARG  91           HG2      ARG  91  -3.296   1.633 -16.557
  709    HG3  ARG  91           HG3      ARG  91  -1.598   1.159 -16.361
  710    HD2  ARG  91           HD2      ARG  91  -3.996  -0.696 -16.086
  711    HD3  ARG  91           HD3      ARG  91  -2.948  -0.575 -17.509
  712    HE   ARG  91           HE       ARG  91  -1.222  -1.100 -15.379
  713   HH11  ARG  91          HH11      ARG  91  -3.989  -2.700 -16.894
  714   HH12  ARG  91          HH12      ARG  91  -3.437  -4.304 -16.477
  715   HH21  ARG  91          HH21      ARG  91  -0.529  -3.204 -14.849
  716   HH22  ARG  91          HH22      ARG  91  -1.481  -4.589 -15.328
  717    H    TYR  92           H        TYR  92  -3.950   3.987 -12.675
  718    HA   TYR  92           HA       TYR  92  -4.686   5.706 -14.960
  719    HB2  TYR  92           HB2      TYR  92  -6.869   4.656 -13.179
  720    HB3  TYR  92           HB3      TYR  92  -6.993   5.417 -14.754
  721    HD1  TYR  92           HD2      TYR  92  -6.134   4.065 -16.805
  722    HD2  TYR  92           HD1      TYR  92  -6.841   2.340 -12.928
  723    HE1  TYR  92           HE2      TYR  92  -6.254   1.808 -17.830
  724    HE2  TYR  92           HE1      TYR  92  -6.974   0.086 -13.944
  725    HH   TYR  92           HH       TYR  92  -6.866  -1.143 -15.877
  726    H    GLY  93           H        GLY  93  -6.260   7.535 -14.010
  727    HA2  GLY  93           HA2      GLY  93  -4.835   8.540 -11.575
  728    HA3  GLY  93           HA3      GLY  93  -5.301   9.545 -12.947
  729    H    ARG  94           H        ARG  94  -6.045  10.517 -10.656
  730    HA   ARG  94           HA       ARG  94  -8.430   9.622  -9.445
  731    HB2  ARG  94           HB2      ARG  94  -6.797  11.268  -8.534
  732    HB3  ARG  94           HB3      ARG  94  -7.351  12.468  -9.717
  733    HG2  ARG  94           HG2      ARG  94  -9.622  12.375  -8.739
  734    HG3  ARG  94           HG3      ARG  94  -9.074  11.136  -7.587
  735    HD2  ARG  94           HD2      ARG  94  -7.422  12.731  -6.659
  736    HD3  ARG  94           HD3      ARG  94  -7.988  13.972  -7.789
  737    HE   ARG  94           HE       ARG  94 -10.242  13.006  -6.361
  738   HH11  ARG  94          HH11      ARG  94  -7.276  14.826  -5.744
  739   HH12  ARG  94          HH12      ARG  94  -7.944  15.705  -4.393
  740   HH21  ARG  94          HH21      ARG  94 -11.110  14.182  -4.629
  741   HH22  ARG  94          HH22      ARG  94 -10.123  15.352  -3.773
  742    HA   PRO  95           HA       PRO  95 -11.583  10.295 -12.413
  743    HB2  PRO  95           HB2      PRO  95 -13.101  11.524 -10.112
  744    HB3  PRO  95           HB3      PRO  95 -13.663  10.326 -11.321
  745    HG2  PRO  95           HG2      PRO  95 -12.948   9.516  -8.843
  746    HG3  PRO  95           HG3      PRO  95 -12.420   8.582 -10.282
  747    HD2  PRO  95           HD2      PRO  95 -10.848  10.566  -8.644
  748    HD3  PRO  95           HD3      PRO  95 -10.313   8.999  -9.340
  749    HA   PRO  96           HA       PRO  96 -11.362  14.773 -13.293
  750    HB2  PRO  96           HB2      PRO  96 -12.409  14.691 -15.795
  751    HB3  PRO  96           HB3      PRO  96 -10.724  14.154 -15.472
  752    HG2  PRO  96           HG2      PRO  96 -13.225  12.455 -15.746
  753    HG3  PRO  96           HG3      PRO  96 -11.616  12.188 -16.497
  754    HD2  PRO  96           HD2      PRO  96 -12.443  10.929 -14.187
  755    HD3  PRO  96           HD3      PRO  96 -10.730  11.369 -14.479
  756    H    ASP  97           H        ASP  97 -13.983  12.461 -13.535
  757    HA   ASP  97           HA       ASP  97 -15.882  14.274 -12.298
  758    HB2  ASP  97           HB2      ASP  97 -16.085  14.821 -14.734
  759    HB3  ASP  97           HB3      ASP  97 -16.426  13.109 -15.067
  760    H    SER  98           H        SER  98 -17.906  12.950 -11.716
  761    HA   SER  98           HA       SER  98 -17.006  10.396 -10.768
  762    HB2  SER  98           HB2      SER  98 -19.293  10.206  -9.843
  763    HB3  SER  98           HB3      SER  98 -18.463  11.706  -9.385
  764    HG   SER  98           HG       SER  98 -20.379  11.418 -11.464
  765    H    HIS  99           H        HIS  99 -16.509   9.132 -12.535
  766    HA   HIS  99           HA       HIS  99 -16.832   7.628 -14.193
  767    HB2  HIS  99           HB2      HIS  99 -17.938   6.598 -12.215
  768    HB3  HIS  99           HB3      HIS  99 -19.487   7.216 -12.784
  769    HD2  HIS  99           HD2      HIS  99 -20.837   5.295 -13.826
  770    HE1  HIS  99           HE1      HIS  99 -17.727   3.214 -15.852
  771    HE2  HIS  99           HE2      HIS  99 -20.230   3.269 -15.375
  772    H    HIS 100           H        HIS 100 -17.774  10.414 -14.725
  773    HA   HIS 100           HA       HIS 100 -18.948  11.625 -16.246
  774    HB2  HIS 100           HB2      HIS 100 -18.577   9.113 -17.900
  775    HB3  HIS 100           HB3      HIS 100 -18.935  10.728 -18.525
  776    HD2  HIS 100           HD2      HIS 100 -16.081   8.535 -17.359
  777    HE1  HIS 100           HE1      HIS 100 -14.350  12.349 -18.097
  778    HE2  HIS 100           HE2      HIS 100 -13.855   9.901 -17.600
  779    H    SER 101           H        SER 101 -20.580  10.066 -14.360
  780    HA   SER 101           HA       SER 101 -22.813   8.828 -15.479
  781    HB2  SER 101           HB2      SER 101 -22.717  10.609 -13.016
  782    HB3  SER 101           HB3      SER 101 -23.963   9.406 -13.402
  783    HG   SER 101           HG       SER 101 -21.211   8.968 -12.869
  784    H5'    U 102           H5'        U 102 -10.727  -5.413 -11.511
  785   H5''    U 102          H5''        U 102 -12.273  -4.752 -12.081
  786    H4'    U 102           H4'        U 102 -10.252  -3.175 -10.430
  787    H3'    U 102           H3'        U 102 -11.670  -5.312  -9.406
  788    H2'    U 102           H2'        U 102 -13.759  -4.529 -10.335
  789   HO2'    U 102          HO2'        U 102 -14.003  -4.974  -8.059
  790    H1'    U 102           H1'        U 102 -12.919  -1.867  -9.147
  791    H3     U 102           H3         U 102 -16.063  -1.115 -13.270
  792    H5     U 102           H5         U 102 -17.457  -0.980  -9.306
  793    H6     U 102           H6         U 102 -15.301  -1.874  -8.593
  794   HO5'    U 102          HO5'        U 102 -11.079  -3.132 -13.170
  795    H5'    G 103           H5'        G 103  -9.649  -0.821  -6.866
  796   H5''    G 103          H5''        G 103 -11.096  -1.025  -7.877
  797    H4'    G 103           H4'        G 103 -10.042   1.197  -8.273
  798    H3'    G 103           H3'        G 103  -9.795  -0.882 -10.441
  799    H2'    G 103           H2'        G 103  -8.490   0.316 -11.681
  800   HO2'    G 103          HO2'        G 103 -10.100   1.947 -12.112
  801    H1'    G 103           H1'        G 103  -8.026   2.300  -9.517
  802    H8     G 103           H8         G 103  -5.611   2.912 -10.061
  803    H1     G 103           H1         G 103  -4.195  -2.988 -12.170
  804    H21    G 103           H21        G 103  -5.976  -4.307 -11.947
  805    H22    G 103           H22        G 103  -7.471  -3.710 -11.258
  806    H5'    G 104           H5'        G 104 -10.285   4.362 -10.402
  807   H5''    G 104          H5''        G 104 -10.068   3.004  -9.280
  808    H4'    G 104           H4'        G 104 -12.319   4.113  -8.235
  809    H3'    G 104           H3'        G 104 -10.667   6.317  -9.510
  810    H2'    G 104           H2'        G 104 -11.378   7.760  -7.741
  811   HO2'    G 104          HO2'        G 104 -13.553   6.811  -7.500
  812    H1'    G 104           H1'        G 104 -10.628   5.970  -5.881
  813    H8     G 104           H8         G 104  -9.126   8.198  -5.777
  814    H1     G 104           H1         G 104  -5.570   5.951 -10.616
  815    H21    G 104           H21        G 104  -6.621   4.210 -11.564
  816    H22    G 104           H22        G 104  -8.171   3.643 -10.973
  817    H5'    A 105           H5'        A 105 -16.153   7.931 -10.143
  818   H5''    A 105          H5''        A 105 -14.584   8.721 -10.221
  819    H4'    A 105           H4'        A 105 -15.436  10.333  -8.862
  820    H3'    A 105           H3'        A 105 -14.570   8.537  -7.027
  821    H2'    A 105           H2'        A 105 -16.344   7.135  -6.659
  822   HO2'    A 105          HO2'        A 105 -17.461   9.424  -5.440
  823    H1'    A 105           H1'        A 105 -18.639   8.802  -7.259
  824    H8     A 105           H8         A 105 -16.405   5.951  -8.115
  825    H61    A 105           H61        A 105 -21.109   3.625 -11.438
  826    H62    A 105           H62        A 105 -19.487   3.306 -10.857
  827    H2     A 105           H2         A 105 -22.216   7.696 -10.108
  828    H5'    G 106           H5'        G 106 -16.498  10.492  -3.631
  829   H5''    G 106          H5''        G 106 -17.865  11.608  -3.768
  830    H4'    G 106           H4'        G 106 -17.013  11.934  -1.618
  831    H3'    G 106           H3'        G 106 -17.131  14.120  -3.248
  832    H2'    G 106           H2'        G 106 -15.028  13.850  -4.194
  833   HO2'    G 106          HO2'        G 106 -14.566  15.572  -2.000
  834    H1'    G 106           H1'        G 106 -13.646  13.355  -1.558
  835    H8     G 106           H8         G 106 -13.859  12.830  -5.338
  836    H1     G 106           H1         G 106  -8.729  10.196  -2.511
  837    H21    G 106           H21        G 106  -8.935  10.361  -0.313
  838    H22    G 106           H22        G 106 -10.332  11.105   0.445
  839    H5'    U 107           H5'        U 107 -17.981  17.141   1.626
  840   H5''    U 107          H5''        U 107 -18.850  16.972   0.086
  841    H4'    U 107           H4'        U 107 -15.836  16.714   0.220
  842    H3'    U 107           H3'        U 107 -17.135  19.140   1.011
  843   HO3'    U 107          HO3'        U 107 -15.088  20.022   0.567
  844    H2'    U 107           H2'        U 107 -18.048  19.375  -1.108
  845   HO2'    U 107          HO2'        U 107 -16.872  21.269  -0.681
  846    H1'    U 107           H1'        U 107 -15.362  18.347  -2.112
  847    H3     U 107           H3         U 107 -19.773  18.630  -5.160
  848    H5     U 107           H5         U 107 -15.833  18.922  -6.586
  849    H6     U 107           H6         U 107 -15.053  18.594  -4.314
  Start of MODEL    3
    1    H    MET   1           H1       MET   1 -18.378  15.326   7.239
    2    HA   MET   1           HA       MET   1 -16.112  17.147   6.831
    3    HB2  MET   1           HB2      MET   1 -16.709  15.182   9.080
    4    HB3  MET   1           HB3      MET   1 -15.185  16.060   8.865
    5    HG2  MET   1           HG2      MET   1 -17.922  17.292   9.331
    6    HG3  MET   1           HG3      MET   1 -16.622  17.169  10.514
    7    HE1  MET   1           HE1      MET   1 -14.421  18.548  10.478
    8    HE2  MET   1           HE2      MET   1 -14.009  17.932   8.861
    9    HE3  MET   1           HE3      MET   1 -13.952  19.676   9.183
   10    H    SER   2           H        SER   2 -14.816  16.406   5.287
   11    HA   SER   2           HA       SER   2 -14.001  13.593   5.297
   12    HB2  SER   2           HB2      SER   2 -14.647  13.192   2.993
   13    HB3  SER   2           HB3      SER   2 -16.085  13.723   3.897
   14    HG   SER   2           HG       SER   2 -15.987  14.851   1.999
   15    H    TYR   3           H        TYR   3 -12.523  13.435   3.064
   16    HA   TYR   3           HA       TYR   3 -10.238  15.026   3.523
   17    HB2  TYR   3           HB2      TYR   3 -11.202  13.519   1.066
   18    HB3  TYR   3           HB3      TYR   3  -9.581  14.181   1.235
   19    HD1  TYR   3           HD2      TYR   3 -11.988  11.748   2.685
   20    HD2  TYR   3           HD1      TYR   3  -7.894  13.012   2.431
   21    HE1  TYR   3           HE2      TYR   3 -11.284   9.678   3.881
   22    HE2  TYR   3           HE1      TYR   3  -7.167  10.928   3.584
   23    HH   TYR   3           HH       TYR   3  -7.833   8.998   4.595
   24    H    GLY   4           H        GLY   4 -13.094  15.592   1.509
   25    HA2  GLY   4           HA2      GLY   4 -13.856  17.502   0.554
   26    HA3  GLY   4           HA3      GLY   4 -12.515  18.399   1.313
   27    H    ARG   5           H        ARG   5 -12.536  15.688  -1.033
   28    HA   ARG   5           HA       ARG   5 -11.399  15.397  -2.997
   29    HB2  ARG   5           HB2      ARG   5 -12.423  16.596  -4.798
   30    HB3  ARG   5           HB3      ARG   5 -13.608  16.108  -3.569
   31    HG2  ARG   5           HG2      ARG   5 -13.505  18.429  -2.617
   32    HG3  ARG   5           HG3      ARG   5 -12.447  18.879  -3.987
   33    HD2  ARG   5           HD2      ARG   5 -14.345  17.788  -5.414
   34    HD3  ARG   5           HD3      ARG   5 -15.336  18.023  -3.955
   35    HE   ARG   5           HE       ARG   5 -14.392  20.048  -5.837
   36   HH11  ARG   5          HH11      ARG   5 -15.528  19.544  -2.517
   37   HH12  ARG   5          HH12      ARG   5 -15.909  21.237  -2.287
   38   HH21  ARG   5          HH21      ARG   5 -14.953  22.221  -5.505
   39   HH22  ARG   5          HH22      ARG   5 -15.649  22.723  -3.982
   40    HA   PRO   6           HA       PRO   6  -8.350  18.917  -2.289
   41    HB2  PRO   6           HB2      PRO   6  -6.269  17.593  -1.105
   42    HB3  PRO   6           HB3      PRO   6  -7.695  18.172  -0.187
   43    HG2  PRO   6           HG2      PRO   6  -7.197  15.393  -1.303
   44    HG3  PRO   6           HG3      PRO   6  -7.692  15.837   0.363
   45    HD2  PRO   6           HD2      PRO   6  -9.509  15.077  -1.521
   46    HD3  PRO   6           HD3      PRO   6  -9.886  16.363  -0.341
   47    HA   PRO   7           HA       PRO   7  -6.176  17.700  -5.979
   48    HB2  PRO   7           HB2      PRO   7  -4.322  19.684  -6.161
   49    HB3  PRO   7           HB3      PRO   7  -6.077  19.994  -6.370
   50    HG2  PRO   7           HG2      PRO   7  -4.401  20.396  -3.884
   51    HG3  PRO   7           HG3      PRO   7  -5.561  21.535  -4.633
   52    HD2  PRO   7           HD2      PRO   7  -6.244  19.903  -2.536
   53    HD3  PRO   7           HD3      PRO   7  -7.408  20.326  -3.829
   54    HA   PRO   8           HA       PRO   8  -2.684  15.510  -4.085
   55    HB2  PRO   8           HB2      PRO   8  -2.410  13.554  -5.900
   56    HB3  PRO   8           HB3      PRO   8  -3.890  13.643  -4.891
   57    HG2  PRO   8           HG2      PRO   8  -3.525  14.708  -7.712
   58    HG3  PRO   8           HG3      PRO   8  -4.821  13.622  -7.095
   59    HD2  PRO   8           HD2      PRO   8  -5.098  16.357  -7.262
   60    HD3  PRO   8           HD3      PRO   8  -5.881  15.398  -5.969
   61    H    ASP   9           H        ASP   9  -0.653  14.421  -5.591
   62    HA   ASP   9           HA       ASP   9   0.378  16.605  -7.319
   63    HB2  ASP   9           HB2      ASP   9   1.195  16.832  -4.959
   64    HB3  ASP   9           HB3      ASP   9   1.907  15.219  -5.081
   65    H    VAL  10           H        VAL  10  -0.869  14.044  -7.921
   66    HA   VAL  10           HA       VAL  10   0.910  11.951  -8.479
   67    HB   VAL  10           HB       VAL  10  -0.795  11.200 -10.070
   68   HG11  VAL  10          HG11      VAL  10  -2.701  11.149  -8.498
   69   HG12  VAL  10          HG12      VAL  10  -1.144  10.788  -7.710
   70   HG13  VAL  10          HG13      VAL  10  -1.900  12.384  -7.495
   71   HG21  VAL  10          HG21      VAL  10  -1.397  13.386 -11.080
   72   HG22  VAL  10          HG22      VAL  10  -2.830  12.546 -10.457
   73   HG23  VAL  10          HG23      VAL  10  -2.129  13.901  -9.543
   74    H    GLU  11           H        GLU  11   0.837  15.044  -9.907
   75    HA   GLU  11           HA       GLU  11   1.669  14.388 -12.574
   76    HB2  GLU  11           HB2      GLU  11   2.177  16.806 -12.694
   77    HB3  GLU  11           HB3      GLU  11   0.585  16.499 -11.978
   78    HG2  GLU  11           HG2      GLU  11   1.516  16.803  -9.721
   79    HG3  GLU  11           HG3      GLU  11   3.127  17.072 -10.403
   80    H    GLY  12           H        GLY  12   3.332  13.775  -9.734
   81    HA2  GLY  12           HA2      GLY  12   5.849  13.518 -11.120
   82    HA3  GLY  12           HA3      GLY  12   5.848  14.904 -10.012
   83    H    MET  13           H        MET  13   4.073  11.839  -9.379
   84    HA   MET  13           HA       MET  13   6.206  11.023  -7.503
   85    HB2  MET  13           HB2      MET  13   4.768  10.950  -5.582
   86    HB3  MET  13           HB3      MET  13   4.688  12.571  -6.290
   87    HG2  MET  13           HG2      MET  13   2.595  11.772  -7.531
   88    HG3  MET  13           HG3      MET  13   2.648  10.340  -6.487
   89    HE1  MET  13           HE1      MET  13   0.034  11.368  -6.212
   90    HE2  MET  13           HE2      MET  13   0.734  10.323  -4.945
   91    HE3  MET  13           HE3      MET  13  -0.182  11.778  -4.491
   92    H    THR  14           H        THR  14   5.676   8.880  -6.453
   93    HA   THR  14           HA       THR  14   5.584   7.039  -8.581
   94    HB   THR  14           HB       THR  14   5.572   6.753  -5.556
   95   HG21  THR  14          HG21      THR  14   5.808   4.567  -7.668
   96   HG22  THR  14          HG22      THR  14   6.216   4.379  -5.943
   97   HG23  THR  14          HG23      THR  14   4.543   4.695  -6.424
   98    H    SER  15           H        SER  15   2.911   8.107  -6.520
   99    HA   SER  15           HA       SER  15   0.787   7.323  -6.271
  100    HB2  SER  15           HB2      SER  15   1.164   7.183  -9.287
  101    HB3  SER  15           HB3      SER  15  -0.409   7.066  -8.465
  102    HG   SER  15           HG       SER  15   1.416   9.220  -8.379
  103    H    LEU  16           H        LEU  16   2.097   5.279  -5.300
  104    HA   LEU  16           HA       LEU  16   1.515   2.752  -6.601
  105    HB2  LEU  16           HB2      LEU  16   3.018   3.219  -4.543
  106    HB3  LEU  16           HB3      LEU  16   1.493   3.289  -3.624
  107    HG   LEU  16           HG       LEU  16   1.000   0.925  -4.448
  108   HD11  LEU  16          HD11      LEU  16   3.959   1.012  -5.174
  109   HD12  LEU  16          HD12      LEU  16   2.887  -0.410  -5.202
  110   HD13  LEU  16          HD13      LEU  16   2.621   0.925  -6.342
  111   HD21  LEU  16          HD21      LEU  16   1.742   1.336  -2.186
  112   HD22  LEU  16          HD22      LEU  16   2.608  -0.086  -2.825
  113   HD23  LEU  16          HD23      LEU  16   3.428   1.485  -2.723
  114    H    LYS  17           H        LYS  17  -0.276   1.222  -5.681
  115    HA   LYS  17           HA       LYS  17  -2.496   2.690  -4.398
  116    HB2  LYS  17           HB2      LYS  17  -4.157   1.716  -5.823
  117    HB3  LYS  17           HB3      LYS  17  -3.026   2.625  -6.836
  118    HG2  LYS  17           HG2      LYS  17  -2.228   0.696  -7.871
  119    HG3  LYS  17           HG3      LYS  17  -2.459  -0.305  -6.419
  120    HD2  LYS  17           HD2      LYS  17  -4.937  -0.088  -6.749
  121    HD3  LYS  17           HD3      LYS  17  -4.611   0.626  -8.343
  122    HE2  LYS  17           HE2      LYS  17  -3.598  -1.390  -9.127
  123    HE3  LYS  17           HE3      LYS  17  -3.388  -2.013  -7.477
  124    HZ1  LYS  17           HZ1      LYS  17  -5.972  -1.668  -8.836
  125    HZ2  LYS  17           HZ2      LYS  17  -5.219  -3.101  -8.543
  126    HZ3  LYS  17           HZ3      LYS  17  -5.763  -2.177  -7.293
  127    H    VAL  18           H        VAL  18  -3.949   1.356  -3.200
  128    HA   VAL  18           HA       VAL  18  -3.032  -1.468  -2.825
  129    HB   VAL  18           HB       VAL  18  -3.823   0.401  -0.568
  130   HG11  VAL  18          HG11      VAL  18  -2.933  -2.500  -0.604
  131   HG12  VAL  18          HG12      VAL  18  -3.051  -1.491   0.856
  132   HG13  VAL  18          HG13      VAL  18  -4.507  -1.858  -0.087
  133   HG21  VAL  18          HG21      VAL  18  -1.088  -0.810  -1.183
  134   HG22  VAL  18          HG22      VAL  18  -1.514   0.899  -1.433
  135   HG23  VAL  18          HG23      VAL  18  -1.513   0.206   0.204
  136    H    ASP  19           H        ASP  19  -4.590  -2.940  -2.357
  137    HA   ASP  19           HA       ASP  19  -7.406  -2.141  -1.982
  138    HB2  ASP  19           HB2      ASP  19  -6.439  -3.897  -4.281
  139    HB3  ASP  19           HB3      ASP  19  -8.123  -3.552  -3.880
  140    H    ASN  20           H        ASN  20  -8.693  -4.415  -2.065
  141    HA   ASN  20           HA       ASN  20  -8.861  -6.646  -1.743
  142    HB2  ASN  20           HB2      ASN  20  -6.210  -6.590  -2.179
  143    HB3  ASN  20           HB3      ASN  20  -6.181  -7.049  -0.474
  144   HD21  ASN  20          HD22      ASN  20  -5.646  -9.218  -0.614
  145   HD22  ASN  20          HD21      ASN  20  -6.491 -10.377  -1.627
  146    H    LEU  21           H        LEU  21  -9.521  -4.519   0.089
  147    HA   LEU  21           HA       LEU  21  -8.884  -4.917   2.791
  148    HB2  LEU  21           HB2      LEU  21 -11.371  -3.948   1.353
  149    HB3  LEU  21           HB3      LEU  21 -11.271  -3.950   3.103
  150    HG   LEU  21           HG       LEU  21 -10.697  -1.791   1.709
  151   HD11  LEU  21          HD11      LEU  21  -9.020  -2.725   4.059
  152   HD12  LEU  21          HD12      LEU  21  -9.351  -1.036   3.586
  153   HD13  LEU  21          HD13      LEU  21 -10.672  -2.074   4.163
  154   HD21  LEU  21          HD21      LEU  21  -8.815  -2.726   0.365
  155   HD22  LEU  21          HD22      LEU  21  -8.247  -1.460   1.466
  156   HD23  LEU  21          HD23      LEU  21  -7.964  -3.164   1.866
  157    H    THR  22           H        THR  22  -9.092  -6.657   4.034
  158    HA   THR  22           HA       THR  22 -10.659  -8.908   3.252
  159    HB   THR  22           HB       THR  22  -9.604  -8.373   6.046
  160   HG21  THR  22          HG21      THR  22  -8.993 -10.839   5.787
  161   HG22  THR  22          HG22      THR  22 -10.731 -10.492   5.863
  162   HG23  THR  22          HG23      THR  22  -9.951 -10.834   4.292
  163    H    TYR  23           H        TYR  23 -12.248  -9.930   4.922
  164    HA   TYR  23           HA       TYR  23 -14.572  -8.330   5.033
  165    HB2  TYR  23           HB2      TYR  23 -15.529 -10.241   6.236
  166    HB3  TYR  23           HB3      TYR  23 -14.583 -10.757   4.838
  167    HD1  TYR  23           HD1      TYR  23 -14.688 -10.555   8.534
  168    HD2  TYR  23           HD2      TYR  23 -12.571 -12.096   5.123
  169    HE1  TYR  23           HE1      TYR  23 -13.369 -12.042  10.023
  170    HE2  TYR  23           HE2      TYR  23 -11.254 -13.581   6.600
  171    HH   TYR  23           HH       TYR  23 -11.725 -13.637  10.157
  172    H    ARG  24           H        ARG  24 -11.931  -7.787   6.944
  173    HA   ARG  24           HA       ARG  24 -13.589  -6.906   9.241
  174    HB2  ARG  24           HB2      ARG  24 -11.984  -7.822  10.788
  175    HB3  ARG  24           HB3      ARG  24 -12.409  -9.109   9.643
  176    HG2  ARG  24           HG2      ARG  24 -10.324  -8.399   8.295
  177    HG3  ARG  24           HG3      ARG  24  -9.888  -7.405   9.699
  178    HD2  ARG  24           HD2      ARG  24 -10.164  -9.545  11.087
  179    HD3  ARG  24           HD3      ARG  24 -10.208 -10.400   9.524
  180    HE   ARG  24           HE       ARG  24  -7.916  -8.870  10.698
  181   HH11  ARG  24          HH11      ARG  24  -9.107 -11.087   8.194
  182   HH12  ARG  24          HH12      ARG  24  -7.489 -11.420   7.608
  183   HH21  ARG  24          HH21      ARG  24  -5.848  -9.388   9.896
  184   HH22  ARG  24          HH22      ARG  24  -5.712 -10.505   8.543
  185    H    THR  25           H        THR  25 -12.085  -5.655   6.769
  186    HA   THR  25           HA       THR  25 -10.274  -3.850   8.316
  187    HB   THR  25           HB       THR  25 -10.114  -4.293   5.338
  188   HG21  THR  25          HG21      THR  25  -8.076  -3.626   7.517
  189   HG22  THR  25          HG22      THR  25  -7.705  -3.836   5.789
  190   HG23  THR  25          HG23      THR  25  -8.723  -2.490   6.315
  191    H    SER  26           H        SER  26  -9.997  -1.664   7.323
  192    HA   SER  26           HA       SER  26 -12.397  -0.497   6.068
  193    HB2  SER  26           HB2      SER  26 -12.794   0.984   7.997
  194    HB3  SER  26           HB3      SER  26 -12.816  -0.694   8.557
  195    HG   SER  26           HG       SER  26 -11.523   0.668   9.878
  196    HA   PRO  27           HA       PRO  27  -9.334   2.231   4.483
  197    HB2  PRO  27           HB2      PRO  27 -10.381   4.755   4.558
  198    HB3  PRO  27           HB3      PRO  27 -11.014   3.463   3.480
  199    HG2  PRO  27           HG2      PRO  27 -12.054   4.307   6.204
  200    HG3  PRO  27           HG3      PRO  27 -12.998   4.085   4.699
  201    HD2  PRO  27           HD2      PRO  27 -12.859   2.151   6.574
  202    HD3  PRO  27           HD3      PRO  27 -12.818   1.700   4.858
  203    H    ASP  28           H        ASP  28 -10.712   3.311   7.610
  204    HA   ASP  28           HA       ASP  28  -8.601   5.087   8.323
  205    HB2  ASP  28           HB2      ASP  28 -10.535   3.385   9.935
  206    HB3  ASP  28           HB3      ASP  28  -9.420   4.553  10.680
  207    H    THR  29           H        THR  29  -8.990   1.554   8.601
  208    HA   THR  29           HA       THR  29  -6.569   1.176  10.143
  209    HB   THR  29           HB       THR  29  -8.121  -0.767   8.380
  210   HG21  THR  29          HG21      THR  29  -5.957  -1.127  10.498
  211   HG22  THR  29          HG22      THR  29  -6.937  -2.458   9.818
  212   HG23  THR  29          HG23      THR  29  -5.846  -1.522   8.768
  213    H    LEU  30           H        LEU  30  -7.435   1.009   6.647
  214    HA   LEU  30           HA       LEU  30  -4.967   0.101   5.675
  215    HB2  LEU  30           HB2      LEU  30  -7.414   1.217   4.668
  216    HB3  LEU  30           HB3      LEU  30  -6.096   2.081   3.899
  217    HG   LEU  30           HG       LEU  30  -6.856   0.097   2.612
  218   HD11  LEU  30          HD11      LEU  30  -4.462   0.793   2.435
  219   HD12  LEU  30          HD12      LEU  30  -4.076  -0.302   3.773
  220   HD13  LEU  30          HD13      LEU  30  -4.673  -0.965   2.236
  221   HD21  LEU  30          HD21      LEU  30  -7.474  -1.237   4.680
  222   HD22  LEU  30          HD22      LEU  30  -6.577  -2.150   3.437
  223   HD23  LEU  30          HD23      LEU  30  -5.750  -1.586   4.901
  224    H    ARG  31           H        ARG  31  -5.781   3.205   7.030
  225    HA   ARG  31           HA       ARG  31  -3.538   4.593   5.767
  226    HB2  ARG  31           HB2      ARG  31  -5.578   5.812   6.437
  227    HB3  ARG  31           HB3      ARG  31  -5.341   5.299   8.119
  228    HG2  ARG  31           HG2      ARG  31  -4.576   7.639   7.720
  229    HG3  ARG  31           HG3      ARG  31  -3.282   6.576   8.285
  230    HD2  ARG  31           HD2      ARG  31  -2.456   6.338   5.938
  231    HD3  ARG  31           HD3      ARG  31  -3.755   7.417   5.395
  232    HE   ARG  31           HE       ARG  31  -1.686   8.272   7.390
  233   HH11  ARG  31          HH11      ARG  31  -3.388   8.846   4.328
  234   HH12  ARG  31          HH12      ARG  31  -2.598  10.383   4.077
  235   HH21  ARG  31          HH21      ARG  31  -0.696  10.210   7.023
  236   HH22  ARG  31          HH22      ARG  31  -1.085  11.183   5.616
  237    H    ARG  32           H        ARG  32  -4.288   3.552   9.178
  238    HA   ARG  32           HA       ARG  32  -1.646   4.212  10.077
  239    HB2  ARG  32           HB2      ARG  32  -2.244   2.847  12.055
  240    HB3  ARG  32           HB3      ARG  32  -3.522   4.008  11.629
  241    HG2  ARG  32           HG2      ARG  32  -4.886   2.312  10.645
  242    HG3  ARG  32           HG3      ARG  32  -3.542   1.147  10.609
  243    HD2  ARG  32           HD2      ARG  32  -5.045   0.541  12.366
  244    HD3  ARG  32           HD3      ARG  32  -3.481   1.073  13.025
  245    HE   ARG  32           HE       ARG  32  -5.280   3.300  12.919
  246   HH11  ARG  32          HH11      ARG  32  -4.767   0.308  14.722
  247   HH12  ARG  32          HH12      ARG  32  -5.536   0.909  16.177
  248   HH21  ARG  32          HH21      ARG  32  -6.250   4.078  14.844
  249   HH22  ARG  32          HH22      ARG  32  -6.363   3.037  16.242
  250    H    VAL  33           H        VAL  33  -2.842   1.494   8.256
  251    HA   VAL  33           HA       VAL  33  -0.753  -0.327   9.184
  252    HB   VAL  33           HB       VAL  33  -2.956  -0.488   7.098
  253   HG11  VAL  33          HG11      VAL  33  -2.400  -2.890   6.903
  254   HG12  VAL  33          HG12      VAL  33  -1.119  -1.848   6.266
  255   HG13  VAL  33          HG13      VAL  33  -0.923  -2.619   7.865
  256   HG21  VAL  33          HG21      VAL  33  -3.838  -2.173   8.668
  257   HG22  VAL  33          HG22      VAL  33  -2.450  -1.902   9.753
  258   HG23  VAL  33          HG23      VAL  33  -3.628  -0.601   9.473
  259    H    PHE  34           H        PHE  34  -1.330   1.814   6.386
  260    HA   PHE  34           HA       PHE  34   1.204   0.842   5.158
  261    HB2  PHE  34           HB2      PHE  34  -1.325   2.072   4.097
  262    HB3  PHE  34           HB3      PHE  34   0.156   2.252   3.194
  263    HD1  PHE  34           HD2      PHE  34  -2.234  -0.221   4.576
  264    HD2  PHE  34           HD1      PHE  34   1.147   0.374   1.995
  265    HE1  PHE  34           HE2      PHE  34  -2.547  -2.503   3.629
  266    HE2  PHE  34           HE1      PHE  34   0.836  -1.899   1.054
  267    HZ   PHE  34           HZ       PHE  34  -1.010  -3.331   1.852
  268    H    GLU  35           H        GLU  35   0.053   3.393   7.100
  269    HA   GLU  35           HA       GLU  35   1.749   5.470   5.980
  270    HB2  GLU  35           HB2      GLU  35  -0.244   6.049   7.222
  271    HB3  GLU  35           HB3      GLU  35   0.317   5.124   8.636
  272    HG2  GLU  35           HG2      GLU  35   2.122   6.694   9.009
  273    HG3  GLU  35           HG3      GLU  35   1.767   7.530   7.480
  274    H    LYS  36           H        LYS  36   2.206   2.778   8.236
  275    HA   LYS  36           HA       LYS  36   4.453   3.897   9.619
  276    HB2  LYS  36           HB2      LYS  36   4.831   1.627  10.416
  277    HB3  LYS  36           HB3      LYS  36   3.107   2.045  10.506
  278    HG2  LYS  36           HG2      LYS  36   2.708   0.776   8.399
  279    HG3  LYS  36           HG3      LYS  36   4.438   0.352   8.342
  280    HD2  LYS  36           HD2      LYS  36   4.240  -0.759  10.543
  281    HD3  LYS  36           HD3      LYS  36   2.500  -0.375  10.571
  282    HE2  LYS  36           HE2      LYS  36   2.173  -1.687   8.508
  283    HE3  LYS  36           HE3      LYS  36   3.905  -2.043   8.443
  284    HZ1  LYS  36           HZ1      LYS  36   2.664  -3.837   9.424
  285    HZ2  LYS  36           HZ2      LYS  36   3.693  -3.198  10.537
  286    HZ3  LYS  36           HZ3      LYS  36   2.082  -2.863  10.610
  287    H    TYR  37           H        TYR  37   4.132   2.367   6.499
  288    HA   TYR  37           HA       TYR  37   6.930   1.687   6.200
  289    HB2  TYR  37           HB2      TYR  37   4.681   2.068   4.198
  290    HB3  TYR  37           HB3      TYR  37   6.305   1.499   3.784
  291    HD1  TYR  37           HD2      TYR  37   3.220   0.682   5.708
  292    HD2  TYR  37           HD1      TYR  37   6.983  -0.743   4.196
  293    HE1  TYR  37           HE2      TYR  37   2.587  -1.622   6.328
  294    HE2  TYR  37           HE1      TYR  37   6.337  -3.073   4.779
  295    HH   TYR  37           HH       TYR  37   4.760  -4.423   5.736
  296    H    GLY  38           H        GLY  38   5.150   4.673   5.995
  297    HA2  GLY  38           HA2      GLY  38   7.371   6.309   5.969
  298    HA3  GLY  38           HA3      GLY  38   7.045   6.025   4.252
  299    H    ARG  39           H        ARG  39   4.951   6.667   3.374
  300    HA   ARG  39           HA       ARG  39   3.061   8.165   5.008
  301    HB2  ARG  39           HB2      ARG  39   3.294  10.234   3.619
  302    HB3  ARG  39           HB3      ARG  39   4.623   9.956   4.761
  303    HG2  ARG  39           HG2      ARG  39   6.062   9.140   2.958
  304    HG3  ARG  39           HG3      ARG  39   4.710   9.234   1.806
  305    HD2  ARG  39           HD2      ARG  39   6.090  11.218   1.526
  306    HD3  ARG  39           HD3      ARG  39   4.568  11.706   2.287
  307    HE   ARG  39           HE       ARG  39   5.710  12.241   4.249
  308   HH11  ARG  39          HH11      ARG  39   7.873  10.549   2.011
  309   HH12  ARG  39          HH12      ARG  39   9.304  10.901   2.944
  310   HH21  ARG  39          HH21      ARG  39   7.605  12.691   5.437
  311   HH22  ARG  39          HH22      ARG  39   9.154  12.095   4.881
  312    H    VAL  40           H        VAL  40   1.276   8.993   3.746
  313    HA   VAL  40           HA       VAL  40   0.765   7.434   1.261
  314    HB   VAL  40           HB       VAL  40  -1.034   7.615   3.723
  315   HG11  VAL  40          HG11      VAL  40  -2.354   7.581   1.687
  316   HG12  VAL  40          HG12      VAL  40  -1.437   6.177   1.079
  317   HG13  VAL  40          HG13      VAL  40  -2.467   6.016   2.513
  318   HG21  VAL  40          HG21      VAL  40   0.465   5.251   2.498
  319   HG22  VAL  40          HG22      VAL  40   0.833   6.021   4.059
  320   HG23  VAL  40          HG23      VAL  40  -0.695   5.149   3.834
  321    H    GLY  41           H        GLY  41  -0.501   8.552  -0.209
  322    HA2  GLY  41           HA2      GLY  41  -0.957  11.417   0.437
  323    HA3  GLY  41           HA3      GLY  41  -0.898  10.684  -1.177
  324    H    ASP  42           H        ASP  42  -2.699   8.396  -0.116
  325    HA   ASP  42           HA       ASP  42  -5.150   9.753   0.628
  326    HB2  ASP  42           HB2      ASP  42  -4.936  10.189  -1.867
  327    HB3  ASP  42           HB3      ASP  42  -4.947   8.434  -2.122
  328    H    VAL  43           H        VAL  43  -6.834   8.348   1.121
  329    HA   VAL  43           HA       VAL  43  -6.635   5.444   0.705
  330    HB   VAL  43           HB       VAL  43  -7.096   6.663   3.476
  331   HG11  VAL  43          HG11      VAL  43  -7.109   3.803   2.459
  332   HG12  VAL  43          HG12      VAL  43  -7.096   4.280   4.166
  333   HG13  VAL  43          HG13      VAL  43  -8.478   4.725   3.126
  334   HG21  VAL  43          HG21      VAL  43  -4.791   4.909   2.535
  335   HG22  VAL  43          HG22      VAL  43  -4.682   6.659   2.895
  336   HG23  VAL  43          HG23      VAL  43  -5.074   5.503   4.182
  337    H    TYR  44           H        TYR  44  -8.746   4.803   0.033
  338    HA   TYR  44           HA       TYR  44 -10.969   6.636   0.643
  339    HB2  TYR  44           HB2      TYR  44  -9.344   7.600  -1.059
  340    HB3  TYR  44           HB3      TYR  44  -9.758   6.273  -2.128
  341    HD1  TYR  44           HD2      TYR  44 -12.507   7.718  -0.147
  342    HD2  TYR  44           HD1      TYR  44 -10.172   7.990  -3.739
  343    HE1  TYR  44           HE2      TYR  44 -14.302   9.042  -1.196
  344    HE2  TYR  44           HE1      TYR  44 -11.942   9.373  -4.809
  345    HH   TYR  44           HH       TYR  44 -13.965  10.482  -4.457
  346    H    ILE  45           H        ILE  45 -13.017   5.882  -0.104
  347    HA   ILE  45           HA       ILE  45 -13.136   3.232  -1.397
  348    HB   ILE  45           HB       ILE  45 -14.610   3.902   1.191
  349   HG12  ILE  45          HG12      ILE  45 -12.178   2.212   0.539
  350   HG13  ILE  45          HG13      ILE  45 -12.301   3.547   1.705
  351   HG21  ILE  45          HG21      ILE  45 -14.415   1.272  -0.337
  352   HG22  ILE  45          HG22      ILE  45 -15.341   1.580   1.148
  353   HG23  ILE  45          HG23      ILE  45 -15.844   2.343  -0.367
  354   HD11  ILE  45          HD11      ILE  45 -13.518   0.763   1.908
  355   HD12  ILE  45          HD12      ILE  45 -12.228   1.448   2.896
  356   HD13  ILE  45          HD13      ILE  45 -13.882   2.098   3.049
  357    HA   PRO  46           HA       PRO  46 -15.887   6.512  -3.061
  358    HB2  PRO  46           HB2      PRO  46 -14.770   6.782  -5.477
  359    HB3  PRO  46           HB3      PRO  46 -13.844   7.246  -4.003
  360    HG2  PRO  46           HG2      PRO  46 -13.711   4.605  -5.516
  361    HG3  PRO  46           HG3      PRO  46 -12.343   5.697  -5.055
  362    HD2  PRO  46           HD2      PRO  46 -13.133   3.551  -3.554
  363    HD3  PRO  46           HD3      PRO  46 -12.429   5.044  -2.858
  364    H    ARG  47           H        ARG  47 -15.729   3.163  -4.091
  365    HA   ARG  47           HA       ARG  47 -16.677   3.294  -6.696
  366    HB2  ARG  47           HB2      ARG  47 -15.943   1.233  -5.712
  367    HB3  ARG  47           HB3      ARG  47 -17.267   1.249  -4.543
  368    HG2  ARG  47           HG2      ARG  47 -17.611  -0.334  -6.455
  369    HG3  ARG  47           HG3      ARG  47 -18.904   0.843  -6.240
  370    HD2  ARG  47           HD2      ARG  47 -18.450   0.591  -8.591
  371    HD3  ARG  47           HD3      ARG  47 -17.996   2.217  -8.100
  372    HE   ARG  47           HE       ARG  47 -15.636   0.745  -7.911
  373   HH11  ARG  47          HH11      ARG  47 -18.026   1.477 -10.413
  374   HH12  ARG  47          HH12      ARG  47 -16.863   1.395 -11.715
  375   HH21  ARG  47          HH21      ARG  47 -14.146   0.662  -9.630
  376   HH22  ARG  47          HH22      ARG  47 -14.668   0.914 -11.278
  377    H    ASP  48           H        ASP  48 -18.655   3.579  -3.714
  378    HA   ASP  48           HA       ASP  48 -20.535   5.120  -5.366
  379    HB2  ASP  48           HB2      ASP  48 -21.339   2.852  -3.533
  380    HB3  ASP  48           HB3      ASP  48 -22.454   4.111  -4.155
  381    H    ARG  49           H        ARG  49 -20.107   7.002  -4.495
  382    HA   ARG  49           HA       ARG  49 -18.804   7.371  -2.046
  383    HB2  ARG  49           HB2      ARG  49 -18.716   9.636  -2.733
  384    HB3  ARG  49           HB3      ARG  49 -18.751   8.665  -4.223
  385    HG2  ARG  49           HG2      ARG  49 -21.196   9.101  -4.408
  386    HG3  ARG  49           HG3      ARG  49 -21.033  10.215  -3.004
  387    HD2  ARG  49           HD2      ARG  49 -19.208  11.368  -4.346
  388    HD3  ARG  49           HD3      ARG  49 -19.775  10.450  -5.749
  389    HE   ARG  49           HE       ARG  49 -22.094  11.498  -5.000
  390   HH11  ARG  49          HH11      ARG  49 -18.933  13.063  -5.186
  391   HH12  ARG  49          HH12      ARG  49 -19.597  14.676  -5.283
  392   HH21  ARG  49          HH21      ARG  49 -22.946  13.596  -5.217
  393   HH22  ARG  49          HH22      ARG  49 -21.875  14.972  -5.357
  394    H    TYR  50           H        TYR  50 -21.853   6.397  -2.076
  395    HA   TYR  50           HA       TYR  50 -22.488   7.687   0.493
  396    HB2  TYR  50           HB2      TYR  50 -24.858   8.146  -0.402
  397    HB3  TYR  50           HB3      TYR  50 -23.560   9.222  -0.958
  398    HD1  TYR  50           HD1      TYR  50 -25.771   6.409  -1.961
  399    HD2  TYR  50           HD2      TYR  50 -22.880   9.322  -3.192
  400    HE1  TYR  50           HE1      TYR  50 -26.115   5.731  -4.314
  401    HE2  TYR  50           HE2      TYR  50 -23.122   8.619  -5.543
  402    HH   TYR  50           HH       TYR  50 -25.488   6.069  -6.511
  403    H    THR  51           H        THR  51 -22.180   4.884  -1.232
  404    HA   THR  51           HA       THR  51 -24.138   3.572   0.601
  405    HB   THR  51           HB       THR  51 -24.776   1.945  -0.998
  406   HG21  THR  51          HG21      THR  51 -24.539   4.480  -2.641
  407   HG22  THR  51          HG22      THR  51 -25.756   3.194  -2.817
  408   HG23  THR  51          HG23      THR  51 -25.796   4.243  -1.378
  409    H    LYS  52           H        LYS  52 -21.022   3.532  -0.998
  410    HA   LYS  52           HA       LYS  52 -19.179   2.259  -0.836
  411    HB2  LYS  52           HB2      LYS  52 -19.959   2.032   2.087
  412    HB3  LYS  52           HB3      LYS  52 -18.326   2.036   1.400
  413    HG2  LYS  52           HG2      LYS  52 -18.248   4.267   1.646
  414    HG3  LYS  52           HG3      LYS  52 -19.564   4.429   0.478
  415    HD2  LYS  52           HD2      LYS  52 -20.167   5.574   2.539
  416    HD3  LYS  52           HD3      LYS  52 -21.229   4.183   2.285
  417    HE2  LYS  52           HE2      LYS  52 -20.580   4.275   4.618
  418    HE3  LYS  52           HE3      LYS  52 -19.833   2.856   3.869
  419    HZ1  LYS  52           HZ1      LYS  52 -18.285   4.069   5.243
  420    HZ2  LYS  52           HZ2      LYS  52 -17.798   4.116   3.673
  421    HZ3  LYS  52           HZ3      LYS  52 -18.503   5.440   4.363
  422    H    GLU  53           H        GLU  53 -21.704   0.693  -1.363
  423    HA   GLU  53           HA       GLU  53 -21.569  -1.772   0.078
  424    HB2  GLU  53           HB2      GLU  53 -23.178  -2.560  -1.593
  425    HB3  GLU  53           HB3      GLU  53 -23.609  -0.957  -0.971
  426    HG2  GLU  53           HG2      GLU  53 -22.663   0.107  -2.965
  427    HG3  GLU  53           HG3      GLU  53 -22.181  -1.472  -3.612
  428    H    SER  54           H        SER  54 -19.133  -0.716  -1.669
  429    HA   SER  54           HA       SER  54 -18.432  -3.426  -2.706
  430    HB2  SER  54           HB2      SER  54 -17.887  -0.768  -4.070
  431    HB3  SER  54           HB3      SER  54 -17.311  -2.359  -4.625
  432    HG   SER  54           HG       SER  54 -19.500  -2.982  -4.823
  433    H    ARG  55           H        ARG  55 -17.905  -1.890  -0.209
  434    HA   ARG  55           HA       ARG  55 -15.288  -0.894  -0.054
  435    HB2  ARG  55           HB2      ARG  55 -15.553  -1.293   2.393
  436    HB3  ARG  55           HB3      ARG  55 -16.869  -0.415   1.628
  437    HG2  ARG  55           HG2      ARG  55 -17.801  -1.966   3.213
  438    HG3  ARG  55           HG3      ARG  55 -18.255  -2.472   1.584
  439    HD2  ARG  55           HD2      ARG  55 -17.655  -4.389   2.956
  440    HD3  ARG  55           HD3      ARG  55 -16.521  -4.217   1.622
  441    HE   ARG  55           HE       ARG  55 -15.678  -2.907   4.117
  442   HH11  ARG  55          HH11      ARG  55 -15.629  -5.921   2.253
  443   HH12  ARG  55          HH12      ARG  55 -14.176  -6.505   3.029
  444   HH21  ARG  55          HH21      ARG  55 -13.783  -3.732   5.126
  445   HH22  ARG  55          HH22      ARG  55 -13.152  -5.282   4.626
  446    H    GLY  56           H        GLY  56 -15.764  -3.885  -1.177
  447    HA2  GLY  56           HA2      GLY  56 -14.033  -5.554   0.324
  448    HA3  GLY  56           HA3      GLY  56 -14.397  -5.700  -1.412
  449    H    PHE  57           H        PHE  57 -13.277  -2.632  -1.162
  450    HA   PHE  57           HA       PHE  57 -10.408  -3.117  -0.820
  451    HB2  PHE  57           HB2      PHE  57  -9.807  -2.306  -2.992
  452    HB3  PHE  57           HB3      PHE  57 -10.863  -3.702  -3.208
  453    HD1  PHE  57           HD1      PHE  57 -13.400  -3.206  -3.571
  454    HD2  PHE  57           HD2      PHE  57 -10.285  -0.287  -4.097
  455    HE1  PHE  57           HE1      PHE  57 -14.904  -1.878  -5.001
  456    HE2  PHE  57           HE2      PHE  57 -11.775   1.032  -5.574
  457    HZ   PHE  57           HZ       PHE  57 -14.090   0.247  -6.027
  458    H    ALA  58           H        ALA  58  -9.241  -1.003  -1.032
  459    HA   ALA  58           HA       ALA  58 -10.866   1.426  -0.843
  460    HB1  ALA  58           HB1      ALA  58  -8.960   0.577   1.402
  461    HB2  ALA  58           HB2      ALA  58  -9.841   2.107   1.306
  462    HB3  ALA  58           HB3      ALA  58 -10.731   0.583   1.533
  463    H    PHE  59           H        PHE  59  -9.921   2.230  -2.648
  464    HA   PHE  59           HA       PHE  59  -7.196   1.786  -3.393
  465    HB2  PHE  59           HB2      PHE  59  -8.849   2.379  -5.055
  466    HB3  PHE  59           HB3      PHE  59  -9.239   3.878  -4.204
  467    HD1  PHE  59           HD2      PHE  59  -7.746   5.800  -4.251
  468    HD2  PHE  59           HD1      PHE  59  -6.850   2.250  -6.531
  469    HE1  PHE  59           HE2      PHE  59  -6.081   7.054  -5.557
  470    HE2  PHE  59           HE1      PHE  59  -5.124   3.504  -7.778
  471    HZ   PHE  59           HZ       PHE  59  -4.715   5.891  -7.286
  472    H    VAL  60           H        VAL  60  -5.565   2.340  -2.104
  473    HA   VAL  60           HA       VAL  60  -5.539   5.138  -1.053
  474    HB   VAL  60           HB       VAL  60  -4.111   4.486   0.648
  475   HG11  VAL  60          HG11      VAL  60  -5.403   1.786   0.241
  476   HG12  VAL  60          HG12      VAL  60  -5.060   2.657   1.752
  477   HG13  VAL  60          HG13      VAL  60  -6.361   3.221   0.675
  478   HG21  VAL  60          HG21      VAL  60  -2.274   3.602  -0.493
  479   HG22  VAL  60          HG22      VAL  60  -2.806   2.320   0.607
  480   HG23  VAL  60          HG23      VAL  60  -3.218   2.241  -1.134
  481    H    ARG  61           H        ARG  61  -3.194   6.118  -1.164
  482    HA   ARG  61           HA       ARG  61  -1.732   5.005  -3.448
  483    HB2  ARG  61           HB2      ARG  61  -1.970   6.760  -4.893
  484    HB3  ARG  61           HB3      ARG  61  -3.548   6.853  -4.104
  485    HG2  ARG  61           HG2      ARG  61  -2.608   8.595  -2.546
  486    HG3  ARG  61           HG3      ARG  61  -1.092   8.551  -3.482
  487    HD2  ARG  61           HD2      ARG  61  -3.844   9.318  -4.498
  488    HD3  ARG  61           HD3      ARG  61  -2.462  10.395  -4.274
  489    HE   ARG  61           HE       ARG  61  -1.278   9.048  -6.042
  490   HH11  ARG  61          HH11      ARG  61  -4.813   9.126  -5.920
  491   HH12  ARG  61          HH12      ARG  61  -4.992   8.700  -7.607
  492   HH21  ARG  61          HH21      ARG  61  -1.558   8.517  -8.248
  493   HH22  ARG  61          HH22      ARG  61  -3.176   8.335  -8.896
  494    H    PHE  62           H        PHE  62   0.461   5.495  -3.526
  495    HA   PHE  62           HA       PHE  62   1.549   6.994  -1.165
  496    HB2  PHE  62           HB2      PHE  62   2.651   4.676  -2.791
  497    HB3  PHE  62           HB3      PHE  62   3.681   5.706  -1.833
  498    HD1  PHE  62           HD2      PHE  62   0.574   3.619  -1.381
  499    HD2  PHE  62           HD1      PHE  62   4.224   5.155   0.311
  500    HE1  PHE  62           HE2      PHE  62   0.253   2.192   0.627
  501    HE2  PHE  62           HE1      PHE  62   3.903   3.723   2.303
  502    HZ   PHE  62           HZ       PHE  62   1.935   2.235   2.459
  503    H    HIS  63           H        HIS  63   3.706   7.976  -1.593
  504    HA   HIS  63           HA       HIS  63   3.853   9.065  -4.355
  505    HB2  HIS  63           HB2      HIS  63   4.876  11.060  -2.732
  506    HB3  HIS  63           HB3      HIS  63   3.339  11.035  -3.583
  507    HD2  HIS  63           HD2      HIS  63   4.070   9.255  -0.093
  508    HE1  HIS  63           HE1      HIS  63   0.983  12.132   0.390
  509    HE2  HIS  63           HE2      HIS  63   2.344  10.307   1.538
  510    H    ASP  64           H        ASP  64   5.613   8.051  -1.455
  511    HA   ASP  64           HA       ASP  64   8.219   8.622  -2.671
  512    HB2  ASP  64           HB2      ASP  64   7.139   7.341  -0.172
  513    HB3  ASP  64           HB3      ASP  64   8.831   7.027  -0.625
  514    H    LYS  65           H        LYS  65   9.224   7.308  -4.118
  515    HA   LYS  65           HA       LYS  65   8.098   4.849  -5.013
  516    HB2  LYS  65           HB2      LYS  65   9.556   6.069  -6.474
  517    HB3  LYS  65           HB3      LYS  65  10.832   6.127  -5.262
  518    HG2  LYS  65           HG2      LYS  65  11.308   4.512  -7.090
  519    HG3  LYS  65           HG3      LYS  65  11.287   3.765  -5.495
  520    HD2  LYS  65           HD2      LYS  65  10.174   2.363  -7.197
  521    HD3  LYS  65           HD3      LYS  65   9.079   2.812  -5.894
  522    HE2  LYS  65           HE2      LYS  65   7.937   2.990  -8.020
  523    HE3  LYS  65           HE3      LYS  65   8.123   4.606  -7.328
  524    HZ1  LYS  65           HZ1      LYS  65   9.845   3.437  -9.412
  525    HZ2  LYS  65           HZ2      LYS  65   8.666   4.561  -9.656
  526    HZ3  LYS  65           HZ3      LYS  65   9.997   4.949  -8.773
  527    H    ARG  66           H        ARG  66  10.954   5.463  -2.873
  528    HA   ARG  66           HA       ARG  66  11.543   2.721  -2.514
  529    HB2  ARG  66           HB2      ARG  66  12.973   3.359  -0.740
  530    HB3  ARG  66           HB3      ARG  66  13.128   4.536  -2.045
  531    HG2  ARG  66           HG2      ARG  66  11.446   4.946   0.456
  532    HG3  ARG  66           HG3      ARG  66  13.119   5.491   0.285
  533    HD2  ARG  66           HD2      ARG  66  10.755   6.451  -1.372
  534    HD3  ARG  66           HD3      ARG  66  11.611   7.341  -0.106
  535    HE   ARG  66           HE       ARG  66  13.398   6.440  -2.197
  536   HH11  ARG  66          HH11      ARG  66  11.078   8.993  -1.330
  537   HH12  ARG  66          HH12      ARG  66  11.802  10.148  -2.412
  538   HH21  ARG  66          HH21      ARG  66  14.291   7.993  -3.602
  539   HH22  ARG  66          HH22      ARG  66  13.607   9.595  -3.686
  540    H    ASP  67           H        ASP  67   9.161   4.743  -0.827
  541    HA   ASP  67           HA       ASP  67   8.797   2.674   1.235
  542    HB2  ASP  67           HB2      ASP  67   7.306   5.265   0.671
  543    HB3  ASP  67           HB3      ASP  67   7.048   4.215   2.079
  544    H    ALA  68           H        ALA  68   7.549   3.425  -1.929
  545    HA   ALA  68           HA       ALA  68   4.977   2.125  -1.516
  546    HB1  ALA  68           HB1      ALA  68   6.542   3.096  -3.951
  547    HB2  ALA  68           HB2      ALA  68   4.904   2.446  -4.034
  548    HB3  ALA  68           HB3      ALA  68   5.202   3.957  -3.138
  549    H    GLU  69           H        GLU  69   8.145   1.384  -3.109
  550    HA   GLU  69           HA       GLU  69   7.217  -1.218  -3.952
  551    HB2  GLU  69           HB2      GLU  69   9.558  -1.635  -4.544
  552    HB3  GLU  69           HB3      GLU  69   8.995  -0.086  -5.189
  553    HG2  GLU  69           HG2      GLU  69  10.168   1.147  -3.470
  554    HG3  GLU  69           HG3      GLU  69  10.546  -0.323  -2.580
  555    H    ASP  70           H        ASP  70   8.699   0.073  -0.987
  556    HA   ASP  70           HA       ASP  70   9.507  -2.522  -0.001
  557    HB2  ASP  70           HB2      ASP  70  10.489  -0.372   0.771
  558    HB3  ASP  70           HB3      ASP  70   8.929   0.065   1.488
  559    H    ALA  71           H        ALA  71   6.609  -0.416   0.576
  560    HA   ALA  71           HA       ALA  71   5.389  -2.192   2.441
  561    HB1  ALA  71           HB1      ALA  71   4.104  -0.209   0.511
  562    HB2  ALA  71           HB2      ALA  71   3.357  -0.897   1.975
  563    HB3  ALA  71           HB3      ALA  71   4.755   0.192   2.119
  564    H    MET  72           H        MET  72   5.476  -2.102  -1.086
  565    HA   MET  72           HA       MET  72   3.411  -4.088  -1.491
  566    HB2  MET  72           HB2      MET  72   3.851  -2.544  -3.218
  567    HB3  MET  72           HB3      MET  72   5.608  -2.780  -3.095
  568    HG2  MET  72           HG2      MET  72   5.527  -4.872  -4.176
  569    HG3  MET  72           HG3      MET  72   3.767  -4.990  -4.007
  570    HE1  MET  72           HE1      MET  72   6.539  -2.527  -5.520
  571    HE2  MET  72           HE2      MET  72   5.547  -1.658  -6.713
  572    HE3  MET  72           HE3      MET  72   5.220  -1.467  -4.982
  573    H    ASP  73           H        ASP  73   6.998  -4.091  -1.265
  574    HA   ASP  73           HA       ASP  73   7.081  -6.930  -1.854
  575    HB2  ASP  73           HB2      ASP  73   8.822  -5.326  -2.609
  576    HB3  ASP  73           HB3      ASP  73   9.271  -5.032  -0.920
  577    H    ALA  74           H        ALA  74   6.026  -5.372   0.839
  578    HA   ALA  74           HA       ALA  74   7.195  -7.397   2.686
  579    HB1  ALA  74           HB1      ALA  74   6.583  -4.477   3.202
  580    HB2  ALA  74           HB2      ALA  74   7.234  -5.628   4.401
  581    HB3  ALA  74           HB3      ALA  74   8.217  -5.164   2.990
  582    H    MET  75           H        MET  75   4.317  -6.136   1.311
  583    HA   MET  75           HA       MET  75   2.846  -7.511   3.503
  584    HB2  MET  75           HB2      MET  75   2.826  -4.824   3.422
  585    HB3  MET  75           HB3      MET  75   1.522  -5.164   2.248
  586    HG2  MET  75           HG2      MET  75   0.601  -6.795   3.997
  587    HG3  MET  75           HG3      MET  75   1.746  -6.071   5.133
  588    HE1  MET  75           HE1      MET  75   1.715  -3.064   4.098
  589    HE2  MET  75           HE2      MET  75   0.495  -2.302   5.125
  590    HE3  MET  75           HE3      MET  75   1.652  -3.453   5.840
  591    H    ASP  76           H        ASP  76   2.885  -6.647  -0.025
  592    HA   ASP  76           HA       ASP  76   0.268  -7.738  -0.442
  593    HB2  ASP  76           HB2      ASP  76   0.999  -6.494  -2.243
  594    HB3  ASP  76           HB3      ASP  76   2.638  -7.157  -2.213
  595    H    GLY  77           H        GLY  77  -0.467  -9.708  -0.793
  596    HA2  GLY  77           HA2      GLY  77  -0.528 -12.008  -1.035
  597    HA3  GLY  77           HA3      GLY  77   1.203 -11.991  -1.395
  598    H    ALA  78           H        ALA  78   0.281 -10.464   1.606
  599    HA   ALA  78           HA       ALA  78   1.650 -12.622   3.062
  600    HB1  ALA  78           HB1      ALA  78   0.631  -9.889   3.985
  601    HB2  ALA  78           HB2      ALA  78   1.679 -10.976   4.924
  602    HB3  ALA  78           HB3      ALA  78   2.286 -10.239   3.427
  603    H    VAL  79           H        VAL  79  -0.885 -13.138   1.948
  604    HA   VAL  79           HA       VAL  79  -3.025 -12.701   3.799
  605    HB   VAL  79           HB       VAL  79  -2.821 -14.642   1.468
  606   HG11  VAL  79          HG11      VAL  79  -5.305 -13.374   2.551
  607   HG12  VAL  79          HG12      VAL  79  -5.104 -14.331   1.044
  608   HG13  VAL  79          HG13      VAL  79  -4.840 -15.103   2.594
  609   HG21  VAL  79          HG21      VAL  79  -2.115 -12.478   0.636
  610   HG22  VAL  79          HG22      VAL  79  -3.781 -12.760   0.089
  611   HG23  VAL  79          HG23      VAL  79  -3.459 -11.671   1.465
  612    H    LEU  80           H        LEU  80  -4.497 -14.570   4.474
  613    HA   LEU  80           HA       LEU  80  -3.139 -17.122   4.863
  614    HB2  LEU  80           HB2      LEU  80  -2.916 -17.206   7.149
  615    HB3  LEU  80           HB3      LEU  80  -2.416 -15.555   6.797
  616    HG   LEU  80           HG       LEU  80  -5.134 -16.450   7.881
  617   HD11  LEU  80          HD11      LEU  80  -4.396 -15.253   9.901
  618   HD12  LEU  80          HD12      LEU  80  -3.269 -16.566   9.489
  619   HD13  LEU  80          HD13      LEU  80  -2.839 -14.883   9.115
  620   HD21  LEU  80          HD21      LEU  80  -4.062 -13.675   7.303
  621   HD22  LEU  80          HD22      LEU  80  -5.419 -14.467   6.453
  622   HD23  LEU  80          HD23      LEU  80  -5.580 -14.041   8.167
  623    H    ASP  81           H        ASP  81  -5.946 -15.624   4.076
  624    HA   ASP  81           HA       ASP  81  -7.489 -17.993   4.952
  625    HB2  ASP  81           HB2      ASP  81  -7.790 -16.139   6.611
  626    HB3  ASP  81           HB3      ASP  81  -8.446 -15.134   5.309
  627    H    GLY  82           H        GLY  82  -6.493 -16.201   2.394
  628    HA2  GLY  82           HA2      GLY  82  -7.474 -17.272   0.291
  629    HA3  GLY  82           HA3      GLY  82  -9.023 -16.627   0.857
  630    H    ARG  83           H        ARG  83  -7.378 -14.225   1.948
  631    HA   ARG  83           HA       ARG  83  -6.191 -12.798  -0.151
  632    HB2  ARG  83           HB2      ARG  83  -7.860 -11.307  -0.941
  633    HB3  ARG  83           HB3      ARG  83  -8.564 -12.912  -1.092
  634    HG2  ARG  83           HG2      ARG  83 -10.335 -12.044  -0.052
  635    HG3  ARG  83           HG3      ARG  83  -9.370 -12.214   1.432
  636    HD2  ARG  83           HD2      ARG  83 -10.264  -9.969   1.385
  637    HD3  ARG  83           HD3      ARG  83  -8.535  -9.849   1.047
  638    HE   ARG  83           HE       ARG  83  -9.002  -9.434  -1.260
  639   HH11  ARG  83          HH11      ARG  83 -11.940  -9.581   0.718
  640   HH12  ARG  83          HH12      ARG  83 -12.903  -8.743  -0.485
  641   HH21  ARG  83          HH21      ARG  83 -10.284  -8.382  -2.776
  642   HH22  ARG  83          HH22      ARG  83 -11.972  -8.066  -2.440
  643    H    GLU  84           H        GLU  84  -5.092 -11.129   0.878
  644    HA   GLU  84           HA       GLU  84  -6.479  -9.929   3.198
  645    HB2  GLU  84           HB2      GLU  84  -3.602 -10.829   3.337
  646    HB3  GLU  84           HB3      GLU  84  -4.375  -9.681   4.430
  647    HG2  GLU  84           HG2      GLU  84  -6.222 -11.584   4.645
  648    HG3  GLU  84           HG3      GLU  84  -4.839 -12.627   4.258
  649    H    LEU  85           H        LEU  85  -3.883  -9.768   0.741
  650    HA   LEU  85           HA       LEU  85  -4.143  -6.803   0.634
  651    HB2  LEU  85           HB2      LEU  85  -1.560  -8.395   0.997
  652    HB3  LEU  85           HB3      LEU  85  -1.601  -6.791   0.289
  653    HG   LEU  85           HG       LEU  85  -0.897  -6.423   2.403
  654   HD11  LEU  85          HD11      LEU  85  -3.885  -5.873   2.533
  655   HD12  LEU  85          HD12      LEU  85  -2.611  -5.056   3.453
  656   HD13  LEU  85          HD13      LEU  85  -2.665  -4.892   1.681
  657   HD21  LEU  85          HD21      LEU  85  -1.821  -7.317   4.442
  658   HD22  LEU  85          HD22      LEU  85  -3.145  -8.104   3.555
  659   HD23  LEU  85          HD23      LEU  85  -1.466  -8.648   3.314
  660    H    ARG  86           H        ARG  86  -3.726  -5.903  -1.304
  661    HA   ARG  86           HA       ARG  86  -2.134  -7.253  -3.337
  662    HB2  ARG  86           HB2      ARG  86  -5.057  -6.505  -3.805
  663    HB3  ARG  86           HB3      ARG  86  -3.869  -6.593  -5.107
  664    HG2  ARG  86           HG2      ARG  86  -4.717  -8.877  -3.283
  665    HG3  ARG  86           HG3      ARG  86  -5.094  -8.676  -5.003
  666    HD2  ARG  86           HD2      ARG  86  -2.658  -8.779  -5.541
  667    HD3  ARG  86           HD3      ARG  86  -2.314  -9.046  -3.819
  668    HE   ARG  86           HE       ARG  86  -4.173 -10.942  -5.040
  669   HH11  ARG  86          HH11      ARG  86  -0.865 -10.217  -4.013
  670   HH12  ARG  86          HH12      ARG  86  -0.361 -11.893  -4.058
  671   HH21  ARG  86          HH21      ARG  86  -3.478 -13.135  -5.064
  672   HH22  ARG  86          HH22      ARG  86  -1.833 -13.528  -4.635
  673    H    VAL  87           H        VAL  87  -0.618  -5.744  -3.442
  674    HA   VAL  87           HA       VAL  87  -1.458  -2.924  -3.887
  675    HB   VAL  87           HB       VAL  87  -0.931  -2.867  -1.615
  676   HG11  VAL  87          HG11      VAL  87   1.525  -4.543  -2.156
  677   HG12  VAL  87          HG12      VAL  87   1.127  -3.750  -0.612
  678   HG13  VAL  87          HG13      VAL  87   0.056  -5.006  -1.233
  679   HG21  VAL  87          HG21      VAL  87   0.241  -1.120  -2.953
  680   HG22  VAL  87          HG22      VAL  87   1.126  -1.552  -1.476
  681   HG23  VAL  87          HG23      VAL  87   1.668  -2.181  -3.050
  682    H    GLN  88           H        GLN  88  -0.584  -2.020  -5.532
  683    HA   GLN  88           HA       GLN  88   2.043  -2.678  -6.669
  684    HB2  GLN  88           HB2      GLN  88  -0.562  -3.229  -8.177
  685    HB3  GLN  88           HB3      GLN  88   1.057  -3.225  -8.887
  686    HG2  GLN  88           HG2      GLN  88   1.707  -5.091  -7.359
  687    HG3  GLN  88           HG3      GLN  88   0.034  -5.170  -6.779
  688   HE21  GLN  88          HE22      GLN  88   1.409  -7.338  -8.041
  689   HE22  GLN  88          HE21      GLN  88   0.596  -7.666  -9.558
  690    H    MET  89           H        MET  89   2.220  -1.407  -8.801
  691    HA   MET  89           HA       MET  89   1.819   1.352  -8.196
  692    HB2  MET  89           HB2      MET  89   2.710  -0.161 -10.669
  693    HB3  MET  89           HB3      MET  89   2.855   1.602 -10.470
  694    HG2  MET  89           HG2      MET  89   3.923  -0.317  -8.366
  695    HG3  MET  89           HG3      MET  89   4.881   0.052  -9.770
  696    HE1  MET  89           HE1      MET  89   6.447   2.017  -6.691
  697    HE2  MET  89           HE2      MET  89   5.532   0.498  -6.615
  698    HE3  MET  89           HE3      MET  89   6.713   0.761  -7.927
  699    H    ALA  90           H        ALA  90   0.450   2.866  -9.176
  700    HA   ALA  90           HA       ALA  90  -2.133   1.891 -10.033
  701    HB1  ALA  90           HB1      ALA  90  -0.978   4.707  -9.958
  702    HB2  ALA  90           HB2      ALA  90  -2.695   4.280 -10.120
  703    HB3  ALA  90           HB3      ALA  90  -1.818   3.897  -8.618
  704    H    ARG  91           H        ARG  91  -3.215   2.926 -11.989
  705    HA   ARG  91           HA       ARG  91  -1.423   3.518 -14.252
  706    HB2  ARG  91           HB2      ARG  91  -1.821   1.012 -14.110
  707    HB3  ARG  91           HB3      ARG  91  -3.534   1.333 -14.453
  708    HG2  ARG  91           HG2      ARG  91  -2.922   2.334 -16.622
  709    HG3  ARG  91           HG3      ARG  91  -1.197   2.152 -16.237
  710    HD2  ARG  91           HD2      ARG  91  -1.498  -0.300 -16.103
  711    HD3  ARG  91           HD3      ARG  91  -3.216  -0.106 -16.515
  712    HE   ARG  91           HE       ARG  91  -1.691   1.184 -18.523
  713   HH11  ARG  91          HH11      ARG  91  -2.274  -2.088 -17.298
  714   HH12  ARG  91          HH12      ARG  91  -1.972  -2.844 -18.841
  715   HH21  ARG  91          HH21      ARG  91  -1.303   0.170 -20.526
  716   HH22  ARG  91          HH22      ARG  91  -1.413  -1.570 -20.662
  717    H    TYR  92           H        TYR  92  -3.989   4.384 -12.416
  718    HA   TYR  92           HA       TYR  92  -5.315   5.796 -14.676
  719    HB2  TYR  92           HB2      TYR  92  -6.713   4.586 -12.291
  720    HB3  TYR  92           HB3      TYR  92  -7.478   5.440 -13.623
  721    HD1  TYR  92           HD2      TYR  92  -6.288   4.217 -16.023
  722    HD2  TYR  92           HD1      TYR  92  -7.500   2.421 -12.304
  723    HE1  TYR  92           HE2      TYR  92  -6.602   2.045 -17.174
  724    HE2  TYR  92           HE1      TYR  92  -7.795   0.247 -13.437
  725    HH   TYR  92           HH       TYR  92  -7.673  -0.904 -15.443
  726    H    GLY  93           H        GLY  93  -6.868   7.584 -13.544
  727    HA2  GLY  93           HA2      GLY  93  -5.035   9.041 -11.679
  728    HA3  GLY  93           HA3      GLY  93  -5.818   9.789 -13.060
  729    H    ARG  94           H        ARG  94  -6.146  11.124 -10.933
  730    HA   ARG  94           HA       ARG  94  -8.096  10.428  -9.015
  731    HB2  ARG  94           HB2      ARG  94  -7.963  12.817  -8.435
  732    HB3  ARG  94           HB3      ARG  94  -6.356  12.181  -8.793
  733    HG2  ARG  94           HG2      ARG  94  -6.475  13.141 -11.076
  734    HG3  ARG  94           HG3      ARG  94  -8.104  13.760 -10.734
  735    HD2  ARG  94           HD2      ARG  94  -7.188  15.108  -8.862
  736    HD3  ARG  94           HD3      ARG  94  -5.563  14.501  -9.236
  737    HE   ARG  94           HE       ARG  94  -5.435  15.905 -11.077
  738   HH11  ARG  94          HH11      ARG  94  -8.742  15.889  -9.846
  739   HH12  ARG  94          HH12      ARG  94  -9.248  17.233 -10.842
  740   HH21  ARG  94          HH21      ARG  94  -6.112  17.663 -12.365
  741   HH22  ARG  94          HH22      ARG  94  -7.760  18.229 -12.269
  742    HA   PRO  95           HA       PRO  95 -12.236  10.966 -10.287
  743    HB2  PRO  95           HB2      PRO  95 -11.997  13.490  -8.620
  744    HB3  PRO  95           HB3      PRO  95 -13.443  12.455  -8.808
  745    HG2  PRO  95           HG2      PRO  95 -11.842  11.989  -6.733
  746    HG3  PRO  95           HG3      PRO  95 -12.278  10.585  -7.767
  747    HD2  PRO  95           HD2      PRO  95  -9.720  12.189  -7.751
  748    HD3  PRO  95           HD3      PRO  95  -9.934  10.423  -7.940
  749    HA   PRO  96           HA       PRO  96 -11.984  14.024 -13.657
  750    HB2  PRO  96           HB2      PRO  96 -13.075  12.461 -15.596
  751    HB3  PRO  96           HB3      PRO  96 -11.354  12.304 -15.110
  752    HG2  PRO  96           HG2      PRO  96 -13.679  10.540 -14.336
  753    HG3  PRO  96           HG3      PRO  96 -12.008  10.075 -14.755
  754    HD2  PRO  96           HD2      PRO  96 -12.991  10.388 -12.149
  755    HD3  PRO  96           HD3      PRO  96 -11.262  10.469 -12.603
  756    H    ASP  97           H        ASP  97 -14.638  11.594 -13.522
  757    HA   ASP  97           HA       ASP  97 -16.572  13.184 -12.220
  758    HB2  ASP  97           HB2      ASP  97 -16.631  14.574 -14.231
  759    HB3  ASP  97           HB3      ASP  97 -16.755  13.131 -15.258
  760    H    SER  98           H        SER  98 -17.996  11.826 -11.464
  761    HA   SER  98           HA       SER  98 -19.113   9.575 -12.977
  762    HB2  SER  98           HB2      SER  98 -17.559   9.139 -10.388
  763    HB3  SER  98           HB3      SER  98 -18.593   7.938 -11.173
  764    HG   SER  98           HG       SER  98 -16.200   7.955 -11.625
  765    H    HIS  99           H        HIS  99 -19.705  12.215 -11.329
  766    HA   HIS  99           HA       HIS  99 -21.754  11.071  -9.517
  767    HB2  HIS  99           HB2      HIS  99 -20.822  12.324  -7.645
  768    HB3  HIS  99           HB3      HIS  99 -19.585  11.248  -8.314
  769    HD2  HIS  99           HD2      HIS  99 -20.327  14.929  -7.707
  770    HE1  HIS  99           HE1      HIS  99 -16.628  14.831  -9.809
  771    HE2  HIS  99           HE2      HIS  99 -18.244  16.305  -8.505
  772    H    HIS 100           H        HIS 100 -21.267  13.062 -12.036
  773    HA   HIS 100           HA       HIS 100 -23.437  14.882 -11.210
  774    HB2  HIS 100           HB2      HIS 100 -21.287  16.003 -10.616
  775    HB3  HIS 100           HB3      HIS 100 -20.762  15.851 -12.299
  776    HD2  HIS 100           HD2      HIS 100 -20.834  18.266 -13.240
  777    HE1  HIS 100           HE1      HIS 100 -24.674  19.460 -11.855
  778    HE2  HIS 100           HE2      HIS 100 -22.658  20.151 -13.255
  779    H    SER 101           H        SER 101 -24.075  16.272 -13.188
  780    HA   SER 101           HA       SER 101 -23.599  14.957 -15.789
  781    HB2  SER 101           HB2      SER 101 -26.356  15.240 -14.534
  782    HB3  SER 101           HB3      SER 101 -26.015  14.699 -16.193
  783    HG   SER 101           HG       SER 101 -24.859  12.941 -15.286
  784    H5'    U 102           H5'        U 102 -12.452  -3.164 -12.395
  785   H5''    U 102          H5''        U 102 -11.628  -4.673 -11.986
  786    H4'    U 102           H4'        U 102 -11.003  -3.070 -10.330
  787    H3'    U 102           H3'        U 102 -12.145  -5.478  -9.635
  788    H2'    U 102           H2'        U 102 -14.344  -4.749  -9.273
  789   HO2'    U 102          HO2'        U 102 -13.587  -5.445  -7.199
  790    H1'    U 102           H1'        U 102 -13.551  -2.131  -8.065
  791    H3     U 102           H3         U 102 -18.181  -2.087  -8.103
  792    H5     U 102           H5         U 102 -17.037  -2.022 -12.143
  793    H6     U 102           H6         U 102 -14.741  -2.385 -11.434
  794   HO5'    U 102          HO5'        U 102 -13.829  -5.002 -12.526
  795    H5'    G 103           H5'        G 103  -8.658  -2.389  -6.669
  796   H5''    G 103          H5''        G 103 -10.368  -2.034  -6.966
  797    H4'    G 103           H4'        G 103  -9.050   0.032  -6.826
  798    H3'    G 103           H3'        G 103 -10.640  -0.677  -9.182
  799    H2'    G 103           H2'        G 103  -9.004  -0.198 -10.652
  800   HO2'    G 103          HO2'        G 103 -10.336   1.811 -10.557
  801    H1'    G 103           H1'        G 103  -7.689   1.548  -8.549
  802    H8     G 103           H8         G 103  -5.956   2.633 -10.024
  803    H1     G 103           H1         G 103  -4.442  -2.911 -12.897
  804    H21    G 103           H21        G 103  -5.902  -4.494 -12.256
  805    H22    G 103           H22        G 103  -7.209  -4.130 -11.147
  806    H5'    G 104           H5'        G 104 -11.921   4.422  -9.574
  807   H5''    G 104          H5''        G 104 -10.451   3.972  -8.668
  808    H4'    G 104           H4'        G 104 -12.662   5.246  -7.129
  809    H3'    G 104           H3'        G 104 -11.094   6.771  -9.215
  810    H2'    G 104           H2'        G 104 -11.134   8.632  -7.762
  811   HO2'    G 104          HO2'        G 104 -13.373   8.331  -7.135
  812    H1'    G 104           H1'        G 104 -10.622   7.227  -5.474
  813    H8     G 104           H8         G 104  -8.742   9.141  -5.714
  814    H1     G 104           H1         G 104  -5.921   5.828 -10.422
  815    H21    G 104           H21        G 104  -7.194   4.015 -10.917
  816    H22    G 104           H22        G 104  -8.716   3.729 -10.102
  817    H5'    A 105           H5'        A 105 -15.747   9.922  -9.884
  818   H5''    A 105          H5''        A 105 -14.299  10.903  -9.693
  819    H4'    A 105           H4'        A 105 -15.524  12.048  -8.162
  820    H3'    A 105           H3'        A 105 -14.117  10.151  -6.736
  821    H2'    A 105           H2'        A 105 -15.606   8.504  -6.411
  822   HO2'    A 105          HO2'        A 105 -15.616   9.592  -4.304
  823    H1'    A 105           H1'        A 105 -18.115  10.002  -6.405
  824    H8     A 105           H8         A 105 -15.800   7.575  -8.170
  825    H61    A 105           H61        A 105 -20.926   4.451  -9.783
  826    H62    A 105           H62        A 105 -19.167   4.462  -9.873
  827    H2     A 105           H2         A 105 -22.131   8.108  -7.600
  828    H5'    G 106           H5'        G 106 -16.590  11.142  -3.211
  829   H5''    G 106          H5''        G 106 -17.823  12.404  -3.082
  830    H4'    G 106           H4'        G 106 -17.123  11.876  -0.878
  831    H3'    G 106           H3'        G 106 -16.968  14.488  -1.708
  832    H2'    G 106           H2'        G 106 -14.737  14.570  -2.342
  833   HO2'    G 106          HO2'        G 106 -14.774  14.947   0.468
  834    H1'    G 106           H1'        G 106 -13.696  12.832  -0.134
  835    H8     G 106           H8         G 106 -13.723  13.734  -3.895
  836    H1     G 106           H1         G 106  -8.701  10.304  -1.846
  837    H21    G 106           H21        G 106  -9.017   9.706   0.256
  838    H22    G 106           H22        G 106 -10.478  10.115   1.135
  839    H5'    U 107           H5'        U 107 -20.312  15.544  -0.974
  840   H5''    U 107          H5''        U 107 -18.890  14.880  -1.781
  841    H4'    U 107           H4'        U 107 -19.623  17.178  -2.577
  842    H3'    U 107           H3'        U 107 -17.073  16.225  -2.656
  843   HO3'    U 107          HO3'        U 107 -17.948  17.889  -4.014
  844    H2'    U 107           H2'        U 107 -16.684  16.667  -0.368
  845   HO2'    U 107          HO2'        U 107 -14.929  17.460  -1.469
  846    H1'    U 107           H1'        U 107 -17.644  19.489  -0.850
  847    H3     U 107           H3         U 107 -19.268  19.903   3.656
  848    H5     U 107           H5         U 107 -15.810  17.516   3.608
  849    H6     U 107           H6         U 107 -15.983  17.426   1.192
  Start of MODEL    4
    1    H    MET   1           H1       MET   1 -15.519  16.428   8.266
    2    HA   MET   1           HA       MET   1 -17.311  14.916   7.887
    3    HB2  MET   1           HB2      MET   1 -19.062  16.659   7.660
    4    HB3  MET   1           HB3      MET   1 -18.379  17.118   6.083
    5    HG2  MET   1           HG2      MET   1 -18.822  14.830   5.243
    6    HG3  MET   1           HG3      MET   1 -19.462  14.371   6.829
    7    HE1  MET   1           HE1      MET   1 -20.028  17.717   4.710
    8    HE2  MET   1           HE2      MET   1 -19.982  16.370   3.540
    9    HE3  MET   1           HE3      MET   1 -21.501  17.260   3.838
   10    H    SER   2           H        SER   2 -16.706  13.359   6.506
   11    HA   SER   2           HA       SER   2 -15.405  12.265   5.023
   12    HB2  SER   2           HB2      SER   2 -16.390  14.552   3.322
   13    HB3  SER   2           HB3      SER   2 -15.671  13.049   2.677
   14    HG   SER   2           HG       SER   2 -18.032  13.135   2.865
   15    H    TYR   3           H        TYR   3 -13.680  12.625   3.099
   16    HA   TYR   3           HA       TYR   3 -11.349  13.768   4.352
   17    HB2  TYR   3           HB2      TYR   3 -11.949  12.714   1.568
   18    HB3  TYR   3           HB3      TYR   3 -10.340  13.244   2.082
   19    HD1  TYR   3           HD1      TYR   3 -13.065  10.823   2.881
   20    HD2  TYR   3           HD2      TYR   3  -8.900  11.796   3.244
   21    HE1  TYR   3           HE1      TYR   3 -12.642   8.589   3.890
   22    HE2  TYR   3           HE2      TYR   3  -8.450   9.546   4.217
   23    HH   TYR   3           HH       TYR   3 -11.090   7.189   4.804
   24    H    GLY   4           H        GLY   4 -13.686  14.880   1.925
   25    HA2  GLY   4           HA2      GLY   4 -14.207  17.013   1.361
   26    HA3  GLY   4           HA3      GLY   4 -12.855  17.630   2.346
   27    H    ARG   5           H        ARG   5 -12.688  15.254  -0.310
   28    HA   ARG   5           HA       ARG   5 -11.079  15.156  -1.942
   29    HB2  ARG   5           HB2      ARG   5 -11.829  16.668  -3.886
   30    HB3  ARG   5           HB3      ARG   5 -12.858  15.402  -3.251
   31    HG2  ARG   5           HG2      ARG   5 -14.296  17.214  -3.593
   32    HG3  ARG   5           HG3      ARG   5 -14.052  17.096  -1.851
   33    HD2  ARG   5           HD2      ARG   5 -14.012  19.424  -2.523
   34    HD3  ARG   5           HD3      ARG   5 -12.385  18.955  -1.992
   35    HE   ARG   5           HE       ARG   5 -12.803  18.654  -4.859
   36   HH11  ARG   5          HH11      ARG   5 -11.939  20.939  -2.311
   37   HH12  ARG   5          HH12      ARG   5 -11.052  22.000  -3.389
   38   HH21  ARG   5          HH21      ARG   5 -11.646  20.049  -6.247
   39   HH22  ARG   5          HH22      ARG   5 -10.894  21.491  -5.613
   40    HA   PRO   6           HA       PRO   6  -8.530  18.779  -0.513
   41    HB2  PRO   6           HB2      PRO   6  -6.463  17.365   0.631
   42    HB3  PRO   6           HB3      PRO   6  -7.982  17.781   1.495
   43    HG2  PRO   6           HG2      PRO   6  -7.295  15.182   0.096
   44    HG3  PRO   6           HG3      PRO   6  -7.966  15.408   1.748
   45    HD2  PRO   6           HD2      PRO   6  -9.579  14.838  -0.373
   46    HD3  PRO   6           HD3      PRO   6 -10.095  15.974   0.897
   47    HA   PRO   7           HA       PRO   7  -6.170  18.328  -4.228
   48    HB2  PRO   7           HB2      PRO   7  -4.365  20.362  -3.995
   49    HB3  PRO   7           HB3      PRO   7  -6.121  20.642  -4.227
   50    HG2  PRO   7           HG2      PRO   7  -4.554  20.673  -1.632
   51    HG3  PRO   7           HG3      PRO   7  -5.754  21.873  -2.226
   52    HD2  PRO   7           HD2      PRO   7  -6.414  19.882  -0.461
   53    HD3  PRO   7           HD3      PRO   7  -7.553  20.462  -1.715
   54    HA   PRO   8           HA       PRO   8  -2.610  15.960  -2.628
   55    HB2  PRO   8           HB2      PRO   8  -2.620  13.987  -4.404
   56    HB3  PRO   8           HB3      PRO   8  -4.036  14.165  -3.320
   57    HG2  PRO   8           HG2      PRO   8  -3.762  15.220  -6.157
   58    HG3  PRO   8           HG3      PRO   8  -5.085  14.204  -5.492
   59    HD2  PRO   8           HD2      PRO   8  -5.187  16.963  -5.609
   60    HD3  PRO   8           HD3      PRO   8  -6.003  16.014  -4.327
   61    H    ASP   9           H        ASP   9  -0.832  14.789  -4.432
   62    HA   ASP   9           HA       ASP   9  -0.067  16.912  -6.339
   63    HB2  ASP   9           HB2      ASP   9   2.239  16.865  -5.604
   64    HB3  ASP   9           HB3      ASP   9   1.178  17.349  -4.280
   65    H    VAL  10           H        VAL  10  -1.399  14.449  -6.750
   66    HA   VAL  10           HA       VAL  10   0.284  12.345  -7.616
   67    HB   VAL  10           HB       VAL  10  -1.703  11.451  -8.646
   68   HG11  VAL  10          HG11      VAL  10  -3.256  11.517  -6.766
   69   HG12  VAL  10          HG12      VAL  10  -1.583  11.501  -6.154
   70   HG13  VAL  10          HG13      VAL  10  -2.513  13.019  -6.170
   71   HG21  VAL  10          HG21      VAL  10  -3.785  12.763  -8.812
   72   HG22  VAL  10          HG22      VAL  10  -2.920  14.223  -8.281
   73   HG23  VAL  10          HG23      VAL  10  -2.511  13.460  -9.831
   74    H    GLU  11           H        GLU  11   0.480  15.328  -8.865
   75    HA   GLU  11           HA       GLU  11  -0.045  15.021 -11.640
   76    HB2  GLU  11           HB2      GLU  11   1.828  16.926 -10.189
   77    HB3  GLU  11           HB3      GLU  11   1.217  17.143 -11.840
   78    HG2  GLU  11           HG2      GLU  11  -0.445  17.067  -9.286
   79    HG3  GLU  11           HG3      GLU  11  -0.038  18.505 -10.222
   80    H    GLY  12           H        GLY  12   2.207  13.297  -9.992
   81    HA2  GLY  12           HA2      GLY  12   3.504  12.278 -12.244
   82    HA3  GLY  12           HA3      GLY  12   4.539  13.596 -11.663
   83    H    MET  13           H        MET  13   3.238  12.616  -8.818
   84    HA   MET  13           HA       MET  13   5.602  11.246  -8.013
   85    HB2  MET  13           HB2      MET  13   4.620  11.204  -5.876
   86    HB3  MET  13           HB3      MET  13   4.028  12.678  -6.638
   87    HG2  MET  13           HG2      MET  13   1.961  11.281  -7.317
   88    HG3  MET  13           HG3      MET  13   2.560  10.076  -6.160
   89    HE1  MET  13           HE1      MET  13  -0.016  10.517  -5.497
   90    HE2  MET  13           HE2      MET  13   0.921  10.044  -4.064
   91    HE3  MET  13           HE3      MET  13  -0.247  11.394  -3.959
   92    H    THR  14           H        THR  14   5.418   9.086  -6.729
   93    HA   THR  14           HA       THR  14   5.225   7.111  -8.729
   94    HB   THR  14           HB       THR  14   5.537   6.979  -5.713
   95   HG21  THR  14          HG21      THR  14   4.527   4.854  -6.383
   96   HG22  THR  14          HG22      THR  14   5.660   4.708  -7.745
   97   HG23  THR  14          HG23      THR  14   6.252   4.619  -6.067
   98    H    SER  15           H        SER  15   2.729   8.183  -6.489
   99    HA   SER  15           HA       SER  15   0.646   7.435  -6.047
  100    HB2  SER  15           HB2      SER  15   0.757   7.054  -9.064
  101    HB3  SER  15           HB3      SER  15  -0.729   7.112  -8.096
  102    HG   SER  15           HG       SER  15   1.231   9.140  -8.407
  103    H    LEU  16           H        LEU  16   2.484   5.289  -5.531
  104    HA   LEU  16           HA       LEU  16   1.494   2.813  -6.643
  105    HB2  LEU  16           HB2      LEU  16   3.634   2.886  -5.639
  106    HB3  LEU  16           HB3      LEU  16   3.028   3.556  -4.135
  107    HG   LEU  16           HG       LEU  16   3.791   1.201  -4.001
  108   HD11  LEU  16          HD11      LEU  16   0.836   1.362  -3.352
  109   HD12  LEU  16          HD12      LEU  16   2.105   0.405  -2.562
  110   HD13  LEU  16          HD13      LEU  16   2.122   2.164  -2.406
  111   HD21  LEU  16          HD21      LEU  16   2.464  -0.604  -4.891
  112   HD22  LEU  16          HD22      LEU  16   1.344   0.544  -5.657
  113   HD23  LEU  16          HD23      LEU  16   3.043   0.447  -6.204
  114    H    LYS  17           H        LYS  17  -0.234   1.478  -5.988
  115    HA   LYS  17           HA       LYS  17  -2.006   2.669  -3.897
  116    HB2  LYS  17           HB2      LYS  17  -3.912   2.448  -5.389
  117    HB3  LYS  17           HB3      LYS  17  -2.659   3.460  -6.134
  118    HG2  LYS  17           HG2      LYS  17  -3.068   2.125  -7.946
  119    HG3  LYS  17           HG3      LYS  17  -1.900   1.066  -7.140
  120    HD2  LYS  17           HD2      LYS  17  -4.056   0.112  -5.919
  121    HD3  LYS  17           HD3      LYS  17  -4.911   0.876  -7.275
  122    HE2  LYS  17           HE2      LYS  17  -3.491  -0.414  -8.864
  123    HE3  LYS  17           HE3      LYS  17  -2.635  -1.140  -7.496
  124    HZ1  LYS  17           HZ1      LYS  17  -4.332  -2.620  -8.243
  125    HZ2  LYS  17           HZ2      LYS  17  -4.791  -2.023  -6.771
  126    HZ3  LYS  17           HZ3      LYS  17  -5.494  -1.461  -8.124
  127    H    VAL  18           H        VAL  18  -3.605   1.279  -3.019
  128    HA   VAL  18           HA       VAL  18  -2.916  -1.618  -3.300
  129    HB   VAL  18           HB       VAL  18  -2.446  -1.971  -1.115
  130   HG11  VAL  18          HG11      VAL  18  -0.761  -0.328  -1.920
  131   HG12  VAL  18          HG12      VAL  18  -1.746   1.001  -1.283
  132   HG13  VAL  18          HG13      VAL  18  -1.047  -0.188  -0.171
  133   HG21  VAL  18          HG21      VAL  18  -3.206  -0.476   0.755
  134   HG22  VAL  18          HG22      VAL  18  -4.216   0.381  -0.445
  135   HG23  VAL  18          HG23      VAL  18  -4.487  -1.341  -0.106
  136    H    ASP  19           H        ASP  19  -4.507  -3.093  -2.445
  137    HA   ASP  19           HA       ASP  19  -7.233  -2.099  -1.949
  138    HB2  ASP  19           HB2      ASP  19  -6.524  -3.811  -4.366
  139    HB3  ASP  19           HB3      ASP  19  -8.150  -3.333  -3.873
  140    H    ASN  20           H        ASN  20  -8.710  -4.245  -2.076
  141    HA   ASN  20           HA       ASN  20  -9.024  -6.490  -1.935
  142    HB2  ASN  20           HB2      ASN  20  -6.422  -6.661  -2.379
  143    HB3  ASN  20           HB3      ASN  20  -6.363  -7.057  -0.651
  144   HD21  ASN  20          HD22      ASN  20  -5.718  -9.227  -1.046
  145   HD22  ASN  20          HD21      ASN  20  -6.748 -10.381  -1.868
  146    H    LEU  21           H        LEU  21  -9.558  -4.410   0.003
  147    HA   LEU  21           HA       LEU  21  -8.981  -5.079   2.684
  148    HB2  LEU  21           HB2      LEU  21 -11.295  -3.632   1.348
  149    HB3  LEU  21           HB3      LEU  21 -11.168  -3.765   3.086
  150    HG   LEU  21           HG       LEU  21 -10.304  -1.630   1.867
  151   HD11  LEU  21          HD11      LEU  21 -10.199  -2.131   4.274
  152   HD12  LEU  21          HD12      LEU  21  -8.666  -3.004   4.013
  153   HD13  LEU  21          HD13      LEU  21  -8.775  -1.243   3.714
  154   HD21  LEU  21          HD21      LEU  21  -8.695  -2.742   0.318
  155   HD22  LEU  21          HD22      LEU  21  -7.881  -1.628   1.430
  156   HD23  LEU  21          HD23      LEU  21  -7.800  -3.368   1.729
  157    H    THR  22           H        THR  22  -9.477  -6.907   3.745
  158    HA   THR  22           HA       THR  22 -11.591  -8.655   2.913
  159    HB   THR  22           HB       THR  22 -10.142  -8.598   5.591
  160   HG21  THR  22          HG21      THR  22 -11.385 -10.806   3.914
  161   HG22  THR  22          HG22      THR  22 -10.331 -11.093   5.321
  162   HG23  THR  22          HG23      THR  22 -11.882 -10.271   5.548
  163    H    TYR  23           H        TYR  23 -13.317  -9.349   4.543
  164    HA   TYR  23           HA       TYR  23 -15.101  -7.209   4.972
  165    HB2  TYR  23           HB2      TYR  23 -16.541  -8.933   5.922
  166    HB3  TYR  23           HB3      TYR  23 -15.746  -9.518   4.470
  167    HD1  TYR  23           HD2      TYR  23 -13.982 -11.253   4.592
  168    HD2  TYR  23           HD1      TYR  23 -16.041  -9.881   8.119
  169    HE1  TYR  23           HE2      TYR  23 -13.149 -13.218   5.839
  170    HE2  TYR  23           HE1      TYR  23 -15.197 -11.850   9.373
  171    HH   TYR  23           HH       TYR  23 -13.941 -13.761   9.291
  172    H    ARG  24           H        ARG  24 -12.411  -7.403   6.714
  173    HA   ARG  24           HA       ARG  24 -13.715  -6.687   9.295
  174    HB2  ARG  24           HB2      ARG  24 -11.959  -7.929  10.453
  175    HB3  ARG  24           HB3      ARG  24 -12.757  -9.005   9.289
  176    HG2  ARG  24           HG2      ARG  24 -10.913  -8.445   7.629
  177    HG3  ARG  24           HG3      ARG  24 -10.078  -7.578   8.940
  178    HD2  ARG  24           HD2      ARG  24 -10.188  -9.684  10.295
  179    HD3  ARG  24           HD3      ARG  24 -10.857 -10.503   8.856
  180    HE   ARG  24           HE       ARG  24  -8.611  -9.553   7.790
  181   HH11  ARG  24          HH11      ARG  24  -9.054 -11.051  10.966
  182   HH12  ARG  24          HH12      ARG  24  -7.402 -11.625  11.043
  183   HH21  ARG  24          HH21      ARG  24  -6.465 -10.276   7.947
  184   HH22  ARG  24          HH22      ARG  24  -5.943 -11.181   9.345
  185    H    THR  25           H        THR  25 -12.499  -5.165   6.900
  186    HA   THR  25           HA       THR  25 -10.430  -3.646   8.446
  187    HB   THR  25           HB       THR  25 -10.247  -3.959   5.453
  188   HG21  THR  25          HG21      THR  25  -8.746  -2.357   6.561
  189   HG22  THR  25          HG22      THR  25  -8.268  -3.600   7.747
  190   HG23  THR  25          HG23      THR  25  -7.818  -3.778   6.038
  191    H    SER  26           H        SER  26 -10.006  -1.437   7.393
  192    HA   SER  26           HA       SER  26 -12.329  -0.176   6.106
  193    HB2  SER  26           HB2      SER  26 -12.648   1.426   7.940
  194    HB3  SER  26           HB3      SER  26 -12.805  -0.218   8.582
  195    HG   SER  26           HG       SER  26 -11.469   1.069   9.880
  196    HA   PRO  27           HA       PRO  27  -9.082   2.283   4.448
  197    HB2  PRO  27           HB2      PRO  27 -10.078   4.817   4.222
  198    HB3  PRO  27           HB3      PRO  27 -10.648   3.437   3.229
  199    HG2  PRO  27           HG2      PRO  27 -11.888   4.571   5.750
  200    HG3  PRO  27           HG3      PRO  27 -12.709   4.152   4.212
  201    HD2  PRO  27           HD2      PRO  27 -12.709   2.473   6.339
  202    HD3  PRO  27           HD3      PRO  27 -12.588   1.837   4.686
  203    H    ASP  28           H        ASP  28 -10.487   3.515   7.506
  204    HA   ASP  28           HA       ASP  28  -8.331   5.331   8.082
  205    HB2  ASP  28           HB2      ASP  28 -10.530   5.348   9.244
  206    HB3  ASP  28           HB3      ASP  28 -10.122   3.783   9.987
  207    H    THR  29           H        THR  29  -8.840   1.838   8.528
  208    HA   THR  29           HA       THR  29  -6.462   1.519  10.174
  209    HB   THR  29           HB       THR  29  -8.073  -0.529   8.581
  210   HG21  THR  29          HG21      THR  29  -5.979  -0.778  10.784
  211   HG22  THR  29          HG22      THR  29  -7.010  -2.119  10.209
  212   HG23  THR  29          HG23      THR  29  -5.851  -1.357   9.101
  213    H    LEU  30           H        LEU  30  -7.326   0.976   6.715
  214    HA   LEU  30           HA       LEU  30  -4.806   0.031   5.886
  215    HB2  LEU  30           HB2      LEU  30  -7.305   0.935   4.726
  216    HB3  LEU  30           HB3      LEU  30  -5.975   1.620   3.800
  217    HG   LEU  30           HG       LEU  30  -6.869  -0.599   2.999
  218   HD11  LEU  30          HD11      LEU  30  -3.945  -0.295   3.728
  219   HD12  LEU  30          HD12      LEU  30  -4.564  -1.601   2.672
  220   HD13  LEU  30          HD13      LEU  30  -4.769   0.095   2.200
  221   HD21  LEU  30          HD21      LEU  30  -7.098  -1.592   5.318
  222   HD22  LEU  30          HD22      LEU  30  -6.296  -2.634   4.122
  223   HD23  LEU  30          HD23      LEU  30  -5.325  -1.794   5.342
  224    H    ARG  31           H        ARG  31  -5.723   3.201   6.909
  225    HA   ARG  31           HA       ARG  31  -3.577   4.606   5.502
  226    HB2  ARG  31           HB2      ARG  31  -5.822   5.540   6.400
  227    HB3  ARG  31           HB3      ARG  31  -5.079   5.489   7.991
  228    HG2  ARG  31           HG2      ARG  31  -4.135   7.116   5.583
  229    HG3  ARG  31           HG3      ARG  31  -4.897   7.725   7.054
  230    HD2  ARG  31           HD2      ARG  31  -2.856   6.775   8.311
  231    HD3  ARG  31           HD3      ARG  31  -2.126   6.560   6.705
  232    HE   ARG  31           HE       ARG  31  -1.816   8.843   6.525
  233   HH11  ARG  31          HH11      ARG  31  -3.967   8.185   9.267
  234   HH12  ARG  31          HH12      ARG  31  -3.903   9.834   9.842
  235   HH21  ARG  31          HH21      ARG  31  -1.778  10.971   7.306
  236   HH22  ARG  31          HH22      ARG  31  -2.696  11.406   8.731
  237    H    ARG  32           H        ARG  32  -4.290   3.659   8.905
  238    HA   ARG  32           HA       ARG  32  -1.782   4.401  10.011
  239    HB2  ARG  32           HB2      ARG  32  -3.243   4.138  11.716
  240    HB3  ARG  32           HB3      ARG  32  -4.320   3.171  10.720
  241    HG2  ARG  32           HG2      ARG  32  -2.766   1.191  11.127
  242    HG3  ARG  32           HG3      ARG  32  -2.002   2.187  12.401
  243    HD2  ARG  32           HD2      ARG  32  -4.906   1.335  12.127
  244    HD3  ARG  32           HD3      ARG  32  -3.745   0.730  13.311
  245    HE   ARG  32           HE       ARG  32  -3.802   2.856  14.461
  246   HH11  ARG  32          HH11      ARG  32  -6.201   2.577  11.872
  247   HH12  ARG  32          HH12      ARG  32  -7.168   3.901  12.471
  248   HH21  ARG  32          HH21      ARG  32  -5.104   4.551  15.238
  249   HH22  ARG  32          HH22      ARG  32  -6.553   5.002  14.370
  250    H    VAL  33           H        VAL  33  -2.877   1.486   8.339
  251    HA   VAL  33           HA       VAL  33  -0.725  -0.159   9.401
  252    HB   VAL  33           HB       VAL  33  -2.883  -0.581   7.307
  253   HG11  VAL  33          HG11      VAL  33  -0.992  -2.013   6.719
  254   HG12  VAL  33          HG12      VAL  33  -0.853  -2.568   8.411
  255   HG13  VAL  33          HG13      VAL  33  -2.284  -2.990   7.436
  256   HG21  VAL  33          HG21      VAL  33  -2.447  -1.656  10.127
  257   HG22  VAL  33          HG22      VAL  33  -3.609  -0.389   9.672
  258   HG23  VAL  33          HG23      VAL  33  -3.821  -2.045   9.058
  259    H    PHE  34           H        PHE  34  -1.358   1.666   6.387
  260    HA   PHE  34           HA       PHE  34   1.181   0.629   5.242
  261    HB2  PHE  34           HB2      PHE  34  -1.304   1.922   4.193
  262    HB3  PHE  34           HB3      PHE  34   0.167   2.150   3.298
  263    HD1  PHE  34           HD1      PHE  34  -2.105  -0.456   4.681
  264    HD2  PHE  34           HD2      PHE  34   1.069   0.384   1.909
  265    HE1  PHE  34           HE1      PHE  34  -2.474  -2.651   3.589
  266    HE2  PHE  34           HE2      PHE  34   0.721  -1.837   0.842
  267    HZ   PHE  34           HZ       PHE  34  -1.073  -3.329   1.651
  268    H    GLU  35           H        GLU  35   0.073   3.323   7.075
  269    HA   GLU  35           HA       GLU  35   1.840   5.301   5.936
  270    HB2  GLU  35           HB2      GLU  35  -0.098   5.993   7.172
  271    HB3  GLU  35           HB3      GLU  35   0.381   5.038   8.589
  272    HG2  GLU  35           HG2      GLU  35   2.245   6.492   9.023
  273    HG3  GLU  35           HG3      GLU  35   1.988   7.370   7.499
  274    H    LYS  36           H        LYS  36   2.267   2.682   8.282
  275    HA   LYS  36           HA       LYS  36   4.545   3.821   9.596
  276    HB2  LYS  36           HB2      LYS  36   4.870   1.620  10.516
  277    HB3  LYS  36           HB3      LYS  36   3.144   2.026  10.544
  278    HG2  LYS  36           HG2      LYS  36   2.868   0.675   8.431
  279    HG3  LYS  36           HG3      LYS  36   4.565   0.168   8.588
  280    HD2  LYS  36           HD2      LYS  36   4.047  -0.734  10.868
  281    HD3  LYS  36           HD3      LYS  36   2.353  -0.258  10.653
  282    HE2  LYS  36           HE2      LYS  36   2.500  -2.591  10.123
  283    HE3  LYS  36           HE3      LYS  36   2.267  -1.712   8.604
  284    HZ1  LYS  36           HZ1      LYS  36   4.833  -2.726   9.651
  285    HZ2  LYS  36           HZ2      LYS  36   3.982  -3.369   8.399
  286    HZ3  LYS  36           HZ3      LYS  36   4.655  -1.882   8.250
  287    H    TYR  37           H        TYR  37   4.160   2.210   6.533
  288    HA   TYR  37           HA       TYR  37   6.936   1.455   6.209
  289    HB2  TYR  37           HB2      TYR  37   4.679   1.874   4.219
  290    HB3  TYR  37           HB3      TYR  37   6.278   1.247   3.797
  291    HD1  TYR  37           HD2      TYR  37   3.199   0.561   5.754
  292    HD2  TYR  37           HD1      TYR  37   6.911  -1.019   4.256
  293    HE1  TYR  37           HE2      TYR  37   2.505  -1.713   6.438
  294    HE2  TYR  37           HE1      TYR  37   6.218  -3.302   4.940
  295    HH   TYR  37           HH       TYR  37   4.596  -4.590   5.918
  296    H    GLY  38           H        GLY  38   5.175   4.457   5.941
  297    HA2  GLY  38           HA2      GLY  38   7.458   6.046   5.859
  298    HA3  GLY  38           HA3      GLY  38   7.021   5.788   4.164
  299    H    ARG  39           H        ARG  39   4.813   6.411   3.467
  300    HA   ARG  39           HA       ARG  39   3.231   8.161   5.183
  301    HB2  ARG  39           HB2      ARG  39   3.534  10.080   3.504
  302    HB3  ARG  39           HB3      ARG  39   4.859   9.802   4.650
  303    HG2  ARG  39           HG2      ARG  39   6.161   8.620   2.969
  304    HG3  ARG  39           HG3      ARG  39   4.812   8.681   1.827
  305    HD2  ARG  39           HD2      ARG  39   6.417  10.380   1.242
  306    HD3  ARG  39           HD3      ARG  39   4.965  11.190   1.860
  307    HE   ARG  39           HE       ARG  39   6.289  11.222   4.099
  308   HH11  ARG  39          HH11      ARG  39   7.766  11.533   0.884
  309   HH12  ARG  39          HH12      ARG  39   9.106  12.479   1.473
  310   HH21  ARG  39          HH21      ARG  39   8.065  12.457   4.823
  311   HH22  ARG  39          HH22      ARG  39   9.287  12.980   3.694
  312    H    VAL  40           H        VAL  40   1.373   9.043   4.009
  313    HA   VAL  40           HA       VAL  40   0.577   7.435   1.630
  314    HB   VAL  40           HB       VAL  40  -1.047   7.903   4.167
  315   HG11  VAL  40          HG11      VAL  40  -1.834   6.599   1.538
  316   HG12  VAL  40          HG12      VAL  40  -2.793   6.544   3.025
  317   HG13  VAL  40          HG13      VAL  40  -2.516   8.096   2.237
  318   HG21  VAL  40          HG21      VAL  40   0.580   6.053   4.372
  319   HG22  VAL  40          HG22      VAL  40  -1.071   5.422   4.281
  320   HG23  VAL  40          HG23      VAL  40  -0.014   5.352   2.850
  321    H    GLY  41           H        GLY  41  -0.566   8.606   0.129
  322    HA2  GLY  41           HA2      GLY  41  -0.841  11.524   0.678
  323    HA3  GLY  41           HA3      GLY  41  -0.717  10.745  -0.922
  324    H    ASP  42           H        ASP  42  -2.634   8.572  -0.140
  325    HA   ASP  42           HA       ASP  42  -5.033   9.872   0.780
  326    HB2  ASP  42           HB2      ASP  42  -4.905  10.615  -1.647
  327    HB3  ASP  42           HB3      ASP  42  -4.958   8.910  -2.121
  328    H    VAL  43           H        VAL  43  -6.827   8.370   0.915
  329    HA   VAL  43           HA       VAL  43  -6.625   5.586   0.235
  330    HB   VAL  43           HB       VAL  43  -5.119   5.303   2.024
  331   HG11  VAL  43          HG11      VAL  43  -6.883   7.013   3.817
  332   HG12  VAL  43          HG12      VAL  43  -5.410   6.123   4.279
  333   HG13  VAL  43          HG13      VAL  43  -5.303   7.475   3.135
  334   HG21  VAL  43          HG21      VAL  43  -7.129   3.770   2.014
  335   HG22  VAL  43          HG22      VAL  43  -6.324   3.935   3.592
  336   HG23  VAL  43          HG23      VAL  43  -7.841   4.793   3.283
  337    H    TYR  44           H        TYR  44  -8.732   5.460  -0.455
  338    HA   TYR  44           HA       TYR  44 -10.693   5.706   1.673
  339    HB2  TYR  44           HB2      TYR  44 -11.873   7.491   1.150
  340    HB3  TYR  44           HB3      TYR  44 -10.280   8.063   0.724
  341    HD1  TYR  44           HD1      TYR  44  -9.799   7.292  -2.066
  342    HD2  TYR  44           HD2      TYR  44 -13.489   8.332  -0.079
  343    HE1  TYR  44           HE1      TYR  44 -10.740   8.064  -4.206
  344    HE2  TYR  44           HE2      TYR  44 -14.405   9.153  -2.210
  345    HH   TYR  44           HH       TYR  44 -12.514   9.067  -5.250
  346    H    ILE  45           H        ILE  45 -13.033   5.524   0.678
  347    HA   ILE  45           HA       ILE  45 -12.951   3.165  -1.134
  348    HB   ILE  45           HB       ILE  45 -14.526   3.486   1.439
  349   HG12  ILE  45          HG12      ILE  45 -12.098   1.864   0.599
  350   HG13  ILE  45          HG13      ILE  45 -12.221   3.053   1.908
  351   HG21  ILE  45          HG21      ILE  45 -14.381   1.115  -0.479
  352   HG22  ILE  45          HG22      ILE  45 -15.297   1.210   1.048
  353   HG23  ILE  45          HG23      ILE  45 -15.768   2.215  -0.332
  354   HD11  ILE  45          HD11      ILE  45 -13.495   0.293   1.797
  355   HD12  ILE  45          HD12      ILE  45 -12.203   0.843   2.877
  356   HD13  ILE  45          HD13      ILE  45 -13.852   1.501   3.055
  357    HA   PRO  46           HA       PRO  46 -15.589   6.502  -2.777
  358    HB2  PRO  46           HB2      PRO  46 -15.130   5.977  -5.432
  359    HB3  PRO  46           HB3      PRO  46 -13.947   6.822  -4.383
  360    HG2  PRO  46           HG2      PRO  46 -14.015   3.891  -5.156
  361    HG3  PRO  46           HG3      PRO  46 -12.614   5.014  -5.173
  362    HD2  PRO  46           HD2      PRO  46 -13.069   3.307  -3.117
  363    HD3  PRO  46           HD3      PRO  46 -12.389   4.946  -2.851
  364    H    ARG  47           H        ARG  47 -15.732   3.014  -3.425
  365    HA   ARG  47           HA       ARG  47 -18.007   3.113  -5.128
  366    HB2  ARG  47           HB2      ARG  47 -16.320   1.174  -4.601
  367    HB3  ARG  47           HB3      ARG  47 -17.402   0.803  -3.254
  368    HG2  ARG  47           HG2      ARG  47 -17.965  -0.547  -5.222
  369    HG3  ARG  47           HG3      ARG  47 -19.294   0.570  -4.859
  370    HD2  ARG  47           HD2      ARG  47 -18.788   0.424  -7.288
  371    HD3  ARG  47           HD3      ARG  47 -18.590   2.061  -6.667
  372    HE   ARG  47           HE       ARG  47 -16.343   0.149  -7.223
  373   HH11  ARG  47          HH11      ARG  47 -17.572   3.505  -7.128
  374   HH12  ARG  47          HH12      ARG  47 -16.032   4.140  -7.660
  375   HH21  ARG  47          HH21      ARG  47 -14.391   1.125  -7.972
  376   HH22  ARG  47          HH22      ARG  47 -14.334   2.856  -8.155
  377    H    ASP  48           H        ASP  48 -20.015   3.751  -4.666
  378    HA   ASP  48           HA       ASP  48 -21.534   4.915  -3.440
  379    HB2  ASP  48           HB2      ASP  48 -21.626   2.357  -1.841
  380    HB3  ASP  48           HB3      ASP  48 -22.918   3.569  -2.077
  381    H    ARG  49           H        ARG  49 -19.835   6.343  -2.804
  382    HA   ARG  49           HA       ARG  49 -18.167   6.135  -0.626
  383    HB2  ARG  49           HB2      ARG  49 -17.593   8.381  -1.140
  384    HB3  ARG  49           HB3      ARG  49 -18.147   7.649  -2.676
  385    HG2  ARG  49           HG2      ARG  49 -20.379   8.668  -2.310
  386    HG3  ARG  49           HG3      ARG  49 -19.695   9.523  -0.893
  387    HD2  ARG  49           HD2      ARG  49 -17.896  10.406  -2.449
  388    HD3  ARG  49           HD3      ARG  49 -18.827   9.756  -3.796
  389    HE   ARG  49           HE       ARG  49 -19.592  11.998  -1.991
  390   HH11  ARG  49          HH11      ARG  49 -20.420  10.016  -4.822
  391   HH12  ARG  49          HH12      ARG  49 -21.600  11.164  -5.393
  392   HH21  ARG  49          HH21      ARG  49 -21.140  13.421  -2.743
  393   HH22  ARG  49          HH22      ARG  49 -22.030  13.080  -4.215
  394    H    TYR  50           H        TYR  50 -21.356   6.126  -0.065
  395    HA   TYR  50           HA       TYR  50 -21.070   7.339   2.628
  396    HB2  TYR  50           HB2      TYR  50 -23.423   8.339   2.225
  397    HB3  TYR  50           HB3      TYR  50 -22.029   9.146   1.485
  398    HD1  TYR  50           HD1      TYR  50 -24.864   6.829   0.769
  399    HD2  TYR  50           HD2      TYR  50 -21.790   9.362  -0.815
  400    HE1  TYR  50           HE1      TYR  50 -25.689   6.376  -1.519
  401    HE2  TYR  50           HE2      TYR  50 -22.532   8.895  -3.116
  402    HH   TYR  50           HH       TYR  50 -25.403   6.795  -3.774
  403    H    THR  51           H        THR  51 -21.697   4.665   0.859
  404    HA   THR  51           HA       THR  51 -23.500   3.607   2.990
  405    HB   THR  51           HB       THR  51 -24.651   2.228   1.522
  406   HG21  THR  51          HG21      THR  51 -24.055   4.604  -0.273
  407   HG22  THR  51          HG22      THR  51 -25.494   3.572  -0.307
  408   HG23  THR  51          HG23      THR  51 -25.217   4.638   1.089
  409    H    LYS  52           H        LYS  52 -20.886   3.096   0.698
  410    HA   LYS  52           HA       LYS  52 -19.166   1.727   0.533
  411    HB2  LYS  52           HB2      LYS  52 -19.015   2.006   3.550
  412    HB3  LYS  52           HB3      LYS  52 -17.670   1.818   2.414
  413    HG2  LYS  52           HG2      LYS  52 -17.500   4.069   2.319
  414    HG3  LYS  52           HG3      LYS  52 -19.072   4.109   1.515
  415    HD2  LYS  52           HD2      LYS  52 -19.149   5.584   3.435
  416    HD3  LYS  52           HD3      LYS  52 -20.199   4.191   3.722
  417    HE2  LYS  52           HE2      LYS  52 -18.948   4.671   5.743
  418    HE3  LYS  52           HE3      LYS  52 -18.382   3.134   5.076
  419    HZ1  LYS  52           HZ1      LYS  52 -17.058   5.744   4.749
  420    HZ2  LYS  52           HZ2      LYS  52 -16.563   4.539   5.750
  421    HZ3  LYS  52           HZ3      LYS  52 -16.518   4.319   4.123
  422    H    GLU  53           H        GLU  53 -21.735   0.272   0.998
  423    HA   GLU  53           HA       GLU  53 -21.386  -1.820   2.895
  424    HB2  GLU  53           HB2      GLU  53 -23.080  -1.777   0.368
  425    HB3  GLU  53           HB3      GLU  53 -23.310  -2.831   1.788
  426    HG2  GLU  53           HG2      GLU  53 -23.609  -0.749   3.171
  427    HG3  GLU  53           HG3      GLU  53 -23.527   0.189   1.666
  428    H    SER  54           H        SER  54 -20.105  -1.402  -0.308
  429    HA   SER  54           HA       SER  54 -19.712  -4.230  -0.893
  430    HB2  SER  54           HB2      SER  54 -19.969  -2.529  -2.633
  431    HB3  SER  54           HB3      SER  54 -18.514  -1.693  -2.063
  432    HG   SER  54           HG       SER  54 -18.113  -3.134  -3.829
  433    H    ARG  55           H        ARG  55 -17.598  -1.525   0.096
  434    HA   ARG  55           HA       ARG  55 -15.434  -1.431   0.732
  435    HB2  ARG  55           HB2      ARG  55 -17.067  -1.951   2.723
  436    HB3  ARG  55           HB3      ARG  55 -16.177  -3.485   2.810
  437    HG2  ARG  55           HG2      ARG  55 -14.026  -2.078   2.870
  438    HG3  ARG  55           HG3      ARG  55 -15.063  -0.657   3.024
  439    HD2  ARG  55           HD2      ARG  55 -14.975  -3.029   4.934
  440    HD3  ARG  55           HD3      ARG  55 -14.249  -1.434   5.206
  441    HE   ARG  55           HE       ARG  55 -17.055  -1.187   4.655
  442   HH11  ARG  55          HH11      ARG  55 -14.743  -2.116   7.156
  443   HH12  ARG  55          HH12      ARG  55 -15.822  -1.725   8.473
  444   HH21  ARG  55          HH21      ARG  55 -18.466  -0.705   6.388
  445   HH22  ARG  55          HH22      ARG  55 -17.936  -0.919   8.038
  446    H    GLY  56           H        GLY  56 -15.611  -3.477  -1.376
  447    HA2  GLY  56           HA2      GLY  56 -14.029  -5.755  -0.556
  448    HA3  GLY  56           HA3      GLY  56 -14.390  -5.239  -2.218
  449    H    PHE  57           H        PHE  57 -13.175  -2.473  -1.032
  450    HA   PHE  57           HA       PHE  57 -10.339  -3.073  -0.963
  451    HB2  PHE  57           HB2      PHE  57  -9.770  -2.032  -3.062
  452    HB3  PHE  57           HB3      PHE  57 -10.855  -3.385  -3.371
  453    HD1  PHE  57           HD1      PHE  57 -13.489  -2.669  -3.456
  454    HD2  PHE  57           HD2      PHE  57 -10.142  -0.052  -4.174
  455    HE1  PHE  57           HE1      PHE  57 -14.934  -1.182  -4.781
  456    HE2  PHE  57           HE2      PHE  57 -11.604   1.448  -5.496
  457    HZ   PHE  57           HZ       PHE  57 -14.008   0.900  -5.783
  458    H    ALA  58           H        ALA  58  -9.051  -1.042  -1.019
  459    HA   ALA  58           HA       ALA  58 -10.458   1.492  -0.656
  460    HB1  ALA  58           HB1      ALA  58  -8.587   0.385   1.482
  461    HB2  ALA  58           HB2      ALA  58  -9.336   1.994   1.466
  462    HB3  ALA  58           HB3      ALA  58 -10.357   0.549   1.656
  463    H    PHE  59           H        PHE  59  -9.490   2.461  -2.300
  464    HA   PHE  59           HA       PHE  59  -6.839   1.847  -3.260
  465    HB2  PHE  59           HB2      PHE  59  -8.647   2.532  -4.741
  466    HB3  PHE  59           HB3      PHE  59  -8.846   4.041  -3.861
  467    HD1  PHE  59           HD2      PHE  59  -6.686   2.229  -6.315
  468    HD2  PHE  59           HD1      PHE  59  -7.413   5.923  -4.207
  469    HE1  PHE  59           HE2      PHE  59  -5.083   3.394  -7.780
  470    HE2  PHE  59           HE1      PHE  59  -5.878   7.089  -5.728
  471    HZ   PHE  59           HZ       PHE  59  -4.646   5.806  -7.487
  472    H    VAL  60           H        VAL  60  -5.412   2.086  -1.613
  473    HA   VAL  60           HA       VAL  60  -4.954   4.721  -0.400
  474    HB   VAL  60           HB       VAL  60  -3.242   2.203  -0.507
  475   HG11  VAL  60          HG11      VAL  60  -2.153   3.178   1.521
  476   HG12  VAL  60          HG12      VAL  60  -1.846   4.125   0.061
  477   HG13  VAL  60          HG13      VAL  60  -3.056   4.686   1.245
  478   HG21  VAL  60          HG21      VAL  60  -4.053   1.877   1.818
  479   HG22  VAL  60          HG22      VAL  60  -5.113   3.288   1.636
  480   HG23  VAL  60          HG23      VAL  60  -5.409   1.843   0.649
  481    H    ARG  61           H        ARG  61  -2.895   5.876  -0.819
  482    HA   ARG  61           HA       ARG  61  -1.651   5.329  -3.447
  483    HB2  ARG  61           HB2      ARG  61  -3.632   6.920  -3.673
  484    HB3  ARG  61           HB3      ARG  61  -2.714   8.074  -2.696
  485    HG2  ARG  61           HG2      ARG  61  -0.859   7.964  -4.382
  486    HG3  ARG  61           HG3      ARG  61  -1.834   6.806  -5.322
  487    HD2  ARG  61           HD2      ARG  61  -3.682   8.626  -5.224
  488    HD3  ARG  61           HD3      ARG  61  -2.378   9.737  -4.771
  489    HE   ARG  61           HE       ARG  61  -1.244   8.968  -6.932
  490   HH11  ARG  61          HH11      ARG  61  -4.757   8.972  -6.525
  491   HH12  ARG  61          HH12      ARG  61  -5.070   8.947  -8.242
  492   HH21  ARG  61          HH21      ARG  61  -1.689   8.971  -9.165
  493   HH22  ARG  61          HH22      ARG  61  -3.350   8.965  -9.729
  494    H    PHE  62           H        PHE  62   0.533   5.727  -3.402
  495    HA   PHE  62           HA       PHE  62   1.710   7.134  -1.035
  496    HB2  PHE  62           HB2      PHE  62   2.582   4.788  -2.719
  497    HB3  PHE  62           HB3      PHE  62   3.733   5.737  -1.783
  498    HD1  PHE  62           HD2      PHE  62   0.431   3.996  -1.220
  499    HD2  PHE  62           HD1      PHE  62   4.355   4.934   0.261
  500    HE1  PHE  62           HE2      PHE  62   0.023   2.559   0.761
  501    HE2  PHE  62           HE1      PHE  62   3.967   3.469   2.223
  502    HZ   PHE  62           HZ       PHE  62   1.835   2.248   2.454
  503    H    HIS  63           H        HIS  63   3.488   8.481  -1.423
  504    HA   HIS  63           HA       HIS  63   3.436   9.672  -4.135
  505    HB2  HIS  63           HB2      HIS  63   4.987  11.152  -2.202
  506    HB3  HIS  63           HB3      HIS  63   3.553  11.633  -3.089
  507    HD2  HIS  63           HD2      HIS  63   4.010   9.292   0.103
  508    HE1  HIS  63           HE1      HIS  63   1.054  12.220   0.934
  509    HE2  HIS  63           HE2      HIS  63   2.320  10.217   1.843
  510    H    ASP  64           H        ASP  64   5.612   7.991  -1.935
  511    HA   ASP  64           HA       ASP  64   7.926   8.823  -3.634
  512    HB2  ASP  64           HB2      ASP  64   7.558   8.240  -0.697
  513    HB3  ASP  64           HB3      ASP  64   9.151   8.058  -1.459
  514    H    LYS  65           H        LYS  65   9.139   7.337  -4.582
  515    HA   LYS  65           HA       LYS  65   8.028   4.799  -5.114
  516    HB2  LYS  65           HB2      LYS  65   9.429   5.956  -6.702
  517    HB3  LYS  65           HB3      LYS  65  10.766   6.017  -5.561
  518    HG2  LYS  65           HG2      LYS  65  11.128   4.308  -7.294
  519    HG3  LYS  65           HG3      LYS  65  11.069   3.594  -5.682
  520    HD2  LYS  65           HD2      LYS  65   9.836   2.218  -7.303
  521    HD3  LYS  65           HD3      LYS  65   8.751   2.842  -6.065
  522    HE2  LYS  65           HE2      LYS  65   7.684   3.035  -8.228
  523    HE3  LYS  65           HE3      LYS  65   8.028   4.652  -7.609
  524    HZ1  LYS  65           HZ1      LYS  65   9.978   4.711  -9.017
  525    HZ2  LYS  65           HZ2      LYS  65   9.666   3.204  -9.582
  526    HZ3  LYS  65           HZ3      LYS  65   8.632   4.434  -9.921
  527    H    ARG  66           H        ARG  66  10.763   5.687  -2.897
  528    HA   ARG  66           HA       ARG  66  11.470   2.964  -2.457
  529    HB2  ARG  66           HB2      ARG  66  12.897   3.795  -0.686
  530    HB3  ARG  66           HB3      ARG  66  12.979   4.816  -2.118
  531    HG2  ARG  66           HG2      ARG  66  12.894   6.419  -0.484
  532    HG3  ARG  66           HG3      ARG  66  11.183   6.282  -0.895
  533    HD2  ARG  66           HD2      ARG  66  11.422   6.337   1.519
  534    HD3  ARG  66           HD3      ARG  66  10.915   4.703   1.069
  535    HE   ARG  66           HE       ARG  66  13.793   4.915   1.203
  536   HH11  ARG  66          HH11      ARG  66  10.886   4.663   3.194
  537   HH12  ARG  66          HH12      ARG  66  11.709   3.898   4.529
  538   HH21  ARG  66          HH21      ARG  66  14.859   3.908   2.959
  539   HH22  ARG  66          HH22      ARG  66  13.959   3.481   4.394
  540    H    ASP  67           H        ASP  67   9.066   5.043  -0.872
  541    HA   ASP  67           HA       ASP  67   8.632   3.114   1.293
  542    HB2  ASP  67           HB2      ASP  67   7.020   5.529   0.391
  543    HB3  ASP  67           HB3      ASP  67   6.781   4.632   1.898
  544    H    ALA  68           H        ALA  68   7.466   3.732  -1.946
  545    HA   ALA  68           HA       ALA  68   4.926   2.365  -1.717
  546    HB1  ALA  68           HB1      ALA  68   6.714   3.418  -3.929
  547    HB2  ALA  68           HB2      ALA  68   5.208   2.588  -4.283
  548    HB3  ALA  68           HB3      ALA  68   5.173   4.113  -3.340
  549    H    GLU  69           H        GLU  69   8.180   1.595  -3.123
  550    HA   GLU  69           HA       GLU  69   7.236  -0.996  -3.979
  551    HB2  GLU  69           HB2      GLU  69   9.535  -1.433  -4.634
  552    HB3  GLU  69           HB3      GLU  69   9.020   0.165  -5.198
  553    HG2  GLU  69           HG2      GLU  69  10.299   1.262  -3.439
  554    HG3  GLU  69           HG3      GLU  69  10.583  -0.271  -2.622
  555    H    ASP  70           H        ASP  70   8.749   0.242  -0.997
  556    HA   ASP  70           HA       ASP  70   9.481  -2.388  -0.063
  557    HB2  ASP  70           HB2      ASP  70  10.430  -0.258   0.801
  558    HB3  ASP  70           HB3      ASP  70   8.853   0.153   1.504
  559    H    ALA  71           H        ALA  71   6.528  -0.343   0.227
  560    HA   ALA  71           HA       ALA  71   5.269  -2.043   2.150
  561    HB1  ALA  71           HB1      ALA  71   3.221  -0.802   1.529
  562    HB2  ALA  71           HB2      ALA  71   4.596   0.304   1.726
  563    HB3  ALA  71           HB3      ALA  71   4.047  -0.147   0.098
  564    H    MET  72           H        MET  72   5.430  -2.189  -1.430
  565    HA   MET  72           HA       MET  72   3.315  -4.198  -1.494
  566    HB2  MET  72           HB2      MET  72   3.450  -4.118  -3.760
  567    HB3  MET  72           HB3      MET  72   4.116  -2.529  -3.366
  568    HG2  MET  72           HG2      MET  72   6.399  -3.432  -3.677
  569    HG3  MET  72           HG3      MET  72   5.722  -5.038  -3.983
  570    HE1  MET  72           HE1      MET  72   6.596  -1.551  -5.637
  571    HE2  MET  72           HE2      MET  72   5.215  -1.379  -6.736
  572    HE3  MET  72           HE3      MET  72   4.948  -1.418  -4.974
  573    H    ASP  73           H        ASP  73   6.850  -4.101  -1.518
  574    HA   ASP  73           HA       ASP  73   7.190  -6.956  -1.862
  575    HB2  ASP  73           HB2      ASP  73   8.821  -5.216  -2.592
  576    HB3  ASP  73           HB3      ASP  73   9.135  -4.830  -0.894
  577    H    ALA  74           H        ALA  74   5.951  -5.260   0.770
  578    HA   ALA  74           HA       ALA  74   7.124  -7.237   2.658
  579    HB1  ALA  74           HB1      ALA  74   6.523  -4.310   3.118
  580    HB2  ALA  74           HB2      ALA  74   7.133  -5.443   4.349
  581    HB3  ALA  74           HB3      ALA  74   8.148  -5.021   2.941
  582    H    MET  75           H        MET  75   4.226  -6.071   1.275
  583    HA   MET  75           HA       MET  75   2.811  -7.445   3.510
  584    HB2  MET  75           HB2      MET  75   2.732  -4.769   3.418
  585    HB3  MET  75           HB3      MET  75   1.433  -5.132   2.241
  586    HG2  MET  75           HG2      MET  75   0.552  -6.790   3.986
  587    HG3  MET  75           HG3      MET  75   1.675  -6.035   5.118
  588    HE1  MET  75           HE1      MET  75   0.318  -2.320   5.163
  589    HE2  MET  75           HE2      MET  75   1.526  -3.454   5.814
  590    HE3  MET  75           HE3      MET  75   1.553  -3.008   4.089
  591    H    ASP  76           H        ASP  76   2.845  -6.759  -0.016
  592    HA   ASP  76           HA       ASP  76   0.189  -7.741  -0.400
  593    HB2  ASP  76           HB2      ASP  76   1.030  -6.619  -2.246
  594    HB3  ASP  76           HB3      ASP  76   2.597  -7.419  -2.191
  595    H    GLY  77           H        GLY  77  -0.651  -9.694  -0.666
  596    HA2  GLY  77           HA2      GLY  77  -0.845 -11.996  -0.762
  597    HA3  GLY  77           HA3      GLY  77   0.888 -12.102  -1.106
  598    H    ALA  78           H        ALA  78   0.119 -10.339   1.789
  599    HA   ALA  78           HA       ALA  78   1.355 -12.455   3.393
  600    HB1  ALA  78           HB1      ALA  78   0.306  -9.679   4.136
  601    HB2  ALA  78           HB2      ALA  78   1.283 -10.733   5.185
  602    HB3  ALA  78           HB3      ALA  78   1.990 -10.068   3.701
  603    H    VAL  79           H        VAL  79  -1.034 -13.248   2.284
  604    HA   VAL  79           HA       VAL  79  -3.324 -12.598   3.862
  605    HB   VAL  79           HB       VAL  79  -3.216 -13.156   1.423
  606   HG11  VAL  79          HG11      VAL  79  -1.810 -15.206   1.600
  607   HG12  VAL  79          HG12      VAL  79  -3.169 -16.047   2.391
  608   HG13  VAL  79          HG13      VAL  79  -3.325 -15.481   0.719
  609   HG21  VAL  79          HG21      VAL  79  -5.273 -12.921   2.563
  610   HG22  VAL  79          HG22      VAL  79  -5.238 -14.045   1.192
  611   HG23  VAL  79          HG23      VAL  79  -5.325 -14.707   2.844
  612    H    LEU  80           H        LEU  80  -4.851 -14.410   4.403
  613    HA   LEU  80           HA       LEU  80  -3.589 -16.731   5.655
  614    HB2  LEU  80           HB2      LEU  80  -4.011 -16.319   7.884
  615    HB3  LEU  80           HB3      LEU  80  -3.470 -14.743   7.313
  616    HG   LEU  80           HG       LEU  80  -6.351 -15.620   7.816
  617   HD11  LEU  80          HD11      LEU  80  -4.553 -13.619   9.230
  618   HD12  LEU  80          HD12      LEU  80  -6.246 -13.975   9.634
  619   HD13  LEU  80          HD13      LEU  80  -5.004 -15.228   9.845
  620   HD21  LEU  80          HD21      LEU  80  -6.287 -13.987   5.957
  621   HD22  LEU  80          HD22      LEU  80  -6.954 -13.263   7.435
  622   HD23  LEU  80          HD23      LEU  80  -5.279 -12.903   6.961
  623    H    ASP  81           H        ASP  81  -6.176 -15.495   3.970
  624    HA   ASP  81           HA       ASP  81  -7.779 -17.869   4.668
  625    HB2  ASP  81           HB2      ASP  81  -8.524 -15.960   6.117
  626    HB3  ASP  81           HB3      ASP  81  -8.908 -15.040   4.656
  627    H    GLY  82           H        GLY  82  -6.374 -16.017   2.274
  628    HA2  GLY  82           HA2      GLY  82  -6.727 -17.179   0.068
  629    HA3  GLY  82           HA3      GLY  82  -8.459 -16.861   0.294
  630    H    ARG  83           H        ARG  83  -7.584 -14.187   1.633
  631    HA   ARG  83           HA       ARG  83  -6.179 -12.692  -0.351
  632    HB2  ARG  83           HB2      ARG  83  -7.898 -11.358  -1.308
  633    HB3  ARG  83           HB3      ARG  83  -8.494 -13.004  -1.412
  634    HG2  ARG  83           HG2      ARG  83 -10.340 -12.070  -0.567
  635    HG3  ARG  83           HG3      ARG  83  -9.505 -12.377   0.980
  636    HD2  ARG  83           HD2      ARG  83  -8.928 -10.066   1.219
  637    HD3  ARG  83           HD3      ARG  83  -9.205  -9.747  -0.500
  638    HE   ARG  83           HE       ARG  83 -11.372 -10.326   1.476
  639   HH11  ARG  83          HH21      ARG  83 -10.210  -8.708  -1.464
  640   HH12  ARG  83          HH22      ARG  83 -11.709  -7.858  -1.714
  641   HH21  ARG  83          HH11      ARG  83 -13.330  -9.242   1.074
  642   HH22  ARG  83          HH12      ARG  83 -13.468  -8.163  -0.290
  643    H    GLU  84           H        GLU  84  -5.319 -10.941   0.668
  644    HA   GLU  84           HA       GLU  84  -6.721  -9.884   3.045
  645    HB2  GLU  84           HB2      GLU  84  -3.979 -11.050   3.017
  646    HB3  GLU  84           HB3      GLU  84  -4.298  -9.647   4.041
  647    HG2  GLU  84           HG2      GLU  84  -5.999 -12.153   4.202
  648    HG3  GLU  84           HG3      GLU  84  -4.599 -11.834   5.222
  649    H    LEU  85           H        LEU  85  -4.029  -9.777   0.735
  650    HA   LEU  85           HA       LEU  85  -4.228  -6.809   0.488
  651    HB2  LEU  85           HB2      LEU  85  -1.715  -8.470   0.989
  652    HB3  LEU  85           HB3      LEU  85  -1.676  -6.909   0.195
  653    HG   LEU  85           HG       LEU  85  -1.029  -6.478   2.363
  654   HD11  LEU  85          HD11      LEU  85  -2.686  -4.906   1.398
  655   HD12  LEU  85          HD12      LEU  85  -3.979  -5.755   2.282
  656   HD13  LEU  85          HD13      LEU  85  -2.693  -4.928   3.179
  657   HD21  LEU  85          HD21      LEU  85  -1.908  -8.619   3.336
  658   HD22  LEU  85          HD22      LEU  85  -2.089  -7.184   4.371
  659   HD23  LEU  85          HD23      LEU  85  -3.497  -7.822   3.499
  660    H    ARG  86           H        ARG  86  -3.718  -5.976  -1.444
  661    HA   ARG  86           HA       ARG  86  -2.219  -7.441  -3.476
  662    HB2  ARG  86           HB2      ARG  86  -5.092  -6.521  -3.901
  663    HB3  ARG  86           HB3      ARG  86  -3.946  -6.684  -5.229
  664    HG2  ARG  86           HG2      ARG  86  -4.820  -8.927  -3.369
  665    HG3  ARG  86           HG3      ARG  86  -5.394  -8.661  -5.018
  666    HD2  ARG  86           HD2      ARG  86  -2.497  -9.244  -4.265
  667    HD3  ARG  86           HD3      ARG  86  -3.655 -10.415  -4.909
  668    HE   ARG  86           HE       ARG  86  -3.821  -8.955  -6.939
  669   HH11  ARG  86          HH11      ARG  86  -0.881  -8.826  -4.940
  670   HH12  ARG  86          HH12      ARG  86   0.122  -8.338  -6.281
  671   HH21  ARG  86          HH21      ARG  86  -2.471  -8.297  -8.628
  672   HH22  ARG  86          HH22      ARG  86  -0.768  -8.010  -8.345
  673    H    VAL  87           H        VAL  87  -0.620  -5.968  -3.635
  674    HA   VAL  87           HA       VAL  87  -1.417  -3.163  -4.219
  675    HB   VAL  87           HB       VAL  87  -0.865  -2.956  -1.968
  676   HG11  VAL  87          HG11      VAL  87   1.556  -4.689  -2.423
  677   HG12  VAL  87          HG12      VAL  87   1.200  -3.771  -0.934
  678   HG13  VAL  87          HG13      VAL  87   0.093  -5.049  -1.430
  679   HG21  VAL  87          HG21      VAL  87   0.312  -1.333  -3.490
  680   HG22  VAL  87          HG22      VAL  87   1.165  -1.613  -1.953
  681   HG23  VAL  87          HG23      VAL  87   1.746  -2.380  -3.442
  682    H    GLN  88           H        GLN  88  -0.430  -2.213  -5.792
  683    HA   GLN  88           HA       GLN  88   2.238  -2.774  -6.734
  684    HB2  GLN  88           HB2      GLN  88   0.640  -4.678  -7.667
  685    HB3  GLN  88           HB3      GLN  88   0.064  -3.379  -8.736
  686    HG2  GLN  88           HG2      GLN  88   2.422  -3.010  -9.485
  687    HG3  GLN  88           HG3      GLN  88   2.941  -4.332  -8.424
  688   HE21  GLN  88          HE22      GLN  88   3.110  -6.302  -9.372
  689   HE22  GLN  88          HE21      GLN  88   2.266  -6.804 -10.826
  690    H    MET  89           H        MET  89   2.591  -1.471  -8.759
  691    HA   MET  89           HA       MET  89   1.953   1.225  -8.190
  692    HB2  MET  89           HB2      MET  89   3.101  -0.175 -10.630
  693    HB3  MET  89           HB3      MET  89   3.138   1.586 -10.386
  694    HG2  MET  89           HG2      MET  89   4.134  -0.261  -8.200
  695    HG3  MET  89           HG3      MET  89   5.169   0.071  -9.564
  696    HE1  MET  89           HE1      MET  89   6.800   0.799  -7.514
  697    HE2  MET  89           HE2      MET  89   6.499   2.206  -6.460
  698    HE3  MET  89           HE3      MET  89   5.515   0.742  -6.280
  699    H    ALA  90           H        ALA  90   0.560   2.683  -9.103
  700    HA   ALA  90           HA       ALA  90  -1.933   1.723 -10.128
  701    HB1  ALA  90           HB1      ALA  90  -2.462   4.116 -10.366
  702    HB2  ALA  90           HB2      ALA  90  -1.731   3.764  -8.790
  703    HB3  ALA  90           HB3      ALA  90  -0.751   4.520 -10.061
  704    H    ARG  91           H        ARG  91  -2.897   2.126 -12.172
  705    HA   ARG  91           HA       ARG  91  -1.140   2.992 -14.402
  706    HB2  ARG  91           HB2      ARG  91  -2.826   0.453 -14.411
  707    HB3  ARG  91           HB3      ARG  91  -2.013   1.149 -15.815
  708    HG2  ARG  91           HG2      ARG  91   0.189   0.857 -14.710
  709    HG3  ARG  91           HG3      ARG  91  -0.624   0.138 -13.298
  710    HD2  ARG  91           HD2      ARG  91  -1.580  -1.626 -14.771
  711    HD3  ARG  91           HD3      ARG  91  -0.733  -0.914 -16.152
  712    HE   ARG  91           HE       ARG  91   1.270  -1.829 -15.419
  713   HH11  ARG  91          HH11      ARG  91  -1.128  -2.080 -12.832
  714   HH12  ARG  91          HH12      ARG  91  -0.177  -3.230 -11.912
  715   HH21  ARG  91          HH21      ARG  91   2.498  -3.309 -14.167
  716   HH22  ARG  91          HH22      ARG  91   1.844  -3.888 -12.647
  717    H    TYR  92           H        TYR  92  -3.692   3.682 -12.631
  718    HA   TYR  92           HA       TYR  92  -5.309   4.709 -14.915
  719    HB2  TYR  92           HB2      TYR  92  -6.362   3.589 -12.321
  720    HB3  TYR  92           HB3      TYR  92  -7.335   4.279 -13.629
  721    HD1  TYR  92           HD2      TYR  92  -6.043   2.924 -16.011
  722    HD2  TYR  92           HD1      TYR  92  -7.168   1.435 -12.141
  723    HE1  TYR  92           HE2      TYR  92  -6.267   0.645 -16.958
  724    HE2  TYR  92           HE1      TYR  92  -7.368  -0.852 -13.062
  725    HH   TYR  92           HH       TYR  92  -7.215  -2.171 -14.958
  726    H    GLY  93           H        GLY  93  -6.823   6.533 -14.037
  727    HA2  GLY  93           HA2      GLY  93  -5.265   8.178 -12.082
  728    HA3  GLY  93           HA3      GLY  93  -5.830   8.818 -13.630
  729    H    ARG  94           H        ARG  94  -6.664  10.329 -11.767
  730    HA   ARG  94           HA       ARG  94  -8.869   9.649 -10.168
  731    HB2  ARG  94           HB2      ARG  94  -8.066  12.256 -11.514
  732    HB3  ARG  94           HB3      ARG  94  -9.361  12.138 -10.313
  733    HG2  ARG  94           HG2      ARG  94  -7.826  11.317  -8.617
  734    HG3  ARG  94           HG3      ARG  94  -6.494  11.229  -9.781
  735    HD2  ARG  94           HD2      ARG  94  -7.936  13.803  -9.039
  736    HD3  ARG  94           HD3      ARG  94  -6.421  13.244  -8.301
  737    HE   ARG  94           HE       ARG  94  -6.366  13.410 -11.230
  738   HH11  ARG  94          HH11      ARG  94  -5.811  15.171  -8.209
  739   HH12  ARG  94          HH12      ARG  94  -4.626  16.239  -8.925
  740   HH21  ARG  94          HH21      ARG  94  -4.842  14.832 -12.126
  741   HH22  ARG  94          HH22      ARG  94  -4.065  16.033 -11.115
  742    HA   PRO  95           HA       PRO  95 -12.092   8.947 -13.024
  743    HB2  PRO  95           HB2      PRO  95 -14.306   9.512 -11.528
  744    HB3  PRO  95           HB3      PRO  95 -13.262   8.084 -11.240
  745    HG2  PRO  95           HG2      PRO  95 -13.202  10.757  -9.810
  746    HG3  PRO  95           HG3      PRO  95 -13.198   9.126  -9.082
  747    HD2  PRO  95           HD2      PRO  95 -10.878  10.487  -9.444
  748    HD3  PRO  95           HD3      PRO  95 -10.956   8.725  -9.737
  749    HA   PRO  96           HA       PRO  96 -13.194  12.939 -14.747
  750    HB2  PRO  96           HB2      PRO  96 -14.719  12.111 -16.829
  751    HB3  PRO  96           HB3      PRO  96 -12.963  11.724 -16.747
  752    HG2  PRO  96           HG2      PRO  96 -15.314   9.970 -15.951
  753    HG3  PRO  96           HG3      PRO  96 -13.925   9.539 -17.000
  754    HD2  PRO  96           HD2      PRO  96 -14.013   8.957 -14.310
  755    HD3  PRO  96           HD3      PRO  96 -12.482   9.347 -15.155
  756    H    ASP  97           H        ASP  97 -15.570  10.588 -13.657
  757    HA   ASP  97           HA       ASP  97 -17.495  12.712 -12.965
  758    HB2  ASP  97           HB2      ASP  97 -18.094  11.976 -15.270
  759    HB3  ASP  97           HB3      ASP  97 -18.211  10.305 -14.685
  760    H    SER  98           H        SER  98 -19.306  11.684 -11.553
  761    HA   SER  98           HA       SER  98 -17.845  10.174  -9.587
  762    HB2  SER  98           HB2      SER  98 -19.943  10.369  -8.242
  763    HB3  SER  98           HB3      SER  98 -19.347  11.924  -8.854
  764    HG   SER  98           HG       SER  98 -21.602  11.639  -9.173
  765    H    HIS  99           H        HIS  99 -20.435   9.290 -11.923
  766    HA   HIS  99           HA       HIS  99 -19.980   6.505 -11.341
  767    HB2  HIS  99           HB2      HIS  99 -21.252   7.285  -9.315
  768    HB3  HIS  99           HB3      HIS  99 -22.610   7.691 -10.381
  769    HD2  HIS  99           HD2      HIS  99 -20.371   4.506  -9.920
  770    HE1  HIS  99           HE1      HIS  99 -24.435   3.251  -9.924
  771    HE2  HIS  99           HE2      HIS  99 -22.018   2.468  -9.765
  772    H    HIS 100           H        HIS 100 -20.656   8.735 -13.557
  773    HA   HIS 100           HA       HIS 100 -22.242   6.858 -15.206
  774    HB2  HIS 100           HB2      HIS 100 -23.801   8.459 -14.125
  775    HB3  HIS 100           HB3      HIS 100 -22.895   9.802 -14.837
  776    HD2  HIS 100           HD2      HIS 100 -24.469  10.772 -16.641
  777    HE1  HIS 100           HE1      HIS 100 -25.630   7.181 -18.605
  778    HE2  HIS 100           HE2      HIS 100 -25.781   9.719 -18.648
  779    H    SER 101           H        SER 101 -22.352   7.801 -17.547
  780    HA   SER 101           HA       SER 101 -19.923   9.290 -18.318
  781    HB2  SER 101           HB2      SER 101 -20.578   6.475 -19.305
  782    HB3  SER 101           HB3      SER 101 -19.307   7.532 -19.949
  783    HG   SER 101           HG       SER 101 -18.514   6.051 -18.392
  784    H5'    U 102           H5'        U 102 -12.668  -3.916 -11.943
  785   H5''    U 102          H5''        U 102 -12.151  -5.505 -11.357
  786    H4'    U 102           H4'        U 102 -11.036  -3.818 -10.054
  787    H3'    U 102           H3'        U 102 -12.430  -5.851  -8.841
  788    H2'    U 102           H2'        U 102 -14.458  -4.702  -8.486
  789   HO2'    U 102          HO2'        U 102 -12.772  -4.063  -6.295
  790    H1'    U 102           H1'        U 102 -13.122  -2.122  -7.761
  791    H3     U 102           H3         U 102 -16.839  -0.888 -11.105
  792    H5     U 102           H5         U 102 -17.904  -2.209  -7.265
  793    H6     U 102           H6         U 102 -15.601  -2.891  -6.927
  794   HO5'    U 102          HO5'        U 102 -14.416  -5.390 -11.671
  795    H5'    G 103           H5'        G 103  -8.476  -2.778  -6.482
  796   H5''    G 103          H5''        G 103 -10.174  -2.348  -6.736
  797    H4'    G 103           H4'        G 103  -8.840  -0.347  -6.784
  798    H3'    G 103           H3'        G 103 -10.314  -1.165  -9.201
  799    H2'    G 103           H2'        G 103  -8.584  -0.658 -10.576
  800   HO2'    G 103          HO2'        G 103  -9.960   1.328 -10.545
  801    H1'    G 103           H1'        G 103  -7.442   1.065  -8.358
  802    H8     G 103           H8         G 103  -5.722   2.242  -9.833
  803    H1     G 103           H1         G 103  -3.692  -3.304 -12.358
  804    H21    G 103           H21        G 103  -5.100  -4.948 -11.746
  805    H22    G 103           H22        G 103  -6.477  -4.633 -10.716
  806    H5'    G 104           H5'        G 104 -11.888   3.933  -9.660
  807   H5''    G 104          H5''        G 104 -10.362   3.542  -8.842
  808    H4'    G 104           H4'        G 104 -12.560   4.724  -7.171
  809    H3'    G 104           H3'        G 104 -10.831   6.326  -9.070
  810    H2'    G 104           H2'        G 104 -11.187   8.160  -7.605
  811   HO2'    G 104          HO2'        G 104 -13.424   7.557  -7.020
  812    H1'    G 104           H1'        G 104 -10.493   6.631  -5.469
  813    H8     G 104           H8         G 104  -8.839   8.716  -5.822
  814    H1     G 104           H1         G 104  -5.893   5.523 -10.548
  815    H21    G 104           H21        G 104  -6.979   3.607 -10.929
  816    H22    G 104           H22        G 104  -8.425   3.182 -10.048
  817    H5'    A 105           H5'        A 105 -16.577   8.011  -9.158
  818   H5''    A 105          H5''        A 105 -15.137   8.870  -9.660
  819    H4'    A 105           H4'        A 105 -15.911  10.610  -8.436
  820    H3'    A 105           H3'        A 105 -14.319   9.309  -6.700
  821    H2'    A 105           H2'        A 105 -15.788   7.866  -5.725
  822   HO2'    A 105          HO2'        A 105 -15.226   9.410  -4.060
  823    H1'    A 105           H1'        A 105 -18.200   9.576  -5.686
  824    H8     A 105           H8         A 105 -16.609   6.410  -7.262
  825    H61    A 105           H61        A 105 -22.149   3.796  -6.230
  826    H62    A 105           H62        A 105 -20.549   3.523  -6.906
  827    H2     A 105           H2         A 105 -22.356   8.021  -4.959
  828    H5'    G 106           H5'        G 106 -17.606  13.755  -3.805
  829   H5''    G 106          H5''        G 106 -15.852  13.904  -3.752
  830    H4'    G 106           H4'        G 106 -17.648  12.383  -1.835
  831    H3'    G 106           H3'        G 106 -16.934  15.011  -1.864
  832    H2'    G 106           H2'        G 106 -14.633  14.881  -2.132
  833   HO2'    G 106          HO2'        G 106 -15.239  14.530   0.605
  834    H1'    G 106           H1'        G 106 -14.067  12.587  -0.435
  835    H8     G 106           H8         G 106 -14.249  13.242  -4.329
  836    H1     G 106           H1         G 106  -8.844  10.657  -2.040
  837    H21    G 106           H21        G 106  -8.997  10.384   0.140
  838    H22    G 106           H22        G 106 -10.443  10.810   1.032
  839    H5'    U 107           H5'        U 107 -20.362  16.189  -1.491
  840   H5''    U 107          H5''        U 107 -18.894  15.543  -2.246
  841    H4'    U 107           H4'        U 107 -19.313  17.972  -2.745
  842    H3'    U 107           H3'        U 107 -16.866  16.811  -2.410
  843   HO3'    U 107          HO3'        U 107 -17.302  18.581  -3.797
  844    H2'    U 107           H2'        U 107 -16.876  17.154  -0.027
  845   HO2'    U 107          HO2'        U 107 -15.538  19.375  -1.219
  846    H1'    U 107           H1'        U 107 -17.716  19.974  -0.747
  847    H3     U 107           H3         U 107 -19.539  21.312   3.312
  848    H5     U 107           H5         U 107 -16.992  18.076   4.153
  849    H6     U 107           H6         U 107 -16.810  17.684   1.766
  Start of MODEL    5
    1    H    MET   1           H1       MET   1 -17.061  18.823   6.705
    2    HA   MET   1           HA       MET   1 -16.996  16.498   6.193
    3    HB2  MET   1           HB2      MET   1 -16.378  18.294   3.817
    4    HB3  MET   1           HB3      MET   1 -17.070  16.658   3.723
    5    HG2  MET   1           HG2      MET   1 -19.006  17.393   5.076
    6    HG3  MET   1           HG3      MET   1 -18.324  19.019   5.174
    7    HE1  MET   1           HE1      MET   1 -21.459  19.514   2.906
    8    HE2  MET   1           HE2      MET   1 -21.297  18.371   4.258
    9    HE3  MET   1           HE3      MET   1 -20.617  20.003   4.398
   10    H    SER   2           H        SER   2 -15.518  14.959   6.647
   11    HA   SER   2           HA       SER   2 -12.723  15.228   6.313
   12    HB2  SER   2           HB2      SER   2 -12.670  12.809   6.740
   13    HB3  SER   2           HB3      SER   2 -13.747  13.661   7.867
   14    HG   SER   2           HG       SER   2 -14.705  11.771   7.015
   15    H    TYR   3           H        TYR   3 -11.279  14.523   4.801
   16    HA   TYR   3           HA       TYR   3 -10.471  14.397   2.707
   17    HB2  TYR   3           HB2      TYR   3 -12.529  12.201   2.393
   18    HB3  TYR   3           HB3      TYR   3 -11.012  12.371   1.513
   19    HD1  TYR   3           HD2      TYR   3 -12.465  11.699   4.855
   20    HD2  TYR   3           HD1      TYR   3  -8.954  11.563   2.387
   21    HE1  TYR   3           HE2      TYR   3 -11.326  10.309   6.570
   22    HE2  TYR   3           HE1      TYR   3  -7.790  10.183   4.101
   23    HH   TYR   3           HH       TYR   3  -7.952   9.155   6.135
   24    H    GLY   4           H        GLY   4 -13.038  16.146   2.999
   25    HA2  GLY   4           HA2      GLY   4 -14.662  15.817   0.730
   26    HA3  GLY   4           HA3      GLY   4 -14.403  17.349   1.581
   27    H    ARG   5           H        ARG   5 -11.636  17.786   1.088
   28    HA   ARG   5           HA       ARG   5 -11.024  17.452  -1.702
   29    HB2  ARG   5           HB2      ARG   5 -11.223  19.926  -2.274
   30    HB3  ARG   5           HB3      ARG   5 -12.634  18.869  -2.336
   31    HG2  ARG   5           HG2      ARG   5 -13.434  19.625  -0.213
   32    HG3  ARG   5           HG3      ARG   5 -12.000  20.666   0.042
   33    HD2  ARG   5           HD2      ARG   5 -13.884  20.802  -2.316
   34    HD3  ARG   5           HD3      ARG   5 -14.104  21.788  -0.850
   35    HE   ARG   5           HE       ARG   5 -12.028  22.951  -1.344
   36   HH11  ARG   5          HH11      ARG   5 -13.184  20.869  -3.976
   37   HH12  ARG   5          HH12      ARG   5 -12.275  21.733  -5.195
   38   HH21  ARG   5          HH21      ARG   5 -10.854  24.028  -2.963
   39   HH22  ARG   5          HH22      ARG   5 -10.960  23.494  -4.624
   40    HA   PRO   6           HA       PRO   6  -7.695  19.299   1.143
   41    HB2  PRO   6           HB2      PRO   6  -6.276  17.088   1.896
   42    HB3  PRO   6           HB3      PRO   6  -7.683  17.705   2.820
   43    HG2  PRO   6           HG2      PRO   6  -7.644  15.477   0.764
   44    HG3  PRO   6           HG3      PRO   6  -8.365  15.447   2.404
   45    HD2  PRO   6           HD2      PRO   6  -9.860  15.975   0.179
   46    HD3  PRO   6           HD3      PRO   6 -10.169  16.829   1.720
   47    HA   PRO   7           HA       PRO   7  -5.536  19.005  -2.733
   48    HB2  PRO   7           HB2      PRO   7  -3.420  20.653  -2.242
   49    HB3  PRO   7           HB3      PRO   7  -5.101  21.254  -2.378
   50    HG2  PRO   7           HG2      PRO   7  -3.554  20.616   0.150
   51    HG3  PRO   7           HG3      PRO   7  -4.516  22.085  -0.225
   52    HD2  PRO   7           HD2      PRO   7  -5.531  19.992   1.230
   53    HD3  PRO   7           HD3      PRO   7  -6.547  20.952   0.109
   54    HA   PRO   8           HA       PRO   8  -2.447  15.876  -1.624
   55    HB2  PRO   8           HB2      PRO   8  -2.726  14.274  -3.736
   56    HB3  PRO   8           HB3      PRO   8  -4.101  14.459  -2.595
   57    HG2  PRO   8           HG2      PRO   8  -3.678  15.945  -5.216
   58    HG3  PRO   8           HG3      PRO   8  -5.134  15.036  -4.685
   59    HD2  PRO   8           HD2      PRO   8  -4.829  17.760  -4.330
   60    HD3  PRO   8           HD3      PRO   8  -5.766  16.728  -3.207
   61    H    ASP   9           H        ASP   9  -0.876  14.773  -3.645
   62    HA   ASP   9           HA       ASP   9   0.295  17.035  -5.161
   63    HB2  ASP   9           HB2      ASP   9   1.495  16.755  -2.987
   64    HB3  ASP   9           HB3      ASP   9   1.871  15.082  -3.433
   65    H    VAL  10           H        VAL  10  -1.458  14.836  -5.903
   66    HA   VAL  10           HA       VAL  10  -0.052  12.634  -7.019
   67    HB   VAL  10           HB       VAL  10  -2.107  12.183  -8.240
   68   HG11  VAL  10          HG11      VAL  10  -2.681  13.162  -5.416
   69   HG12  VAL  10          HG12      VAL  10  -3.597  11.945  -6.326
   70   HG13  VAL  10          HG13      VAL  10  -1.923  11.606  -5.832
   71   HG21  VAL  10          HG21      VAL  10  -3.056  14.883  -7.159
   72   HG22  VAL  10          HG22      VAL  10  -2.731  14.507  -8.869
   73   HG23  VAL  10          HG23      VAL  10  -4.064  13.701  -8.014
   74    H    GLU  11           H        GLU  11   0.074  15.847  -7.963
   75    HA   GLU  11           HA       GLU  11   0.055  15.532 -10.830
   76    HB2  GLU  11           HB2      GLU  11   0.831  17.875 -10.796
   77    HB3  GLU  11           HB3      GLU  11  -0.549  17.628  -9.716
   78    HG2  GLU  11           HG2      GLU  11   0.958  17.495  -7.771
   79    HG3  GLU  11           HG3      GLU  11   2.364  17.709  -8.835
   80    H    GLY  12           H        GLY  12   2.271  14.320  -8.667
   81    HA2  GLY  12           HA2      GLY  12   4.283  13.934 -10.656
   82    HA3  GLY  12           HA3      GLY  12   4.776  15.249  -9.576
   83    H    MET  13           H        MET  13   3.099  12.063  -9.059
   84    HA   MET  13           HA       MET  13   5.316  11.372  -7.181
   85    HB2  MET  13           HB2      MET  13   3.795  10.620  -5.532
   86    HB3  MET  13           HB3      MET  13   3.328  12.280  -5.927
   87    HG2  MET  13           HG2      MET  13   1.462  11.559  -7.225
   88    HG3  MET  13           HG3      MET  13   2.062   9.911  -7.327
   89    HE1  MET  13           HE1      MET  13   0.300  11.607  -3.412
   90    HE2  MET  13           HE2      MET  13   1.730  12.276  -4.236
   91    HE3  MET  13           HE3      MET  13   0.111  12.478  -4.958
   92    H    THR  14           H        THR  14   5.079   9.026  -6.407
   93    HA   THR  14           HA       THR  14   5.259   7.288  -8.694
   94    HB   THR  14           HB       THR  14   5.431   6.965  -5.683
   95   HG21  THR  14          HG21      THR  14   6.195   4.644  -6.076
   96   HG22  THR  14          HG22      THR  14   4.480   4.852  -6.467
   97   HG23  THR  14          HG23      THR  14   5.690   4.776  -7.779
   98    H    SER  15           H        SER  15   2.616   8.165  -6.575
   99    HA   SER  15           HA       SER  15   0.567   7.284  -6.189
  100    HB2  SER  15           HB2      SER  15   0.748   7.027  -9.218
  101    HB3  SER  15           HB3      SER  15  -0.756   6.932  -8.280
  102    HG   SER  15           HG       SER  15   0.987   9.128  -8.562
  103    H    LEU  16           H        LEU  16   2.015   5.323  -5.230
  104    HA   LEU  16           HA       LEU  16   1.505   2.750  -6.411
  105    HB2  LEU  16           HB2      LEU  16   2.930   3.294  -4.335
  106    HB3  LEU  16           HB3      LEU  16   1.385   3.413  -3.457
  107    HG   LEU  16           HG       LEU  16   0.865   1.044  -4.114
  108   HD11  LEU  16          HD11      LEU  16   3.817   0.936  -4.855
  109   HD12  LEU  16          HD12      LEU  16   2.640  -0.391  -4.879
  110   HD13  LEU  16          HD13      LEU  16   2.498   0.938  -6.051
  111   HD21  LEU  16          HD21      LEU  16   2.469   0.090  -2.462
  112   HD22  LEU  16          HD22      LEU  16   3.376   1.616  -2.510
  113   HD23  LEU  16          HD23      LEU  16   1.708   1.607  -1.900
  114    H    LYS  17           H        LYS  17  -0.260   1.225  -5.725
  115    HA   LYS  17           HA       LYS  17  -2.628   2.588  -4.565
  116    HB2  LYS  17           HB2      LYS  17  -4.135   1.510  -6.060
  117    HB3  LYS  17           HB3      LYS  17  -2.927   2.371  -7.037
  118    HG2  LYS  17           HG2      LYS  17  -1.778   0.297  -7.553
  119    HG3  LYS  17           HG3      LYS  17  -2.736  -0.589  -6.337
  120    HD2  LYS  17           HD2      LYS  17  -4.798   0.036  -7.702
  121    HD3  LYS  17           HD3      LYS  17  -3.667   0.589  -8.959
  122    HE2  LYS  17           HE2      LYS  17  -4.321  -1.711  -9.449
  123    HE3  LYS  17           HE3      LYS  17  -2.623  -1.699  -8.943
  124    HZ1  LYS  17           HZ1      LYS  17  -4.902  -2.312  -7.176
  125    HZ2  LYS  17           HZ2      LYS  17  -3.951  -3.445  -7.897
  126    HZ3  LYS  17           HZ3      LYS  17  -3.318  -2.416  -6.780
  127    H    VAL  18           H        VAL  18  -3.986   1.273  -3.283
  128    HA   VAL  18           HA       VAL  18  -3.029  -1.532  -2.826
  129    HB   VAL  18           HB       VAL  18  -3.975   0.382  -0.664
  130   HG11  VAL  18          HG11      VAL  18  -2.957  -2.485  -0.596
  131   HG12  VAL  18          HG12      VAL  18  -3.161  -1.457   0.837
  132   HG13  VAL  18          HG13      VAL  18  -4.575  -1.891  -0.144
  133   HG21  VAL  18          HG21      VAL  18  -1.696   0.995  -1.430
  134   HG22  VAL  18          HG22      VAL  18  -1.667   0.284   0.198
  135   HG23  VAL  18          HG23      VAL  18  -1.173  -0.689  -1.206
  136    H    ASP  19           H        ASP  19  -4.595  -3.028  -2.478
  137    HA   ASP  19           HA       ASP  19  -7.428  -2.239  -2.259
  138    HB2  ASP  19           HB2      ASP  19  -6.335  -3.938  -4.539
  139    HB3  ASP  19           HB3      ASP  19  -8.042  -3.590  -4.234
  140    H    ASN  20           H        ASN  20  -8.750  -4.449  -2.385
  141    HA   ASN  20           HA       ASN  20  -9.004  -6.679  -2.069
  142    HB2  ASN  20           HB2      ASN  20  -6.500  -6.831  -2.641
  143    HB3  ASN  20           HB3      ASN  20  -6.253  -7.018  -0.889
  144   HD21  ASN  20          HD22      ASN  20  -5.417  -9.118  -1.303
  145   HD22  ASN  20          HD21      ASN  20  -6.476 -10.458  -1.717
  146    H    LEU  21           H        LEU  21  -9.480  -4.489  -0.151
  147    HA   LEU  21           HA       LEU  21  -8.883  -5.113   2.524
  148    HB2  LEU  21           HB2      LEU  21 -11.240  -3.762   1.173
  149    HB3  LEU  21           HB3      LEU  21 -11.123  -3.876   2.914
  150    HG   LEU  21           HG       LEU  21 -10.315  -1.722   1.682
  151   HD11  LEU  21          HD11      LEU  21 -10.195  -2.184   4.091
  152   HD12  LEU  21          HD12      LEU  21  -8.653  -3.044   3.848
  153   HD13  LEU  21          HD13      LEU  21  -8.781  -1.289   3.516
  154   HD21  LEU  21          HD21      LEU  21  -7.760  -3.393   1.557
  155   HD22  LEU  21          HD22      LEU  21  -8.662  -2.790   0.142
  156   HD23  LEU  21          HD23      LEU  21  -7.887  -1.656   1.255
  157    H    THR  22           H        THR  22  -9.372  -6.860   3.706
  158    HA   THR  22           HA       THR  22 -11.291  -8.794   2.876
  159    HB   THR  22           HB       THR  22 -10.094  -8.385   5.657
  160   HG21  THR  22          HG21      THR  22 -11.723 -10.153   5.692
  161   HG22  THR  22          HG22      THR  22 -11.087 -10.841   4.165
  162   HG23  THR  22          HG23      THR  22 -10.114 -10.905   5.647
  163    H    TYR  23           H        TYR  23 -13.106  -9.510   4.411
  164    HA   TYR  23           HA       TYR  23 -15.070  -7.480   4.580
  165    HB2  TYR  23           HB2      TYR  23 -16.433  -9.267   5.575
  166    HB3  TYR  23           HB3      TYR  23 -15.528  -9.858   4.184
  167    HD1  TYR  23           HD1      TYR  23 -13.638 -11.411   4.463
  168    HD2  TYR  23           HD2      TYR  23 -15.953 -10.065   7.823
  169    HE1  TYR  23           HE1      TYR  23 -12.680 -13.237   5.840
  170    HE2  TYR  23           HE2      TYR  23 -15.009 -11.893   9.212
  171    HH   TYR  23           HH       TYR  23 -12.642 -14.241   7.896
  172    H    ARG  24           H        ARG  24 -12.484  -7.433   6.497
  173    HA   ARG  24           HA       ARG  24 -13.993  -6.604   8.928
  174    HB2  ARG  24           HB2      ARG  24 -12.358  -7.773  10.302
  175    HB3  ARG  24           HB3      ARG  24 -13.064  -8.915   9.138
  176    HG2  ARG  24           HG2      ARG  24 -11.048  -8.427   7.632
  177    HG3  ARG  24           HG3      ARG  24 -10.328  -7.583   9.028
  178    HD2  ARG  24           HD2      ARG  24 -10.717  -9.662  10.381
  179    HD3  ARG  24           HD3      ARG  24 -11.208 -10.476   8.878
  180    HE   ARG  24           HE       ARG  24  -8.730  -9.424   8.260
  181   HH11  ARG  24          HH11      ARG  24  -9.948 -11.535  10.817
  182   HH12  ARG  24          HH12      ARG  24  -8.409 -12.330  11.057
  183   HH21  ARG  24          HH21      ARG  24  -6.724 -10.517   8.573
  184   HH22  ARG  24          HH22      ARG  24  -6.606 -11.758   9.784
  185    H    THR  25           H        THR  25 -12.500  -5.244   6.541
  186    HA   THR  25           HA       THR  25 -10.605  -3.654   8.215
  187    HB   THR  25           HB       THR  25 -10.227  -4.153   5.255
  188   HG21  THR  25          HG21      THR  25  -8.356  -3.505   7.583
  189   HG22  THR  25          HG22      THR  25  -7.830  -3.820   5.915
  190   HG23  THR  25          HG23      THR  25  -8.830  -2.396   6.288
  191    H    SER  26           H        SER  26 -10.114  -1.466   7.222
  192    HA   SER  26           HA       SER  26 -12.329  -0.192   5.755
  193    HB2  SER  26           HB2      SER  26 -12.908   1.266   7.617
  194    HB3  SER  26           HB3      SER  26 -12.947  -0.394   8.225
  195    HG   SER  26           HG       SER  26 -11.791   1.006   9.604
  196    HA   PRO  27           HA       PRO  27  -9.040   2.392   4.437
  197    HB2  PRO  27           HB2      PRO  27  -9.970   4.973   4.448
  198    HB3  PRO  27           HB3      PRO  27 -10.548   3.720   3.304
  199    HG2  PRO  27           HG2      PRO  27 -11.822   4.614   5.903
  200    HG3  PRO  27           HG3      PRO  27 -12.612   4.381   4.312
  201    HD2  PRO  27           HD2      PRO  27 -12.703   2.505   6.265
  202    HD3  PRO  27           HD3      PRO  27 -12.564   2.010   4.566
  203    H    ASP  28           H        ASP  28 -10.455   3.346   7.578
  204    HA   ASP  28           HA       ASP  28  -8.229   5.034   8.326
  205    HB2  ASP  28           HB2      ASP  28 -10.516   4.978   9.442
  206    HB3  ASP  28           HB3      ASP  28 -10.001   3.440  10.191
  207    H    THR  29           H        THR  29  -8.884   1.521   8.422
  208    HA   THR  29           HA       THR  29  -6.596   0.979  10.122
  209    HB   THR  29           HB       THR  29  -8.146  -0.869   8.269
  210   HG21  THR  29          HG21      THR  29  -6.064  -1.301  10.452
  211   HG22  THR  29          HG22      THR  29  -7.075  -2.598   9.754
  212   HG23  THR  29          HG23      THR  29  -5.910  -1.719   8.737
  213    H    LEU  30           H        LEU  30  -7.315   0.863   6.597
  214    HA   LEU  30           HA       LEU  30  -4.749  -0.019   5.779
  215    HB2  LEU  30           HB2      LEU  30  -7.202   1.048   4.661
  216    HB3  LEU  30           HB3      LEU  30  -5.816   1.736   3.802
  217    HG   LEU  30           HG       LEU  30  -6.791  -0.380   2.824
  218   HD11  LEU  30          HD11      LEU  30  -4.589   0.187   2.130
  219   HD12  LEU  30          HD12      LEU  30  -3.884  -0.342   3.679
  220   HD13  LEU  30          HD13      LEU  30  -4.555  -1.534   2.536
  221   HD21  LEU  30          HD21      LEU  30  -7.175  -1.495   5.063
  222   HD22  LEU  30          HD22      LEU  30  -6.365  -2.511   3.847
  223   HD23  LEU  30          HD23      LEU  30  -5.421  -1.786   5.155
  224    H    ARG  31           H        ARG  31  -5.715   3.047   7.127
  225    HA   ARG  31           HA       ARG  31  -3.486   4.481   5.890
  226    HB2  ARG  31           HB2      ARG  31  -5.538   5.686   6.459
  227    HB3  ARG  31           HB3      ARG  31  -5.401   5.186   8.148
  228    HG2  ARG  31           HG2      ARG  31  -4.636   7.536   7.744
  229    HG3  ARG  31           HG3      ARG  31  -3.405   6.498   8.484
  230    HD2  ARG  31           HD2      ARG  31  -2.311   6.215   6.273
  231    HD3  ARG  31           HD3      ARG  31  -3.553   7.231   5.525
  232    HE   ARG  31           HE       ARG  31  -1.497   8.102   7.520
  233   HH11  ARG  31          HH11      ARG  31  -3.848   8.966   5.002
  234   HH12  ARG  31          HH12      ARG  31  -3.300  10.627   4.942
  235   HH21  ARG  31          HH21      ARG  31  -0.856  10.216   7.420
  236   HH22  ARG  31          HH22      ARG  31  -1.618  11.347   6.318
  237    H    ARG  32           H        ARG  32  -4.272   3.435   9.308
  238    HA   ARG  32           HA       ARG  32  -1.658   4.287  10.153
  239    HB2  ARG  32           HB2      ARG  32  -2.333   3.779  12.267
  240    HB3  ARG  32           HB3      ARG  32  -3.919   3.943  11.495
  241    HG2  ARG  32           HG2      ARG  32  -2.618   1.213  11.665
  242    HG3  ARG  32           HG3      ARG  32  -3.377   1.925  13.100
  243    HD2  ARG  32           HD2      ARG  32  -4.746   1.635  10.425
  244    HD3  ARG  32           HD3      ARG  32  -4.888   0.454  11.746
  245    HE   ARG  32           HE       ARG  32  -6.200   3.046  11.535
  246   HH11  ARG  32          HH11      ARG  32  -5.084   0.573  13.799
  247   HH12  ARG  32          HH12      ARG  32  -6.261   1.002  15.023
  248   HH21  ARG  32          HH21      ARG  32  -7.707   3.588  13.134
  249   HH22  ARG  32          HH22      ARG  32  -7.720   2.739  14.661
  250    H    VAL  33           H        VAL  33  -2.728   1.509   8.494
  251    HA   VAL  33           HA       VAL  33  -0.602  -0.265   9.505
  252    HB   VAL  33           HB       VAL  33  -2.874  -0.507   7.510
  253   HG11  VAL  33          HG11      VAL  33  -2.358  -2.916   7.408
  254   HG12  VAL  33          HG12      VAL  33  -1.068  -1.924   6.701
  255   HG13  VAL  33          HG13      VAL  33  -0.854  -2.634   8.325
  256   HG21  VAL  33          HG21      VAL  33  -2.360  -1.842  10.203
  257   HG22  VAL  33          HG22      VAL  33  -3.475  -0.490   9.918
  258   HG23  VAL  33          HG23      VAL  33  -3.793  -2.059   9.154
  259    H    PHE  34           H        PHE  34  -1.332   1.739   6.613
  260    HA   PHE  34           HA       PHE  34   1.198   0.744   5.391
  261    HB2  PHE  34           HB2      PHE  34  -1.333   1.986   4.348
  262    HB3  PHE  34           HB3      PHE  34   0.129   2.197   3.433
  263    HD1  PHE  34           HD1      PHE  34  -2.029  -0.433   4.962
  264    HD2  PHE  34           HD2      PHE  34   0.935   0.487   1.992
  265    HE1  PHE  34           HE1      PHE  34  -2.337  -2.679   3.956
  266    HE2  PHE  34           HE2      PHE  34   0.628  -1.773   0.989
  267    HZ   PHE  34           HZ       PHE  34  -0.997  -3.343   1.967
  268    H    GLU  35           H        GLU  35   0.060   3.368   7.262
  269    HA   GLU  35           HA       GLU  35   1.754   5.411   6.120
  270    HB2  GLU  35           HB2      GLU  35  -0.183   5.961   7.474
  271    HB3  GLU  35           HB3      GLU  35   0.480   5.051   8.857
  272    HG2  GLU  35           HG2      GLU  35   2.253   6.639   9.142
  273    HG3  GLU  35           HG3      GLU  35   1.863   7.446   7.604
  274    H    LYS  36           H        LYS  36   2.300   2.707   8.329
  275    HA   LYS  36           HA       LYS  36   4.602   3.821   9.635
  276    HB2  LYS  36           HB2      LYS  36   4.989   1.562  10.438
  277    HB3  LYS  36           HB3      LYS  36   3.262   1.979  10.569
  278    HG2  LYS  36           HG2      LYS  36   2.822   0.703   8.478
  279    HG3  LYS  36           HG3      LYS  36   4.545   0.261   8.396
  280    HD2  LYS  36           HD2      LYS  36   4.353  -0.839  10.618
  281    HD3  LYS  36           HD3      LYS  36   2.621  -0.435  10.658
  282    HE2  LYS  36           HE2      LYS  36   2.281  -1.751   8.583
  283    HE3  LYS  36           HE3      LYS  36   4.010  -2.123   8.535
  284    HZ1  LYS  36           HZ1      LYS  36   2.748  -3.901   9.513
  285    HZ2  LYS  36           HZ2      LYS  36   3.762  -3.257  10.631
  286    HZ3  LYS  36           HZ3      LYS  36   2.151  -2.911  10.681
  287    H    TYR  37           H        TYR  37   4.165   2.258   6.536
  288    HA   TYR  37           HA       TYR  37   6.936   1.521   6.180
  289    HB2  TYR  37           HB2      TYR  37   4.649   1.926   4.229
  290    HB3  TYR  37           HB3      TYR  37   6.252   1.317   3.776
  291    HD1  TYR  37           HD2      TYR  37   3.195   0.586   5.744
  292    HD2  TYR  37           HD1      TYR  37   6.940  -0.921   4.263
  293    HE1  TYR  37           HE2      TYR  37   2.540  -1.696   6.424
  294    HE2  TYR  37           HE1      TYR  37   6.297  -3.215   4.956
  295    HH   TYR  37           HH       TYR  37   4.703  -4.528   5.942
  296    H    GLY  38           H        GLY  38   5.228   4.540   6.007
  297    HA2  GLY  38           HA2      GLY  38   7.505   6.107   5.946
  298    HA3  GLY  38           HA3      GLY  38   7.115   5.858   4.236
  299    H    ARG  39           H        ARG  39   4.984   6.522   3.459
  300    HA   ARG  39           HA       ARG  39   3.188   8.027   5.155
  301    HB2  ARG  39           HB2      ARG  39   3.440  10.137   3.798
  302    HB3  ARG  39           HB3      ARG  39   4.726   9.813   4.976
  303    HG2  ARG  39           HG2      ARG  39   6.212   9.023   3.208
  304    HG3  ARG  39           HG3      ARG  39   4.918   9.210   2.001
  305    HD2  ARG  39           HD2      ARG  39   6.348  11.175   1.867
  306    HD3  ARG  39           HD3      ARG  39   4.805  11.657   2.584
  307    HE   ARG  39           HE       ARG  39   5.882  12.138   4.582
  308   HH11  ARG  39          HH11      ARG  39   8.064  10.326   2.465
  309   HH12  ARG  39          HH12      ARG  39   9.455  10.582   3.488
  310   HH21  ARG  39          HH21      ARG  39   7.716  12.449   5.899
  311   HH22  ARG  39          HH22      ARG  39   9.255  11.763   5.433
  312    H    VAL  40           H        VAL  40   1.464   9.060   3.869
  313    HA   VAL  40           HA       VAL  40   0.826   7.493   1.412
  314    HB   VAL  40           HB       VAL  40  -0.888   7.923   3.900
  315   HG11  VAL  40          HG11      VAL  40  -1.570   6.581   1.255
  316   HG12  VAL  40          HG12      VAL  40  -2.580   6.559   2.722
  317   HG13  VAL  40          HG13      VAL  40  -2.274   8.090   1.893
  318   HG21  VAL  40          HG21      VAL  40   0.745   6.097   4.168
  319   HG22  VAL  40          HG22      VAL  40  -0.887   5.434   3.985
  320   HG23  VAL  40          HG23      VAL  40   0.240   5.404   2.609
  321    H    GLY  41           H        GLY  41  -0.270   8.686  -0.121
  322    HA2  GLY  41           HA2      GLY  41  -0.450  11.609   0.387
  323    HA3  GLY  41           HA3      GLY  41  -0.445  10.788  -1.191
  324    H    ASP  42           H        ASP  42  -2.428   8.744  -0.210
  325    HA   ASP  42           HA       ASP  42  -4.761  10.181   0.691
  326    HB2  ASP  42           HB2      ASP  42  -4.641  10.757  -1.769
  327    HB3  ASP  42           HB3      ASP  42  -4.775   9.032  -2.132
  328    H    VAL  43           H        VAL  43  -6.472   8.755   1.216
  329    HA   VAL  43           HA       VAL  43  -6.284   5.897   0.643
  330    HB   VAL  43           HB       VAL  43  -5.007   5.745   2.590
  331   HG11  VAL  43          HG11      VAL  43  -5.516   6.865   4.710
  332   HG12  VAL  43          HG12      VAL  43  -5.181   8.034   3.419
  333   HG13  VAL  43          HG13      VAL  43  -6.865   7.739   3.947
  334   HG21  VAL  43          HG21      VAL  43  -6.368   4.559   4.122
  335   HG22  VAL  43          HG22      VAL  43  -7.835   5.452   3.630
  336   HG23  VAL  43          HG23      VAL  43  -7.068   4.303   2.511
  337    H    TYR  44           H        TYR  44  -8.192   5.620  -0.231
  338    HA   TYR  44           HA       TYR  44 -10.590   6.913   0.927
  339    HB2  TYR  44           HB2      TYR  44  -9.598   8.679  -0.324
  340    HB3  TYR  44           HB3      TYR  44  -9.149   7.603  -1.636
  341    HD1  TYR  44           HD1      TYR  44 -12.182   9.107   0.001
  342    HD2  TYR  44           HD2      TYR  44 -10.381   7.439  -3.530
  343    HE1  TYR  44           HE1      TYR  44 -14.156   9.783  -1.322
  344    HE2  TYR  44           HE2      TYR  44 -12.324   8.154  -4.878
  345    HH   TYR  44           HH       TYR  44 -15.110   9.868  -3.390
  346    H    ILE  45           H        ILE  45 -12.552   6.289  -0.285
  347    HA   ILE  45           HA       ILE  45 -12.268   3.662  -1.652
  348    HB   ILE  45           HB       ILE  45 -14.108   4.265   0.698
  349   HG12  ILE  45          HG12      ILE  45 -11.491   2.759   0.424
  350   HG13  ILE  45          HG13      ILE  45 -11.909   4.058   1.555
  351   HG21  ILE  45          HG21      ILE  45 -13.630   1.642  -0.768
  352   HG22  ILE  45          HG22      ILE  45 -14.715   1.904   0.616
  353   HG23  ILE  45          HG23      ILE  45 -15.090   2.655  -0.938
  354   HD11  ILE  45          HD11      ILE  45 -12.981   1.204   1.593
  355   HD12  ILE  45          HD12      ILE  45 -11.822   1.916   2.712
  356   HD13  ILE  45          HD13      ILE  45 -13.505   2.507   2.687
  357    HA   PRO  46           HA       PRO  46 -15.395   5.748  -4.131
  358    HB2  PRO  46           HB2      PRO  46 -15.561   3.933  -6.158
  359    HB3  PRO  46           HB3      PRO  46 -14.097   4.936  -5.911
  360    HG2  PRO  46           HG2      PRO  46 -14.593   2.106  -4.939
  361    HG3  PRO  46           HG3      PRO  46 -13.175   2.726  -5.857
  362    HD2  PRO  46           HD2      PRO  46 -13.167   2.486  -3.133
  363    HD3  PRO  46           HD3      PRO  46 -12.315   3.825  -3.967
  364    H    ARG  47           H        ARG  47 -16.197   4.500  -1.783
  365    HA   ARG  47           HA       ARG  47 -17.790   2.267  -1.735
  366    HB2  ARG  47           HB2      ARG  47 -17.170   3.700   0.182
  367    HB3  ARG  47           HB3      ARG  47 -18.250   4.973  -0.405
  368    HG2  ARG  47           HG2      ARG  47 -20.178   3.431  -0.150
  369    HG3  ARG  47           HG3      ARG  47 -19.071   2.195   0.516
  370    HD2  ARG  47           HD2      ARG  47 -18.414   3.804   2.306
  371    HD3  ARG  47           HD3      ARG  47 -19.588   4.966   1.670
  372    HE   ARG  47           HE       ARG  47 -20.126   2.548   3.245
  373   HH11  ARG  47          HH11      ARG  47 -21.530   4.901   1.006
  374   HH12  ARG  47          HH12      ARG  47 -23.155   4.659   1.603
  375   HH21  ARG  47          HH21      ARG  47 -22.256   2.230   3.962
  376   HH22  ARG  47          HH22      ARG  47 -23.565   3.133   3.235
  377    H    ASP  48           H        ASP  48 -18.783   5.539  -2.760
  378    HA   ASP  48           HA       ASP  48 -20.641   4.717  -4.731
  379    HB2  ASP  48           HB2      ASP  48 -22.716   5.291  -3.669
  380    HB3  ASP  48           HB3      ASP  48 -21.977   4.028  -2.685
  381    H    ARG  49           H        ARG  49 -21.721   6.573  -5.626
  382    HA   ARG  49           HA       ARG  49 -21.034   9.220  -4.457
  383    HB2  ARG  49           HB2      ARG  49 -19.671   9.682  -6.163
  384    HB3  ARG  49           HB3      ARG  49 -19.996   8.132  -6.925
  385    HG2  ARG  49           HG2      ARG  49 -22.054   9.134  -7.979
  386    HG3  ARG  49           HG3      ARG  49 -21.534  10.720  -7.362
  387    HD2  ARG  49           HD2      ARG  49 -19.748   8.920  -9.021
  388    HD3  ARG  49           HD3      ARG  49 -20.855  10.116  -9.735
  389    HE   ARG  49           HE       ARG  49 -18.936  11.071  -7.695
  390   HH11  ARG  49          HH11      ARG  49 -19.782  10.848 -11.132
  391   HH12  ARG  49          HH12      ARG  49 -18.745  12.180 -11.579
  392   HH21  ARG  49          HH21      ARG  49 -17.614  12.764  -8.309
  393   HH22  ARG  49          HH22      ARG  49 -17.491  13.260  -9.986
  394    H    TYR  50           H        TYR  50 -23.345   7.015  -5.382
  395    HA   TYR  50           HA       TYR  50 -25.541   8.852  -5.149
  396    HB2  TYR  50           HB2      TYR  50 -26.432   8.628  -7.360
  397    HB3  TYR  50           HB3      TYR  50 -24.795   9.278  -7.493
  398    HD1  TYR  50           HD2      TYR  50 -22.915   7.264  -7.728
  399    HD2  TYR  50           HD1      TYR  50 -27.046   7.047  -8.928
  400    HE1  TYR  50           HE2      TYR  50 -22.350   5.462  -9.296
  401    HE2  TYR  50           HE1      TYR  50 -26.477   5.240 -10.528
  402    HH   TYR  50           HH       TYR  50 -24.826   3.906 -11.387
  403    H    THR  51           H        THR  51 -24.332   6.079  -4.297
  404    HA   THR  51           HA       THR  51 -26.731   4.407  -4.953
  405    HB   THR  51           HB       THR  51 -25.397   2.571  -5.505
  406   HG21  THR  51          HG21      THR  51 -23.637   4.874  -6.428
  407   HG22  THR  51          HG22      THR  51 -23.784   3.283  -7.187
  408   HG23  THR  51          HG23      THR  51 -25.167   4.411  -7.239
  409    H    LYS  52           H        LYS  52 -24.673   5.566  -2.496
  410    HA   LYS  52           HA       LYS  52 -24.009   4.884  -0.470
  411    HB2  LYS  52           HB2      LYS  52 -25.775   4.576   1.145
  412    HB3  LYS  52           HB3      LYS  52 -26.147   5.882   0.029
  413    HG2  LYS  52           HG2      LYS  52 -27.246   3.130  -0.555
  414    HG3  LYS  52           HG3      LYS  52 -27.934   4.054   0.778
  415    HD2  LYS  52           HD2      LYS  52 -28.479   5.929  -0.660
  416    HD3  LYS  52           HD3      LYS  52 -27.687   5.168  -2.042
  417    HE2  LYS  52           HE2      LYS  52 -30.082   4.834  -2.225
  418    HE3  LYS  52           HE3      LYS  52 -29.296   3.278  -1.928
  419    HZ1  LYS  52           HZ1      LYS  52 -31.250   3.560  -0.572
  420    HZ2  LYS  52           HZ2      LYS  52 -29.924   3.477   0.387
  421    HZ3  LYS  52           HZ3      LYS  52 -30.646   4.929   0.103
  422    H    GLU  53           H        GLU  53 -23.848   2.699  -2.514
  423    HA   GLU  53           HA       GLU  53 -24.162   0.229  -1.030
  424    HB2  GLU  53           HB2      GLU  53 -22.775   1.015  -3.624
  425    HB3  GLU  53           HB3      GLU  53 -22.778  -0.642  -3.001
  426    HG2  GLU  53           HG2      GLU  53 -25.188  -0.728  -2.978
  427    HG3  GLU  53           HG3      GLU  53 -25.291   0.924  -3.630
  428    H    SER  54           H        SER  54 -21.682  -0.928  -1.809
  429    HA   SER  54           HA       SER  54 -19.444   0.547  -0.631
  430    HB2  SER  54           HB2      SER  54 -20.665  -1.939   0.599
  431    HB3  SER  54           HB3      SER  54 -18.970  -1.445   0.887
  432    HG   SER  54           HG       SER  54 -21.242   0.180   1.395
  433    H    ARG  55           H        ARG  55 -17.430  -0.865  -0.739
  434    HA   ARG  55           HA       ARG  55 -17.587  -2.908  -2.884
  435    HB2  ARG  55           HB2      ARG  55 -15.452  -0.763  -2.551
  436    HB3  ARG  55           HB3      ARG  55 -15.578  -1.968  -3.845
  437    HG2  ARG  55           HG2      ARG  55 -17.561   0.293  -3.324
  438    HG3  ARG  55           HG3      ARG  55 -16.295   0.321  -4.542
  439    HD2  ARG  55           HD2      ARG  55 -17.296  -1.533  -5.744
  440    HD3  ARG  55           HD3      ARG  55 -18.504  -1.773  -4.471
  441    HE   ARG  55           HE       ARG  55 -18.338   0.725  -6.123
  442   HH11  ARG  55          HH11      ARG  55 -20.286  -1.788  -4.537
  443   HH12  ARG  55          HH12      ARG  55 -21.790  -1.120  -5.148
  444   HH21  ARG  55          HH21      ARG  55 -20.357   1.565  -6.808
  445   HH22  ARG  55          HH22      ARG  55 -21.830   0.729  -6.351
  446    H    GLY  56           H        GLY  56 -15.028  -3.660  -2.891
  447    HA2  GLY  56           HA2      GLY  56 -14.567  -4.730  -0.127
  448    HA3  GLY  56           HA3      GLY  56 -14.437  -5.708  -1.592
  449    H    PHE  57           H        PHE  57 -13.281  -2.355  -1.444
  450    HA   PHE  57           HA       PHE  57 -10.493  -3.111  -0.893
  451    HB2  PHE  57           HB2      PHE  57  -9.672  -2.249  -3.004
  452    HB3  PHE  57           HB3      PHE  57 -10.734  -3.628  -3.289
  453    HD1  PHE  57           HD2      PHE  57 -13.091  -3.245  -4.080
  454    HD2  PHE  57           HD1      PHE  57 -10.153  -0.116  -3.941
  455    HE1  PHE  57           HE2      PHE  57 -14.496  -1.869  -5.591
  456    HE2  PHE  57           HE1      PHE  57 -11.529   1.242  -5.501
  457    HZ   PHE  57           HZ       PHE  57 -13.705   0.375  -6.315
  458    H    ALA  58           H        ALA  58  -9.114  -1.099  -1.030
  459    HA   ALA  58           HA       ALA  58 -10.572   1.443  -0.743
  460    HB1  ALA  58           HB1      ALA  58  -8.717   0.352   1.416
  461    HB2  ALA  58           HB2      ALA  58  -9.464   1.967   1.403
  462    HB3  ALA  58           HB3      ALA  58 -10.483   0.524   1.562
  463    H    PHE  59           H        PHE  59  -9.624   2.444  -2.397
  464    HA   PHE  59           HA       PHE  59  -6.995   1.795  -3.340
  465    HB2  PHE  59           HB2      PHE  59  -8.707   2.480  -4.875
  466    HB3  PHE  59           HB3      PHE  59  -8.979   3.982  -4.000
  467    HD1  PHE  59           HD1      PHE  59  -6.675   2.254  -6.413
  468    HD2  PHE  59           HD2      PHE  59  -7.621   5.903  -4.306
  469    HE1  PHE  59           HE1      PHE  59  -5.065   3.487  -7.803
  470    HE2  PHE  59           HE2      PHE  59  -6.055   7.137  -5.758
  471    HZ   PHE  59           HZ       PHE  59  -4.723   5.920  -7.475
  472    H    VAL  60           H        VAL  60  -5.568   2.069  -1.620
  473    HA   VAL  60           HA       VAL  60  -5.163   4.775  -0.531
  474    HB   VAL  60           HB       VAL  60  -3.394   2.298  -0.343
  475   HG11  VAL  60          HG11      VAL  60  -3.410   4.898   1.228
  476   HG12  VAL  60          HG12      VAL  60  -2.487   3.444   1.671
  477   HG13  VAL  60          HG13      VAL  60  -2.102   4.292   0.173
  478   HG21  VAL  60          HG21      VAL  60  -5.590   1.888   0.675
  479   HG22  VAL  60          HG22      VAL  60  -4.407   2.201   1.977
  480   HG23  VAL  60          HG23      VAL  60  -5.538   3.472   1.477
  481    H    ARG  61           H        ARG  61  -3.084   5.935  -0.906
  482    HA   ARG  61           HA       ARG  61  -1.838   5.322  -3.524
  483    HB2  ARG  61           HB2      ARG  61  -3.816   6.909  -3.778
  484    HB3  ARG  61           HB3      ARG  61  -2.928   8.068  -2.782
  485    HG2  ARG  61           HG2      ARG  61  -1.049   7.993  -4.457
  486    HG3  ARG  61           HG3      ARG  61  -2.028   6.872  -5.432
  487    HD2  ARG  61           HD2      ARG  61  -3.882   8.652  -5.294
  488    HD3  ARG  61           HD3      ARG  61  -2.608   9.759  -4.745
  489    HE   ARG  61           HE       ARG  61  -1.417   9.068  -6.934
  490   HH11  ARG  61          HH11      ARG  61  -4.933   9.282  -6.556
  491   HH12  ARG  61          HH12      ARG  61  -5.225   9.374  -8.273
  492   HH21  ARG  61          HH21      ARG  61  -1.835   9.256  -9.162
  493   HH22  ARG  61          HH22      ARG  61  -3.487   9.378  -9.742
  494    H    PHE  62           H        PHE  62   0.379   5.627  -3.470
  495    HA   PHE  62           HA       PHE  62   1.474   7.122  -1.099
  496    HB2  PHE  62           HB2      PHE  62   2.548   4.754  -2.645
  497    HB3  PHE  62           HB3      PHE  62   3.591   5.803  -1.735
  498    HD1  PHE  62           HD2      PHE  62   0.287   4.095  -1.044
  499    HD2  PHE  62           HD1      PHE  62   4.255   5.080   0.312
  500    HE1  PHE  62           HE2      PHE  62  -0.102   2.812   1.039
  501    HE2  PHE  62           HE1      PHE  62   3.912   3.678   2.322
  502    HZ   PHE  62           HZ       PHE  62   1.790   2.498   2.664
  503    H    HIS  63           H        HIS  63   3.451   8.257  -1.356
  504    HA   HIS  63           HA       HIS  63   3.726   9.352  -4.102
  505    HB2  HIS  63           HB2      HIS  63   4.830  11.279  -2.528
  506    HB3  HIS  63           HB3      HIS  63   3.206  11.275  -3.183
  507    HD2  HIS  63           HD2      HIS  63   4.114   9.213   0.075
  508    HE1  HIS  63           HE1      HIS  63   1.548  12.418   1.146
  509    HE2  HIS  63           HE2      HIS  63   2.729  10.324   1.967
  510    H    ASP  64           H        ASP  64   5.558   8.219  -1.270
  511    HA   ASP  64           HA       ASP  64   8.114   8.815  -2.546
  512    HB2  ASP  64           HB2      ASP  64   7.152   7.331  -0.123
  513    HB3  ASP  64           HB3      ASP  64   8.832   7.106  -0.686
  514    H    LYS  65           H        LYS  65   9.136   7.620  -4.032
  515    HA   LYS  65           HA       LYS  65   7.972   5.289  -5.190
  516    HB2  LYS  65           HB2      LYS  65   9.428   6.815  -6.413
  517    HB3  LYS  65           HB3      LYS  65  10.749   6.523  -5.284
  518    HG2  LYS  65           HG2      LYS  65  11.182   5.350  -7.330
  519    HG3  LYS  65           HG3      LYS  65  10.853   4.135  -6.090
  520    HD2  LYS  65           HD2      LYS  65   8.547   5.158  -7.729
  521    HD3  LYS  65           HD3      LYS  65   9.722   4.096  -8.533
  522    HE2  LYS  65           HE2      LYS  65   8.256   3.401  -5.972
  523    HE3  LYS  65           HE3      LYS  65   7.738   2.929  -7.600
  524    HZ1  LYS  65           HZ1      LYS  65  10.297   2.171  -6.343
  525    HZ2  LYS  65           HZ2      LYS  65   9.005   1.191  -6.594
  526    HZ3  LYS  65           HZ3      LYS  65   9.841   1.793  -7.875
  527    H    ARG  66           H        ARG  66  10.793   5.717  -2.982
  528    HA   ARG  66           HA       ARG  66  11.435   2.929  -2.994
  529    HB2  ARG  66           HB2      ARG  66  13.060   3.495  -1.301
  530    HB3  ARG  66           HB3      ARG  66  13.035   4.708  -2.590
  531    HG2  ARG  66           HG2      ARG  66  13.163   6.072  -0.752
  532    HG3  ARG  66           HG3      ARG  66  11.406   6.006  -0.980
  533    HD2  ARG  66           HD2      ARG  66  11.924   5.709   1.375
  534    HD3  ARG  66           HD3      ARG  66  11.337   4.161   0.752
  535    HE   ARG  66           HE       ARG  66  14.205   4.308   0.575
  536   HH11  ARG  66          HH11      ARG  66  11.545   3.832   2.865
  537   HH12  ARG  66          HH12      ARG  66  12.505   2.877   3.965
  538   HH21  ARG  66          HH21      ARG  66  15.441   3.074   2.050
  539   HH22  ARG  66          HH22      ARG  66  14.698   2.464   3.513
  540    H    ASP  67           H        ASP  67   9.220   4.841  -0.987
  541    HA   ASP  67           HA       ASP  67   8.997   2.670   0.983
  542    HB2  ASP  67           HB2      ASP  67   7.452   5.260   0.599
  543    HB3  ASP  67           HB3      ASP  67   7.206   4.126   1.932
  544    H    ALA  68           H        ALA  68   7.511   3.605  -2.075
  545    HA   ALA  68           HA       ALA  68   5.040   2.201  -1.580
  546    HB1  ALA  68           HB1      ALA  68   6.451   3.263  -4.064
  547    HB2  ALA  68           HB2      ALA  68   4.838   2.534  -4.097
  548    HB3  ALA  68           HB3      ALA  68   5.099   4.026  -3.172
  549    H    GLU  69           H        GLU  69   8.173   1.468  -3.189
  550    HA   GLU  69           HA       GLU  69   7.279  -1.182  -4.008
  551    HB2  GLU  69           HB2      GLU  69   9.649  -1.504  -4.638
  552    HB3  GLU  69           HB3      GLU  69   8.944  -0.038  -5.349
  553    HG2  GLU  69           HG2      GLU  69  10.030   1.367  -3.689
  554    HG3  GLU  69           HG3      GLU  69  10.598  -0.043  -2.797
  555    H    ASP  70           H        ASP  70   8.685   0.171  -1.055
  556    HA   ASP  70           HA       ASP  70   9.516  -2.452  -0.096
  557    HB2  ASP  70           HB2      ASP  70  10.449  -0.290   0.731
  558    HB3  ASP  70           HB3      ASP  70   8.874   0.122   1.413
  559    H    ALA  71           H        ALA  71   6.563  -0.399   0.217
  560    HA   ALA  71           HA       ALA  71   5.302  -2.059   2.157
  561    HB1  ALA  71           HB1      ALA  71   4.070  -0.253   0.030
  562    HB2  ALA  71           HB2      ALA  71   3.256  -0.859   1.490
  563    HB3  ALA  71           HB3      ALA  71   4.623   0.268   1.643
  564    H    MET  72           H        MET  72   5.445  -2.279  -1.424
  565    HA   MET  72           HA       MET  72   3.384  -4.324  -1.481
  566    HB2  MET  72           HB2      MET  72   3.773  -4.461  -3.779
  567    HB3  MET  72           HB3      MET  72   4.116  -2.759  -3.374
  568    HG2  MET  72           HG2      MET  72   6.509  -3.236  -3.354
  569    HG3  MET  72           HG3      MET  72   6.202  -4.944  -3.745
  570    HE1  MET  72           HE1      MET  72   5.545  -1.330  -4.832
  571    HE2  MET  72           HE2      MET  72   5.197  -1.467  -6.586
  572    HE3  MET  72           HE3      MET  72   4.036  -2.080  -5.374
  573    H    ASP  73           H        ASP  73   6.912  -4.209  -1.481
  574    HA   ASP  73           HA       ASP  73   7.283  -7.071  -1.689
  575    HB2  ASP  73           HB2      ASP  73   8.897  -5.341  -2.487
  576    HB3  ASP  73           HB3      ASP  73   9.221  -4.902  -0.798
  577    H    ALA  74           H        ALA  74   5.963  -5.350   0.863
  578    HA   ALA  74           HA       ALA  74   7.211  -7.205   2.823
  579    HB1  ALA  74           HB1      ALA  74   6.513  -4.281   3.171
  580    HB2  ALA  74           HB2      ALA  74   7.165  -5.348   4.445
  581    HB3  ALA  74           HB3      ALA  74   8.156  -4.937   3.013
  582    H    MET  75           H        MET  75   4.269  -6.151   1.404
  583    HA   MET  75           HA       MET  75   2.887  -7.525   3.659
  584    HB2  MET  75           HB2      MET  75   2.816  -4.871   3.652
  585    HB3  MET  75           HB3      MET  75   1.534  -5.150   2.446
  586    HG2  MET  75           HG2      MET  75   0.584  -6.864   4.104
  587    HG3  MET  75           HG3      MET  75   1.706  -6.180   5.287
  588    HE1  MET  75           HE1      MET  75   1.676  -3.147   4.372
  589    HE2  MET  75           HE2      MET  75   0.408  -2.429   5.387
  590    HE3  MET  75           HE3      MET  75   1.561  -3.588   6.090
  591    H    ASP  76           H        ASP  76   2.860  -6.777   0.149
  592    HA   ASP  76           HA       ASP  76   0.181  -7.654  -0.244
  593    HB2  ASP  76           HB2      ASP  76   0.927  -6.560  -2.089
  594    HB3  ASP  76           HB3      ASP  76   2.573  -7.177  -1.957
  595    H    GLY  77           H        GLY  77  -0.755  -9.544  -0.560
  596    HA2  GLY  77           HA2      GLY  77  -1.067 -11.810  -0.812
  597    HA3  GLY  77           HA3      GLY  77   0.653 -11.969  -1.208
  598    H    ALA  78           H        ALA  78   0.219 -10.386   1.829
  599    HA   ALA  78           HA       ALA  78   1.264 -12.764   3.161
  600    HB1  ALA  78           HB1      ALA  78   0.683  -9.950   4.203
  601    HB2  ALA  78           HB2      ALA  78   1.632 -11.194   5.048
  602    HB3  ALA  78           HB3      ALA  78   2.232 -10.490   3.529
  603    H    VAL  79           H        VAL  79  -1.468 -12.927   2.225
  604    HA   VAL  79           HA       VAL  79  -3.388 -12.344   4.177
  605    HB   VAL  79           HB       VAL  79  -4.806 -13.433   2.665
  606   HG11  VAL  79          HG11      VAL  79  -2.559 -12.260   0.972
  607   HG12  VAL  79          HG12      VAL  79  -4.295 -12.295   0.602
  608   HG13  VAL  79          HG13      VAL  79  -3.710 -11.302   1.942
  609   HG21  VAL  79          HG21      VAL  79  -3.670 -15.567   2.328
  610   HG22  VAL  79          HG22      VAL  79  -4.052 -14.825   0.774
  611   HG23  VAL  79          HG23      VAL  79  -2.381 -14.756   1.394
  612    H    LEU  80           H        LEU  80  -5.005 -14.191   4.829
  613    HA   LEU  80           HA       LEU  80  -3.498 -16.579   5.732
  614    HB2  LEU  80           HB2      LEU  80  -3.794 -16.307   7.992
  615    HB3  LEU  80           HB3      LEU  80  -3.386 -14.669   7.469
  616    HG   LEU  80           HG       LEU  80  -6.169 -15.755   8.118
  617   HD11  LEU  80          HD11      LEU  80  -6.048 -14.192   9.999
  618   HD12  LEU  80          HD12      LEU  80  -4.704 -15.353  10.063
  619   HD13  LEU  80          HD13      LEU  80  -4.417 -13.690   9.494
  620   HD21  LEU  80          HD21      LEU  80  -6.346 -14.066   6.330
  621   HD22  LEU  80          HD22      LEU  80  -6.940 -13.428   7.873
  622   HD23  LEU  80          HD23      LEU  80  -5.327 -12.956   7.284
  623    H    ASP  81           H        ASP  81  -6.314 -15.455   4.330
  624    HA   ASP  81           HA       ASP  81  -7.658 -17.991   5.040
  625    HB2  ASP  81           HB2      ASP  81  -8.440 -16.224   6.627
  626    HB3  ASP  81           HB3      ASP  81  -9.011 -15.268   5.256
  627    H    GLY  82           H        GLY  82  -6.491 -16.123   2.682
  628    HA2  GLY  82           HA2      GLY  82  -7.039 -17.180   0.429
  629    HA3  GLY  82           HA3      GLY  82  -8.706 -16.629   0.746
  630    H    ARG  83           H        ARG  83  -7.700 -14.148   2.175
  631    HA   ARG  83           HA       ARG  83  -6.118 -12.737   0.174
  632    HB2  ARG  83           HB2      ARG  83  -7.707 -11.225  -0.527
  633    HB3  ARG  83           HB3      ARG  83  -8.668 -12.709  -0.481
  634    HG2  ARG  83           HG2      ARG  83  -9.520 -12.081   1.770
  635    HG3  ARG  83           HG3      ARG  83  -8.470 -10.635   1.755
  636    HD2  ARG  83           HD2      ARG  83 -10.569  -9.857   1.149
  637    HD3  ARG  83           HD3      ARG  83  -9.548  -9.872  -0.301
  638    HE   ARG  83           HE       ARG  83 -11.638 -11.946   0.348
  639   HH11  ARG  83          HH11      ARG  83  -9.928  -9.990  -2.083
  640   HH12  ARG  83          HH12      ARG  83 -10.891 -10.625  -3.396
  641   HH21  ARG  83          HH21      ARG  83 -12.816 -12.747  -1.390
  642   HH22  ARG  83          HH22      ARG  83 -12.503 -12.177  -3.015
  643    H    GLU  84           H        GLU  84  -5.414 -10.702   0.993
  644    HA   GLU  84           HA       GLU  84  -6.647  -9.565   3.278
  645    HB2  GLU  84           HB2      GLU  84  -3.786 -10.474   3.709
  646    HB3  GLU  84           HB3      GLU  84  -4.516  -9.103   4.533
  647    HG2  GLU  84           HG2      GLU  84  -6.447 -10.660   5.183
  648    HG3  GLU  84           HG3      GLU  84  -5.309 -11.977   4.832
  649    H    LEU  85           H        LEU  85  -3.855  -9.561   0.990
  650    HA   LEU  85           HA       LEU  85  -4.248  -6.628   0.579
  651    HB2  LEU  85           HB2      LEU  85  -1.623  -8.121   1.048
  652    HB3  LEU  85           HB3      LEU  85  -1.727  -6.526   0.323
  653    HG   LEU  85           HG       LEU  85  -1.045  -6.193   2.500
  654   HD11  LEU  85          HD11      LEU  85  -2.800  -4.638   1.678
  655   HD12  LEU  85          HD12      LEU  85  -4.044  -5.637   2.451
  656   HD13  LEU  85          HD13      LEU  85  -2.841  -4.813   3.458
  657   HD21  LEU  85          HD21      LEU  85  -2.015  -7.052   4.479
  658   HD22  LEU  85          HD22      LEU  85  -3.414  -7.699   3.600
  659   HD23  LEU  85          HD23      LEU  85  -1.796  -8.423   3.362
  660    H    ARG  86           H        ARG  86  -3.710  -5.846  -1.344
  661    HA   ARG  86           HA       ARG  86  -2.063  -7.284  -3.270
  662    HB2  ARG  86           HB2      ARG  86  -4.968  -6.573  -3.851
  663    HB3  ARG  86           HB3      ARG  86  -3.747  -6.680  -5.125
  664    HG2  ARG  86           HG2      ARG  86  -4.636  -8.925  -3.289
  665    HG3  ARG  86           HG3      ARG  86  -4.944  -8.759  -5.031
  666    HD2  ARG  86           HD2      ARG  86  -2.457  -8.839  -5.427
  667    HD3  ARG  86           HD3      ARG  86  -2.235  -9.125  -3.689
  668    HE   ARG  86           HE       ARG  86  -4.032 -11.014  -4.989
  669   HH11  ARG  86          HH11      ARG  86  -0.707 -10.269  -4.014
  670   HH12  ARG  86          HH12      ARG  86  -0.189 -11.933  -4.087
  671   HH21  ARG  86          HH21      ARG  86  -3.315 -13.193  -5.062
  672   HH22  ARG  86          HH22      ARG  86  -1.666 -13.583  -4.645
  673    H    VAL  87           H        VAL  87  -0.554  -5.763  -3.409
  674    HA   VAL  87           HA       VAL  87  -1.399  -2.958  -3.929
  675    HB   VAL  87           HB       VAL  87  -0.957  -2.852  -1.640
  676   HG11  VAL  87          HG11      VAL  87   1.481  -4.571  -2.092
  677   HG12  VAL  87          HG12      VAL  87   1.082  -3.743  -0.563
  678   HG13  VAL  87          HG13      VAL  87  -0.010  -4.989  -1.187
  679   HG21  VAL  87          HG21      VAL  87   1.087  -1.533  -1.445
  680   HG22  VAL  87          HG22      VAL  87   1.708  -2.207  -2.970
  681   HG23  VAL  87          HG23      VAL  87   0.284  -1.143  -2.982
  682    H    GLN  88           H        GLN  88  -0.460  -2.054  -5.520
  683    HA   GLN  88           HA       GLN  88   2.173  -2.721  -6.621
  684    HB2  GLN  88           HB2      GLN  88  -0.462  -3.420  -7.990
  685    HB3  GLN  88           HB3      GLN  88   1.016  -3.107  -8.902
  686    HG2  GLN  88           HG2      GLN  88   0.687  -5.299  -6.832
  687    HG3  GLN  88           HG3      GLN  88   0.677  -5.490  -8.598
  688   HE21  GLN  88          HE22      GLN  88   2.639  -5.401  -5.795
  689   HE22  GLN  88          HE21      GLN  88   4.201  -5.402  -6.594
  690    H    MET  89           H        MET  89   2.062  -1.506  -8.938
  691    HA   MET  89           HA       MET  89   1.712   1.286  -8.148
  692    HB2  MET  89           HB2      MET  89   2.824  -0.131 -10.594
  693    HB3  MET  89           HB3      MET  89   2.870   1.639 -10.367
  694    HG2  MET  89           HG2      MET  89   3.897  -0.282  -8.245
  695    HG3  MET  89           HG3      MET  89   4.924   0.222  -9.573
  696    HE1  MET  89           HE1      MET  89   6.576   0.973  -7.582
  697    HE2  MET  89           HE2      MET  89   6.147   2.176  -6.338
  698    HE3  MET  89           HE3      MET  89   5.348   0.583  -6.356
  699    H    ALA  90           H        ALA  90   0.308   2.760  -9.049
  700    HA   ALA  90           HA       ALA  90  -2.182   1.752 -10.056
  701    HB1  ALA  90           HB1      ALA  90  -2.763   4.150 -10.226
  702    HB2  ALA  90           HB2      ALA  90  -1.981   3.796  -8.677
  703    HB3  ALA  90           HB3      ALA  90  -1.056   4.581  -9.981
  704    H    ARG  91           H        ARG  91  -3.178   2.206 -12.090
  705    HA   ARG  91           HA       ARG  91  -1.438   3.061 -14.340
  706    HB2  ARG  91           HB2      ARG  91  -3.213   0.593 -14.267
  707    HB3  ARG  91           HB3      ARG  91  -2.449   1.225 -15.725
  708    HG2  ARG  91           HG2      ARG  91  -0.813   0.323 -13.327
  709    HG3  ARG  91           HG3      ARG  91  -1.324  -0.754 -14.630
  710    HD2  ARG  91           HD2      ARG  91   0.874  -0.062 -15.178
  711    HD3  ARG  91           HD3      ARG  91  -0.228   0.776 -16.282
  712    HE   ARG  91           HE       ARG  91   0.460   2.288 -13.874
  713   HH11  ARG  91          HH11      ARG  91   1.414   1.541 -17.191
  714   HH12  ARG  91          HH12      ARG  91   2.348   3.007 -17.383
  715   HH21  ARG  91          HH21      ARG  91   1.652   4.203 -14.152
  716   HH22  ARG  91          HH22      ARG  91   2.479   4.514 -15.663
  717    H    TYR  92           H        TYR  92  -3.987   3.832 -12.556
  718    HA   TYR  92           HA       TYR  92  -5.521   4.883 -14.885
  719    HB2  TYR  92           HB2      TYR  92  -6.688   3.829 -12.317
  720    HB3  TYR  92           HB3      TYR  92  -7.589   4.589 -13.637
  721    HD1  TYR  92           HD2      TYR  92  -6.372   3.226 -16.021
  722    HD2  TYR  92           HD1      TYR  92  -7.559   1.702 -12.183
  723    HE1  TYR  92           HE2      TYR  92  -6.695   0.982 -17.021
  724    HE2  TYR  92           HE1      TYR  92  -7.892  -0.553 -13.168
  725    HH   TYR  92           HH       TYR  92  -7.791  -1.828 -15.079
  726    H    GLY  93           H        GLY  93  -7.119   6.713 -13.884
  727    HA2  GLY  93           HA2      GLY  93  -5.372   8.422 -12.168
  728    HA3  GLY  93           HA3      GLY  93  -6.139   9.017 -13.642
  729    H    ARG  94           H        ARG  94  -6.630  10.497 -11.573
  730    HA   ARG  94           HA       ARG  94  -8.701   9.786  -9.791
  731    HB2  ARG  94           HB2      ARG  94  -8.825  12.215  -9.367
  732    HB3  ARG  94           HB3      ARG  94  -7.148  11.668  -9.482
  733    HG2  ARG  94           HG2      ARG  94  -7.042  12.478 -11.830
  734    HG3  ARG  94           HG3      ARG  94  -8.727  13.034 -11.704
  735    HD2  ARG  94           HD2      ARG  94  -8.065  14.518  -9.824
  736    HD3  ARG  94           HD3      ARG  94  -6.388  13.975  -9.995
  737    HE   ARG  94           HE       ARG  94  -7.251  14.921 -12.526
  738   HH11  ARG  94          HH11      ARG  94  -6.594  16.182  -9.285
  739   HH12  ARG  94          HH12      ARG  94  -6.146  17.767  -9.868
  740   HH21  ARG  94          HH21      ARG  94  -6.651  17.004 -13.256
  741   HH22  ARG  94          HH22      ARG  94  -6.191  18.232 -12.104
  742    HA   PRO  95           HA       PRO  95 -12.692   9.700 -11.422
  743    HB2  PRO  95           HB2      PRO  95 -12.917  12.459 -10.198
  744    HB3  PRO  95           HB3      PRO  95 -14.214  11.227 -10.362
  745    HG2  PRO  95           HG2      PRO  95 -12.770  11.315  -8.081
  746    HG3  PRO  95           HG3      PRO  95 -13.036   9.730  -8.852
  747    HD2  PRO  95           HD2      PRO  95 -10.567  11.413  -8.826
  748    HD3  PRO  95           HD3      PRO  95 -10.711   9.641  -8.912
  749    HA   PRO  96           HA       PRO  96 -12.384  12.132 -15.266
  750    HB2  PRO  96           HB2      PRO  96 -12.628  10.088 -17.015
  751    HB3  PRO  96           HB3      PRO  96 -11.068  10.375 -16.172
  752    HG2  PRO  96           HG2      PRO  96 -13.242   8.380 -15.468
  753    HG3  PRO  96           HG3      PRO  96 -11.482   8.092 -15.576
  754    HD2  PRO  96           HD2      PRO  96 -12.833   8.639 -13.216
  755    HD3  PRO  96           HD3      PRO  96 -11.112   9.041 -13.484
  756    H    ASP  97           H        ASP  97 -14.439   9.612 -13.972
  757    HA   ASP  97           HA       ASP  97 -16.910  10.959 -14.702
  758    HB2  ASP  97           HB2      ASP  97 -16.330   9.560 -16.738
  759    HB3  ASP  97           HB3      ASP  97 -16.342   8.130 -15.696
  760    H    SER  98           H        SER  98 -18.768   9.123 -13.829
  761    HA   SER  98           HA       SER  98 -18.163   9.009 -11.034
  762    HB2  SER  98           HB2      SER  98 -20.312   7.477 -12.528
  763    HB3  SER  98           HB3      SER  98 -20.238   7.809 -10.789
  764    HG   SER  98           HG       SER  98 -21.596   9.273 -12.025
  765    H    HIS  99           H        HIS  99 -17.810   6.526 -13.619
  766    HA   HIS  99           HA       HIS  99 -16.378   4.843 -11.769
  767    HB2  HIS  99           HB2      HIS  99 -17.994   3.026 -11.559
  768    HB3  HIS  99           HB3      HIS  99 -18.661   4.507 -10.880
  769    HD2  HIS  99           HD2      HIS  99 -19.239   1.942 -13.639
  770    HE1  HIS  99           HE1      HIS  99 -22.385   4.783 -14.005
  771    HE2  HIS  99           HE2      HIS  99 -21.530   2.516 -14.784
  772    H    HIS 100           H        HIS 100 -16.514   5.928 -14.697
  773    HA   HIS 100           HA       HIS 100 -15.631   3.394 -15.936
  774    HB2  HIS 100           HB2      HIS 100 -18.070   3.674 -16.387
  775    HB3  HIS 100           HB3      HIS 100 -17.731   5.219 -17.171
  776    HD2  HIS 100           HD2      HIS 100 -16.486   1.509 -17.536
  777    HE1  HIS 100           HE1      HIS 100 -16.886   3.138 -21.444
  778    HE2  HIS 100           HE2      HIS 100 -16.287   1.054 -20.103
  779    H    SER 101           H        SER 101 -14.741   3.893 -18.213
  780    HA   SER 101           HA       SER 101 -13.513   6.575 -18.426
  781    HB2  SER 101           HB2      SER 101 -11.924   3.978 -18.272
  782    HB3  SER 101           HB3      SER 101 -11.268   5.567 -18.710
  783    HG   SER 101           HG       SER 101 -10.984   5.054 -16.483
  784    H5'    U 102           H5'        U 102 -12.200  -5.403 -11.934
  785   H5''    U 102          H5''        U 102 -13.624  -4.347 -11.926
  786    H4'    U 102           H4'        U 102 -11.013  -3.727 -10.460
  787    H3'    U 102           H3'        U 102 -12.641  -5.781  -9.709
  788    H2'    U 102           H2'        U 102 -14.675  -4.565  -9.882
  789   HO2'    U 102          HO2'        U 102 -13.726  -4.314  -7.211
  790    H1'    U 102           H1'        U 102 -13.453  -2.242  -8.416
  791    H3     U 102           H3         U 102 -16.579  -0.680 -12.322
  792    H5     U 102           H5         U 102 -18.011  -1.355  -8.426
  793    H6     U 102           H6         U 102 -15.842  -2.359  -7.893
  794   HO5'    U 102          HO5'        U 102 -12.310  -2.704 -12.810
  795    H5'    G 103           H5'        G 103  -8.925  -2.921  -6.577
  796   H5''    G 103          H5''        G 103 -10.585  -2.420  -6.949
  797    H4'    G 103           H4'        G 103  -9.040  -0.511  -6.946
  798    H3'    G 103           H3'        G 103 -10.412  -1.262  -9.502
  799    H2'    G 103           H2'        G 103  -8.900  -0.176 -10.742
  800   HO2'    G 103          HO2'        G 103 -10.016   1.762 -10.115
  801    H1'    G 103           H1'        G 103  -7.383   0.761  -8.321
  802    H8     G 103           H8         G 103  -5.757   1.921  -9.988
  803    H1     G 103           H1         G 103  -4.671  -3.637 -13.038
  804    H21    G 103           H21        G 103  -6.153  -5.156 -12.357
  805    H22    G 103           H22        G 103  -7.352  -4.786 -11.134
  806    H5'    G 104           H5'        G 104 -10.639   3.583  -9.170
  807   H5''    G 104          H5''        G 104 -10.215   2.841  -7.604
  808    H4'    G 104           H4'        G 104 -12.301   4.447  -6.877
  809    H3'    G 104           H3'        G 104 -10.861   5.836  -9.156
  810    H2'    G 104           H2'        G 104 -11.319   7.864  -7.996
  811   HO2'    G 104          HO2'        G 104 -13.483   7.270  -7.378
  812    H1'    G 104           H1'        G 104 -10.615   6.909  -5.547
  813    H8     G 104           H8         G 104  -9.042   8.948  -5.987
  814    H1     G 104           H1         G 104  -5.861   5.741 -10.543
  815    H21    G 104           H21        G 104  -6.744   3.693 -10.756
  816    H22    G 104           H22        G 104  -8.166   3.210  -9.854
  817    H5'    A 105           H5'        A 105 -15.946   8.122 -10.219
  818   H5''    A 105          H5''        A 105 -14.767   9.400  -9.950
  819    H4'    A 105           H4'        A 105 -16.436  10.235  -8.661
  820    H3'    A 105           H3'        A 105 -14.620   9.321  -6.901
  821    H2'    A 105           H2'        A 105 -15.309   7.018  -6.901
  822   HO2'    A 105          HO2'        A 105 -15.511   8.047  -4.737
  823    H1'    A 105           H1'        A 105 -18.204   7.681  -6.625
  824    H8     A 105           H8         A 105 -15.576   5.822  -8.625
  825    H61    A 105           H61        A 105 -19.751   1.222  -8.881
  826    H62    A 105           H62        A 105 -18.057   1.616  -9.100
  827    H2     A 105           H2         A 105 -21.722   4.900  -7.336
  828    H5'    G 106           H5'        G 106 -16.825  10.808  -3.551
  829   H5''    G 106          H5''        G 106 -17.766  12.254  -3.943
  830    H4'    G 106           H4'        G 106 -16.850  12.239  -1.629
  831    H3'    G 106           H3'        G 106 -17.106  14.458  -3.206
  832    H2'    G 106           H2'        G 106 -15.104  14.097  -4.344
  833   HO2'    G 106          HO2'        G 106 -14.431  15.940  -2.303
  834    H1'    G 106           H1'        G 106 -13.584  13.751  -1.743
  835    H8     G 106           H8         G 106 -13.853  13.228  -5.506
  836    H1     G 106           H1         G 106  -8.523  10.792  -2.882
  837    H21    G 106           H21        G 106  -8.670  10.903  -0.655
  838    H22    G 106           H22        G 106 -10.092  11.549   0.136
  839    H5'    U 107           H5'        U 107 -18.749  17.194   0.653
  840   H5''    U 107          H5''        U 107 -18.838  17.977  -0.930
  841    H4'    U 107           H4'        U 107 -16.355  16.949   0.504
  842    H3'    U 107           H3'        U 107 -17.470  19.424   0.792
  843   HO3'    U 107          HO3'        U 107 -15.346  20.206   0.974
  844    H2'    U 107           H2'        U 107 -17.794  19.671  -1.521
  845   HO2'    U 107          HO2'        U 107 -16.816  21.568  -0.712
  846    H1'    U 107           H1'        U 107 -14.891  18.899  -1.994
  847    H3     U 107           H3         U 107 -15.219  19.296  -6.489
  848    H5     U 107           H5         U 107 -19.139  18.318  -5.335
  849    H6     U 107           H6         U 107 -18.368  18.258  -3.024
  Start of MODEL    6
    1    H    MET   1           H1       MET   1 -18.463  15.180   1.007
    2    HA   MET   1           HA       MET   1 -18.500  13.460   2.636
    3    HB2  MET   1           HB2      MET   1 -17.620  12.412  -0.084
    4    HB3  MET   1           HB3      MET   1 -18.480  11.494   1.157
    5    HG2  MET   1           HG2      MET   1 -19.522  13.992  -0.238
    6    HG3  MET   1           HG3      MET   1 -20.009  12.340  -0.589
    7    HE1  MET   1           HE1      MET   1 -22.035  14.699  -0.021
    8    HE2  MET   1           HE2      MET   1 -22.529  13.027  -0.376
    9    HE3  MET   1           HE3      MET   1 -23.213  13.875   1.028
   10    H    SER   2           H        SER   2 -15.449  13.299   0.686
   11    HA   SER   2           HA       SER   2 -14.027  12.477   3.148
   12    HB2  SER   2           HB2      SER   2 -13.925  10.934   0.523
   13    HB3  SER   2           HB3      SER   2 -12.933  10.616   1.961
   14    HG   SER   2           HG       SER   2 -14.754   9.254   1.865
   15    H    TYR   3           H        TYR   3 -12.211  13.591   3.311
   16    HA   TYR   3           HA       TYR   3 -10.460  14.933   2.948
   17    HB2  TYR   3           HB2      TYR   3 -10.493  13.446   0.314
   18    HB3  TYR   3           HB3      TYR   3  -9.282  14.658   0.685
   19    HD1  TYR   3           HD2      TYR   3 -10.672  11.406   1.801
   20    HD2  TYR   3           HD1      TYR   3  -7.473  14.238   2.105
   21    HE1  TYR   3           HE2      TYR   3  -9.298   9.709   3.014
   22    HE2  TYR   3           HE1      TYR   3  -6.078  12.554   3.323
   23    HH   TYR   3           HH       TYR   3  -5.978  10.431   4.149
   24    H    GLY   4           H        GLY   4 -13.003  15.241   0.513
   25    HA2  GLY   4           HA2      GLY   4 -13.921  17.223  -0.295
   26    HA3  GLY   4           HA3      GLY   4 -12.574  18.130   0.451
   27    H    ARG   5           H        ARG   5 -10.482  17.937  -0.537
   28    HA   ARG   5           HA       ARG   5  -9.758  16.826  -2.959
   29    HB2  ARG   5           HB2      ARG   5  -9.990  18.734  -4.571
   30    HB3  ARG   5           HB3      ARG   5 -11.335  17.634  -4.310
   31    HG2  ARG   5           HG2      ARG   5 -12.495  19.244  -2.911
   32    HG3  ARG   5           HG3      ARG   5 -11.128  20.393  -3.040
   33    HD2  ARG   5           HD2      ARG   5 -12.595  19.150  -5.380
   34    HD3  ARG   5           HD3      ARG   5 -13.087  20.712  -4.674
   35    HE   ARG   5           HE       ARG   5 -10.423  21.094  -5.209
   36   HH11  ARG   5          HH11      ARG   5 -13.132  19.989  -7.208
   37   HH12  ARG   5          HH12      ARG   5 -12.456  20.652  -8.677
   38   HH21  ARG   5          HH21      ARG   5  -9.577  21.925  -7.140
   39   HH22  ARG   5          HH22      ARG   5 -10.448  21.732  -8.644
   40    HA   PRO   6           HA       PRO   6  -6.604  19.396  -0.640
   41    HB2  PRO   6           HB2      PRO   6  -5.216  16.763  -1.106
   42    HB3  PRO   6           HB3      PRO   6  -5.124  17.839   0.323
   43    HG2  PRO   6           HG2      PRO   6  -6.609  15.574   0.382
   44    HG3  PRO   6           HG3      PRO   6  -7.258  17.093   1.092
   45    HD2  PRO   6           HD2      PRO   6  -7.876  15.874  -1.609
   46    HD3  PRO   6           HD3      PRO   6  -8.986  16.594  -0.408
   47    HA   PRO   7           HA       PRO   7  -4.163  19.667  -4.497
   48    HB2  PRO   7           HB2      PRO   7  -2.317  21.490  -3.763
   49    HB3  PRO   7           HB3      PRO   7  -4.057  21.900  -3.584
   50    HG2  PRO   7           HG2      PRO   7  -2.146  20.881  -1.439
   51    HG3  PRO   7           HG3      PRO   7  -3.301  22.250  -1.345
   52    HD2  PRO   7           HD2      PRO   7  -3.802  19.600  -0.509
   53    HD3  PRO   7           HD3      PRO   7  -5.054  20.823  -0.868
   54    HA   PRO   8           HA       PRO   8  -0.867  16.690  -3.018
   55    HB2  PRO   8           HB2      PRO   8  -1.611  14.470  -4.366
   56    HB3  PRO   8           HB3      PRO   8  -2.485  14.968  -2.880
   57    HG2  PRO   8           HG2      PRO   8  -3.252  15.644  -5.752
   58    HG3  PRO   8           HG3      PRO   8  -4.275  14.824  -4.519
   59    HD2  PRO   8           HD2      PRO   8  -4.405  17.489  -4.910
   60    HD3  PRO   8           HD3      PRO   8  -4.456  16.787  -3.248
   61    H    ASP   9           H        ASP   9   0.206  15.032  -4.916
   62    HA   ASP   9           HA       ASP   9   0.616  16.684  -7.350
   63    HB2  ASP   9           HB2      ASP   9   2.410  17.111  -5.654
   64    HB3  ASP   9           HB3      ASP   9   2.808  15.391  -5.685
   65    H    VAL  10           H        VAL  10  -1.082  14.413  -6.912
   66    HA   VAL  10           HA       VAL  10   0.008  11.945  -7.666
   67    HB   VAL  10           HB       VAL  10  -2.270  11.340  -8.336
   68   HG11  VAL  10          HG11      VAL  10  -3.430  11.860  -6.236
   69   HG12  VAL  10          HG12      VAL  10  -1.743  11.416  -5.933
   70   HG13  VAL  10          HG13      VAL  10  -2.237  13.121  -5.865
   71   HG21  VAL  10          HG21      VAL  10  -2.897  13.428  -9.531
   72   HG22  VAL  10          HG22      VAL  10  -4.088  13.006  -8.286
   73   HG23  VAL  10          HG23      VAL  10  -2.920  14.304  -7.981
   74    H    GLU  11           H        GLU  11  -0.147  14.789  -9.543
   75    HA   GLU  11           HA       GLU  11  -0.381  13.584 -12.159
   76    HB2  GLU  11           HB2      GLU  11   0.322  15.831 -12.918
   77    HB3  GLU  11           HB3      GLU  11  -0.957  15.936 -11.686
   78    HG2  GLU  11           HG2      GLU  11   0.724  16.413  -9.953
   79    HG3  GLU  11           HG3      GLU  11   2.024  16.264 -11.150
   80    H    GLY  12           H        GLY  12   2.080  13.430  -9.851
   81    HA2  GLY  12           HA2      GLY  12   3.971  12.404 -11.862
   82    HA3  GLY  12           HA3      GLY  12   4.501  13.834 -10.957
   83    H    MET  13           H        MET  13   2.714  12.398  -8.650
   84    HA   MET  13           HA       MET  13   4.844  11.272  -7.163
   85    HB2  MET  13           HB2      MET  13   1.826  11.147  -7.103
   86    HB3  MET  13           HB3      MET  13   2.774  10.215  -5.934
   87    HG2  MET  13           HG2      MET  13   3.773  12.138  -5.005
   88    HG3  MET  13           HG3      MET  13   3.307  13.159  -6.358
   89    HE1  MET  13           HE1      MET  13  -0.212  11.539  -3.838
   90    HE2  MET  13           HE2      MET  13   0.363  10.874  -5.379
   91    HE3  MET  13           HE3      MET  13   1.343  10.682  -3.896
   92    H    THR  14           H        THR  14   5.048   9.011  -6.440
   93    HA   THR  14           HA       THR  14   5.216   7.129  -8.572
   94    HB   THR  14           HB       THR  14   5.316   6.919  -5.544
   95   HG21  THR  14          HG21      THR  14   5.654   4.693  -7.593
   96   HG22  THR  14          HG22      THR  14   6.121   4.584  -5.870
   97   HG23  THR  14          HG23      THR  14   4.421   4.767  -6.319
   98    H    SER  15           H        SER  15   2.579   8.082  -6.511
   99    HA   SER  15           HA       SER  15   0.483   7.305  -6.203
  100    HB2  SER  15           HB2      SER  15   0.477   8.442  -8.400
  101    HB3  SER  15           HB3      SER  15   0.690   6.861  -9.195
  102    HG   SER  15           HG       SER  15  -1.258   6.209  -8.273
  103    H    LEU  16           H        LEU  16   1.935   5.316  -5.209
  104    HA   LEU  16           HA       LEU  16   1.453   2.738  -6.403
  105    HB2  LEU  16           HB2      LEU  16   2.913   3.256  -4.352
  106    HB3  LEU  16           HB3      LEU  16   1.394   3.369  -3.434
  107    HG   LEU  16           HG       LEU  16   0.861   0.994  -4.186
  108   HD11  LEU  16          HD11      LEU  16   3.834   0.981  -4.854
  109   HD12  LEU  16          HD12      LEU  16   2.725  -0.401  -4.909
  110   HD13  LEU  16          HD13      LEU  16   2.538   0.934  -6.070
  111   HD21  LEU  16          HD21      LEU  16   1.606   1.489  -1.937
  112   HD22  LEU  16          HD22      LEU  16   2.405   0.002  -2.507
  113   HD23  LEU  16          HD23      LEU  16   3.304   1.530  -2.467
  114    H    LYS  17           H        LYS  17  -0.321   1.177  -5.782
  115    HA   LYS  17           HA       LYS  17  -2.601   2.439  -4.421
  116    HB2  LYS  17           HB2      LYS  17  -4.173   1.982  -6.154
  117    HB3  LYS  17           HB3      LYS  17  -2.818   2.865  -6.862
  118    HG2  LYS  17           HG2      LYS  17  -3.007   1.216  -8.461
  119    HG3  LYS  17           HG3      LYS  17  -1.957   0.329  -7.330
  120    HD2  LYS  17           HD2      LYS  17  -4.248  -0.363  -6.212
  121    HD3  LYS  17           HD3      LYS  17  -4.950   0.160  -7.750
  122    HE2  LYS  17           HE2      LYS  17  -3.428  -1.456  -8.936
  123    HE3  LYS  17           HE3      LYS  17  -2.758  -1.945  -7.372
  124    HZ1  LYS  17           HZ1      LYS  17  -5.523  -2.302  -8.287
  125    HZ2  LYS  17           HZ2      LYS  17  -4.420  -3.484  -7.974
  126    HZ3  LYS  17           HZ3      LYS  17  -5.047  -2.567  -6.750
  127    H    VAL  18           H        VAL  18  -3.837   1.038  -3.234
  128    HA   VAL  18           HA       VAL  18  -3.227  -1.873  -3.438
  129    HB   VAL  18           HB       VAL  18  -1.847  -1.090  -1.630
  130   HG11  VAL  18          HG11      VAL  18  -4.356   0.143  -0.468
  131   HG12  VAL  18          HG12      VAL  18  -2.768   0.056   0.332
  132   HG13  VAL  18          HG13      VAL  18  -2.952   1.024  -1.150
  133   HG21  VAL  18          HG21      VAL  18  -4.385  -2.294  -0.425
  134   HG22  VAL  18          HG22      VAL  18  -3.164  -3.225  -1.325
  135   HG23  VAL  18          HG23      VAL  18  -2.737  -2.425   0.206
  136    H    ASP  19           H        ASP  19  -4.817  -3.238  -2.722
  137    HA   ASP  19           HA       ASP  19  -7.503  -2.228  -2.045
  138    HB2  ASP  19           HB2      ASP  19  -6.951  -3.894  -4.532
  139    HB3  ASP  19           HB3      ASP  19  -8.523  -3.281  -3.999
  140    H    ASN  20           H        ASN  20  -8.967  -4.445  -2.365
  141    HA   ASN  20           HA       ASN  20  -9.302  -6.663  -2.055
  142    HB2  ASN  20           HB2      ASN  20  -6.687  -6.764  -2.675
  143    HB3  ASN  20           HB3      ASN  20  -6.586  -7.293  -0.982
  144   HD21  ASN  20          HD22      ASN  20  -6.053  -9.372  -1.294
  145   HD22  ASN  20          HD21      ASN  20  -6.999 -10.520  -2.230
  146    H    LEU  21           H        LEU  21  -9.543  -4.483  -0.087
  147    HA   LEU  21           HA       LEU  21  -8.809  -5.110   2.530
  148    HB2  LEU  21           HB2      LEU  21 -11.264  -3.768   1.352
  149    HB3  LEU  21           HB3      LEU  21 -11.010  -3.875   3.079
  150    HG   LEU  21           HG       LEU  21 -10.305  -1.717   1.816
  151   HD11  LEU  21          HD11      LEU  21  -8.430  -3.060   3.787
  152   HD12  LEU  21          HD12      LEU  21  -8.607  -1.308   3.498
  153   HD13  LEU  21          HD13      LEU  21  -9.950  -2.224   4.201
  154   HD21  LEU  21          HD21      LEU  21  -8.819  -2.763   0.111
  155   HD22  LEU  21          HD22      LEU  21  -7.938  -1.635   1.153
  156   HD23  LEU  21          HD23      LEU  21  -7.776  -3.373   1.424
  157    H    THR  22           H        THR  22  -9.316  -6.683   3.899
  158    HA   THR  22           HA       THR  22 -11.195  -8.718   3.108
  159    HB   THR  22           HB       THR  22  -9.786  -8.386   5.790
  160   HG21  THR  22          HG21      THR  22 -11.266 -10.250   5.897
  161   HG22  THR  22          HG22      THR  22 -10.904 -10.732   4.220
  162   HG23  THR  22          HG23      THR  22  -9.686 -10.958   5.484
  163    H    TYR  23           H        TYR  23 -12.790  -9.538   4.867
  164    HA   TYR  23           HA       TYR  23 -14.867  -7.633   5.069
  165    HB2  TYR  23           HB2      TYR  23 -16.040  -9.449   6.241
  166    HB3  TYR  23           HB3      TYR  23 -15.207 -10.020   4.792
  167    HD1  TYR  23           HD1      TYR  23 -15.201 -10.056   8.496
  168    HD2  TYR  23           HD2      TYR  23 -13.336 -11.547   4.920
  169    HE1  TYR  23           HE1      TYR  23 -14.029 -11.774   9.835
  170    HE2  TYR  23           HE2      TYR  23 -12.159 -13.280   6.251
  171    HH   TYR  23           HH       TYR  23 -12.558 -13.534   9.806
  172    H    ARG  24           H        ARG  24 -12.172  -7.423   6.925
  173    HA   ARG  24           HA       ARG  24 -13.711  -6.445   9.286
  174    HB2  ARG  24           HB2      ARG  24 -12.165  -7.498  10.775
  175    HB3  ARG  24           HB3      ARG  24 -12.691  -8.739   9.617
  176    HG2  ARG  24           HG2      ARG  24 -10.580  -8.130   8.257
  177    HG3  ARG  24           HG3      ARG  24 -10.054  -7.207   9.674
  178    HD2  ARG  24           HD2      ARG  24 -10.484  -9.363  11.019
  179    HD3  ARG  24           HD3      ARG  24 -10.560 -10.183   9.442
  180    HE   ARG  24           HE       ARG  24  -8.194  -9.112  10.804
  181   HH11  ARG  24          HH11      ARG  24  -9.548 -10.153   7.716
  182   HH12  ARG  24          HH12      ARG  24  -7.976 -10.340   6.963
  183   HH21  ARG  24          HH21      ARG  24  -6.155  -9.409   9.802
  184   HH22  ARG  24          HH22      ARG  24  -6.076  -9.918   8.137
  185    H    THR  25           H        THR  25 -12.160  -5.262   6.803
  186    HA   THR  25           HA       THR  25 -10.220  -3.619   8.365
  187    HB   THR  25           HB       THR  25 -10.069  -4.137   5.387
  188   HG21  THR  25          HG21      THR  25  -8.618  -2.325   6.252
  189   HG22  THR  25          HG22      THR  25  -8.059  -3.378   7.569
  190   HG23  THR  25          HG23      THR  25  -7.623  -3.742   5.883
  191    H    SER  26           H        SER  26  -9.794  -1.434   7.338
  192    HA   SER  26           HA       SER  26 -12.159  -0.138   6.136
  193    HB2  SER  26           HB2      SER  26 -12.451   1.349   8.067
  194    HB3  SER  26           HB3      SER  26 -12.529  -0.320   8.633
  195    HG   SER  26           HG       SER  26 -11.159   0.973   9.921
  196    HA   PRO  27           HA       PRO  27  -9.033   2.495   4.473
  197    HB2  PRO  27           HB2      PRO  27 -10.042   5.037   4.586
  198    HB3  PRO  27           HB3      PRO  27 -10.704   3.768   3.495
  199    HG2  PRO  27           HG2      PRO  27 -11.703   4.632   6.220
  200    HG3  PRO  27           HG3      PRO  27 -12.667   4.397   4.729
  201    HD2  PRO  27           HD2      PRO  27 -12.512   2.508   6.654
  202    HD3  PRO  27           HD3      PRO  27 -12.539   2.029   4.938
  203    H    ASP  28           H        ASP  28 -10.362   3.551   7.606
  204    HA   ASP  28           HA       ASP  28  -8.204   5.295   8.337
  205    HB2  ASP  28           HB2      ASP  28 -10.227   3.697   9.949
  206    HB3  ASP  28           HB3      ASP  28  -9.121   4.890  10.658
  207    H    THR  29           H        THR  29  -8.762   1.762   8.705
  208    HA   THR  29           HA       THR  29  -6.335   1.352  10.241
  209    HB   THR  29           HB       THR  29  -7.996  -0.564   8.547
  210   HG21  THR  29          HG21      THR  29  -5.755  -1.432   8.876
  211   HG22  THR  29          HG22      THR  29  -5.786  -1.006  10.602
  212   HG23  THR  29          HG23      THR  29  -6.851  -2.293   9.969
  213    H    LEU  30           H        LEU  30  -7.248   1.123   6.756
  214    HA   LEU  30           HA       LEU  30  -4.798   0.083   5.839
  215    HB2  LEU  30           HB2      LEU  30  -7.242   1.095   4.777
  216    HB3  LEU  30           HB3      LEU  30  -5.958   2.006   3.986
  217    HG   LEU  30           HG       LEU  30  -6.734  -0.088   2.792
  218   HD11  LEU  30          HD11      LEU  30  -4.579   0.853   2.213
  219   HD12  LEU  30          HD12      LEU  30  -3.822   0.064   3.623
  220   HD13  LEU  30          HD13      LEU  30  -4.443  -0.917   2.272
  221   HD21  LEU  30          HD21      LEU  30  -6.920  -1.466   4.925
  222   HD22  LEU  30          HD22      LEU  30  -6.106  -2.254   3.553
  223   HD23  LEU  30          HD23      LEU  30  -5.144  -1.607   4.890
  224    H    ARG  31           H        ARG  31  -5.536   3.260   7.064
  225    HA   ARG  31           HA       ARG  31  -3.258   4.545   5.740
  226    HB2  ARG  31           HB2      ARG  31  -5.252   5.853   6.320
  227    HB3  ARG  31           HB3      ARG  31  -5.091   5.384   8.023
  228    HG2  ARG  31           HG2      ARG  31  -4.251   7.689   7.606
  229    HG3  ARG  31           HG3      ARG  31  -2.989   6.614   8.219
  230    HD2  ARG  31           HD2      ARG  31  -2.147   6.287   5.897
  231    HD3  ARG  31           HD3      ARG  31  -3.404   7.379   5.299
  232    HE   ARG  31           HE       ARG  31  -1.297   8.216   7.264
  233   HH11  ARG  31          HH11      ARG  31  -3.152   8.859   4.309
  234   HH12  ARG  31          HH12      ARG  31  -2.342  10.385   4.026
  235   HH21  ARG  31          HH21      ARG  31  -0.330  10.175   6.890
  236   HH22  ARG  31          HH22      ARG  31  -0.773  11.157   5.506
  237    H    ARG  32           H        ARG  32  -4.056   3.676   9.182
  238    HA   ARG  32           HA       ARG  32  -1.383   4.296  10.037
  239    HB2  ARG  32           HB2      ARG  32  -2.101   3.446  12.194
  240    HB3  ARG  32           HB3      ARG  32  -3.380   4.420  11.460
  241    HG2  ARG  32           HG2      ARG  32  -4.620   2.656  12.246
  242    HG3  ARG  32           HG3      ARG  32  -4.296   2.107  10.605
  243    HD2  ARG  32           HD2      ARG  32  -3.923   0.249  12.050
  244    HD3  ARG  32           HD3      ARG  32  -2.311   0.786  11.576
  245    HE   ARG  32           HE       ARG  32  -3.645   1.243  14.213
  246   HH11  ARG  32          HH11      ARG  32  -0.666   1.296  12.274
  247   HH12  ARG  32          HH12      ARG  32   0.360   1.441  13.678
  248   HH21  ARG  32          HH21      ARG  32  -2.268   1.457  15.999
  249   HH22  ARG  32          HH22      ARG  32  -0.539   1.554  15.764
  250    H    VAL  33           H        VAL  33  -2.523   1.697   8.257
  251    HA   VAL  33           HA       VAL  33  -0.514  -0.207   9.338
  252    HB   VAL  33           HB       VAL  33  -2.792  -0.455   7.348
  253   HG11  VAL  33          HG11      VAL  33  -1.006  -1.903   6.577
  254   HG12  VAL  33          HG12      VAL  33  -0.764  -2.552   8.218
  255   HG13  VAL  33          HG13      VAL  33  -2.278  -2.884   7.332
  256   HG21  VAL  33          HG21      VAL  33  -2.251  -1.697  10.082
  257   HG22  VAL  33          HG22      VAL  33  -3.386  -0.363   9.762
  258   HG23  VAL  33          HG23      VAL  33  -3.690  -1.972   9.074
  259    H    PHE  34           H        PHE  34  -1.176   1.781   6.425
  260    HA   PHE  34           HA       PHE  34   1.316   0.700   5.208
  261    HB2  PHE  34           HB2      PHE  34  -1.143   2.101   4.202
  262    HB3  PHE  34           HB3      PHE  34   0.330   2.268   3.300
  263    HD1  PHE  34           HD1      PHE  34  -2.052  -0.262   4.651
  264    HD2  PHE  34           HD2      PHE  34   1.148   0.496   1.881
  265    HE1  PHE  34           HE1      PHE  34  -2.495  -2.430   3.539
  266    HE2  PHE  34           HE2      PHE  34   0.684  -1.666   0.752
  267    HZ   PHE  34           HZ       PHE  34  -1.126  -3.120   1.569
  268    H    GLU  35           H        GLU  35   0.244   3.385   7.092
  269    HA   GLU  35           HA       GLU  35   2.075   5.346   5.991
  270    HB2  GLU  35           HB2      GLU  35   0.083   6.008   7.195
  271    HB3  GLU  35           HB3      GLU  35   0.608   5.111   8.638
  272    HG2  GLU  35           HG2      GLU  35   2.465   6.632   8.969
  273    HG3  GLU  35           HG3      GLU  35   2.143   7.430   7.413
  274    H    LYS  36           H        LYS  36   2.424   2.634   8.242
  275    HA   LYS  36           HA       LYS  36   4.682   3.693   9.647
  276    HB2  LYS  36           HB2      LYS  36   4.982   1.422  10.455
  277    HB3  LYS  36           HB3      LYS  36   3.266   1.871  10.512
  278    HG2  LYS  36           HG2      LYS  36   2.892   0.618   8.391
  279    HG3  LYS  36           HG3      LYS  36   4.610   0.151   8.387
  280    HD2  LYS  36           HD2      LYS  36   4.307  -0.959  10.581
  281    HD3  LYS  36           HD3      LYS  36   2.582  -0.511  10.561
  282    HE2  LYS  36           HE2      LYS  36   2.271  -1.797   8.481
  283    HE3  LYS  36           HE3      LYS  36   3.991  -2.235   8.488
  284    HZ1  LYS  36           HZ1      LYS  36   3.622  -3.379  10.566
  285    HZ2  LYS  36           HZ2      LYS  36   2.031  -2.967  10.568
  286    HZ3  LYS  36           HZ3      LYS  36   2.626  -3.968   9.402
  287    H    TYR  37           H        TYR  37   4.342   2.178   6.521
  288    HA   TYR  37           HA       TYR  37   7.131   1.412   6.258
  289    HB2  TYR  37           HB2      TYR  37   4.925   1.833   4.217
  290    HB3  TYR  37           HB3      TYR  37   6.516   1.163   3.854
  291    HD1  TYR  37           HD2      TYR  37   3.325   0.538   5.654
  292    HD2  TYR  37           HD1      TYR  37   7.114  -1.091   4.425
  293    HE1  TYR  37           HE2      TYR  37   2.567  -1.724   6.304
  294    HE2  TYR  37           HE1      TYR  37   6.337  -3.369   5.048
  295    HH   TYR  37           HH       TYR  37   4.644  -4.622   5.931
  296    H    GLY  38           H        GLY  38   5.399   4.429   5.989
  297    HA2  GLY  38           HA2      GLY  38   7.696   5.997   5.912
  298    HA3  GLY  38           HA3      GLY  38   7.261   5.750   4.217
  299    H    ARG  39           H        ARG  39   5.253   6.548   3.405
  300    HA   ARG  39           HA       ARG  39   3.406   7.968   5.149
  301    HB2  ARG  39           HB2      ARG  39   3.624  10.110   3.889
  302    HB3  ARG  39           HB3      ARG  39   5.002   9.748   4.950
  303    HG2  ARG  39           HG2      ARG  39   6.347   9.041   3.038
  304    HG3  ARG  39           HG3      ARG  39   4.948   9.229   1.955
  305    HD2  ARG  39           HD2      ARG  39   6.309  11.223   1.727
  306    HD3  ARG  39           HD3      ARG  39   4.852  11.665   2.623
  307    HE   ARG  39           HE       ARG  39   6.137  12.000   4.560
  308   HH11  ARG  39          HH11      ARG  39   8.127  10.624   1.970
  309   HH12  ARG  39          HH12      ARG  39   9.625  10.950   2.804
  310   HH21  ARG  39          HH21      ARG  39   8.105  12.403   5.609
  311   HH22  ARG  39          HH22      ARG  39   9.620  11.960   4.851
  312    H    VAL  40           H        VAL  40   1.585   8.862   3.950
  313    HA   VAL  40           HA       VAL  40   1.034   7.351   1.441
  314    HB   VAL  40           HB       VAL  40  -0.584   7.456   4.021
  315   HG11  VAL  40          HG11      VAL  40  -1.381   6.256   1.338
  316   HG12  VAL  40          HG12      VAL  40  -2.275   6.093   2.863
  317   HG13  VAL  40          HG13      VAL  40  -2.121   7.688   2.112
  318   HG21  VAL  40          HG21      VAL  40   1.204   5.751   3.979
  319   HG22  VAL  40          HG22      VAL  40  -0.406   5.005   3.919
  320   HG23  VAL  40          HG23      VAL  40   0.579   5.127   2.438
  321    H    GLY  41           H        GLY  41  -0.320   8.451   0.011
  322    HA2  GLY  41           HA2      GLY  41  -0.510  11.333   0.388
  323    HA3  GLY  41           HA3      GLY  41  -1.072  10.378  -1.006
  324    H    ASP  42           H        ASP  42  -2.829   8.590   0.106
  325    HA   ASP  42           HA       ASP  42  -4.577   9.618   2.114
  326    HB2  ASP  42           HB2      ASP  42  -6.507  10.194   0.722
  327    HB3  ASP  42           HB3      ASP  42  -5.180  11.302   0.386
  328    H    VAL  43           H        VAL  43  -6.660   8.443   2.163
  329    HA   VAL  43           HA       VAL  43  -6.511   5.832   0.786
  330    HB   VAL  43           HB       VAL  43  -7.451   4.778   2.711
  331   HG11  VAL  43          HG11      VAL  43  -5.220   6.496   3.828
  332   HG12  VAL  43          HG12      VAL  43  -5.683   4.830   4.276
  333   HG13  VAL  43          HG13      VAL  43  -4.953   5.151   2.694
  334   HG21  VAL  43          HG21      VAL  43  -8.883   6.593   3.558
  335   HG22  VAL  43          HG22      VAL  43  -7.851   5.941   4.849
  336   HG23  VAL  43          HG23      VAL  43  -7.444   7.494   4.092
  337    H    TYR  44           H        TYR  44  -8.565   5.064  -0.034
  338    HA   TYR  44           HA       TYR  44 -10.838   6.914   0.275
  339    HB2  TYR  44           HB2      TYR  44  -9.219   7.854  -1.380
  340    HB3  TYR  44           HB3      TYR  44  -9.338   6.363  -2.312
  341    HD1  TYR  44           HD1      TYR  44 -11.898   8.609  -0.698
  342    HD2  TYR  44           HD2      TYR  44 -10.386   6.759  -4.252
  343    HE1  TYR  44           HE1      TYR  44 -13.784   9.599  -1.998
  344    HE2  TYR  44           HE2      TYR  44 -12.252   7.744  -5.583
  345    HH   TYR  44           HH       TYR  44 -14.757   9.811  -4.065
  346    H    ILE  45           H        ILE  45 -12.811   6.067  -0.509
  347    HA   ILE  45           HA       ILE  45 -12.799   3.258  -1.421
  348    HB   ILE  45           HB       ILE  45 -14.360   4.223   1.012
  349   HG12  ILE  45          HG12      ILE  45 -11.894   2.493   0.636
  350   HG13  ILE  45          HG13      ILE  45 -12.057   3.953   1.633
  351   HG21  ILE  45          HG21      ILE  45 -14.124   1.436  -0.206
  352   HG22  ILE  45          HG22      ILE  45 -15.070   1.896   1.229
  353   HG23  ILE  45          HG23      ILE  45 -15.550   2.489  -0.370
  354   HD11  ILE  45          HD11      ILE  45 -13.615   2.684   3.132
  355   HD12  ILE  45          HD12      ILE  45 -13.313   1.224   2.151
  356   HD13  ILE  45          HD13      ILE  45 -11.981   1.964   3.027
  357    HA   PRO  46           HA       PRO  46 -15.828   5.850  -3.710
  358    HB2  PRO  46           HB2      PRO  46 -14.965   5.233  -6.210
  359    HB3  PRO  46           HB3      PRO  46 -14.130   6.440  -5.185
  360    HG2  PRO  46           HG2      PRO  46 -13.410   3.525  -5.610
  361    HG3  PRO  46           HG3      PRO  46 -12.328   4.967  -5.656
  362    HD2  PRO  46           HD2      PRO  46 -12.600   3.366  -3.440
  363    HD3  PRO  46           HD3      PRO  46 -12.262   5.123  -3.339
  364    H    ARG  47           H        ARG  47 -17.164   5.104  -5.609
  365    HA   ARG  47           HA       ARG  47 -17.980   3.201  -6.937
  366    HB2  ARG  47           HB2      ARG  47 -17.221   1.408  -5.432
  367    HB3  ARG  47           HB3      ARG  47 -18.389   1.934  -4.193
  368    HG2  ARG  47           HG2      ARG  47 -19.201  -0.013  -5.417
  369    HG3  ARG  47           HG3      ARG  47 -20.245   1.386  -5.714
  370    HD2  ARG  47           HD2      ARG  47 -19.117   1.770  -7.887
  371    HD3  ARG  47           HD3      ARG  47 -18.020   0.415  -7.559
  372    HE   ARG  47           HE       ARG  47 -20.706  -0.508  -7.358
  373   HH11  ARG  47          HH11      ARG  47 -18.389   0.603  -9.780
  374   HH12  ARG  47          HH12      ARG  47 -19.119  -0.322 -11.074
  375   HH21  ARG  47          HH21      ARG  47 -21.637  -1.696  -9.055
  376   HH22  ARG  47          HH22      ARG  47 -20.951  -1.626 -10.663
  377    H    ASP  48           H        ASP  48 -18.889   4.794  -3.975
  378    HA   ASP  48           HA       ASP  48 -21.278   5.918  -5.256
  379    HB2  ASP  48           HB2      ASP  48 -21.316   4.522  -2.555
  380    HB3  ASP  48           HB3      ASP  48 -22.616   5.537  -3.217
  381    H    ARG  49           H        ARG  49 -20.058   7.777  -5.381
  382    HA   ARG  49           HA       ARG  49 -18.262   8.695  -3.421
  383    HB2  ARG  49           HB2      ARG  49 -17.937  10.513  -4.929
  384    HB3  ARG  49           HB3      ARG  49 -18.282   9.047  -5.878
  385    HG2  ARG  49           HG2      ARG  49 -20.622   9.815  -6.184
  386    HG3  ARG  49           HG3      ARG  49 -20.216  11.311  -5.301
  387    HD2  ARG  49           HD2      ARG  49 -18.357  11.652  -6.998
  388    HD3  ARG  49           HD3      ARG  49 -19.038  10.317  -7.928
  389    HE   ARG  49           HE       ARG  49 -21.214  11.708  -7.893
  390   HH11  ARG  49          HH11      ARG  49 -17.974  13.179  -7.922
  391   HH12  ARG  49          HH12      ARG  49 -18.563  14.689  -8.566
  392   HH21  ARG  49          HH21      ARG  49 -21.907  13.680  -8.745
  393   HH22  ARG  49          HH22      ARG  49 -20.759  14.963  -9.067
  394    H    TYR  50           H        TYR  50 -21.265   8.456  -2.639
  395    HA   TYR  50           HA       TYR  50 -21.363  10.906  -0.987
  396    HB2  TYR  50           HB2      TYR  50 -23.865  11.037  -1.673
  397    HB3  TYR  50           HB3      TYR  50 -22.654  11.604  -2.843
  398    HD1  TYR  50           HD1      TYR  50 -24.990   8.853  -2.038
  399    HD2  TYR  50           HD2      TYR  50 -22.207  10.474  -4.870
  400    HE1  TYR  50           HE1      TYR  50 -25.581   7.056  -3.615
  401    HE2  TYR  50           HE2      TYR  50 -22.755   8.675  -6.480
  402    HH   TYR  50           HH       TYR  50 -25.225   6.160  -5.716
  403    H    THR  51           H        THR  51 -21.381   7.601  -1.136
  404    HA   THR  51           HA       THR  51 -22.815   7.526   1.463
  405    HB   THR  51           HB       THR  51 -23.824   5.458   1.075
  406   HG21  THR  51          HG21      THR  51 -24.041   6.797  -1.630
  407   HG22  THR  51          HG22      THR  51 -25.239   5.748  -0.849
  408   HG23  THR  51          HG23      THR  51 -24.917   7.368  -0.176
  409    H    LYS  52           H        LYS  52 -20.269   6.340  -0.664
  410    HA   LYS  52           HA       LYS  52 -18.690   4.762  -0.476
  411    HB2  LYS  52           HB2      LYS  52 -16.869   5.472   0.993
  412    HB3  LYS  52           HB3      LYS  52 -17.537   6.790   0.041
  413    HG2  LYS  52           HG2      LYS  52 -18.582   6.381   2.843
  414    HG3  LYS  52           HG3      LYS  52 -16.951   7.037   2.618
  415    HD2  LYS  52           HD2      LYS  52 -17.858   8.841   1.175
  416    HD3  LYS  52           HD3      LYS  52 -19.497   8.213   1.432
  417    HE2  LYS  52           HE2      LYS  52 -19.100  10.074   2.947
  418    HE3  LYS  52           HE3      LYS  52 -19.238   8.578   3.878
  419    HZ1  LYS  52           HZ1      LYS  52 -16.843   8.500   4.005
  420    HZ2  LYS  52           HZ2      LYS  52 -16.696   9.870   3.112
  421    HZ3  LYS  52           HZ3      LYS  52 -17.386   9.927   4.602
  422    H    GLU  53           H        GLU  53 -21.007   3.727   0.797
  423    HA   GLU  53           HA       GLU  53 -20.322   2.620   3.359
  424    HB2  GLU  53           HB2      GLU  53 -22.412   1.370   3.093
  425    HB3  GLU  53           HB3      GLU  53 -22.634   3.075   2.666
  426    HG2  GLU  53           HG2      GLU  53 -22.453   2.491   0.266
  427    HG3  GLU  53           HG3      GLU  53 -22.223   0.784   0.693
  428    H    SER  54           H        SER  54 -19.190   1.789   0.261
  429    HA   SER  54           HA       SER  54 -19.157  -1.069   0.477
  430    HB2  SER  54           HB2      SER  54 -18.827   0.195  -1.630
  431    HB3  SER  54           HB3      SER  54 -17.269   0.795  -1.019
  432    HG   SER  54           HG       SER  54 -17.102  -1.104  -2.332
  433    H    ARG  55           H        ARG  55 -17.188  -2.387   0.747
  434    HA   ARG  55           HA       ARG  55 -14.949  -1.247   2.235
  435    HB2  ARG  55           HB2      ARG  55 -15.227  -2.651   4.219
  436    HB3  ARG  55           HB3      ARG  55 -16.634  -1.604   4.013
  437    HG2  ARG  55           HG2      ARG  55 -17.912  -3.469   3.030
  438    HG3  ARG  55           HG3      ARG  55 -16.481  -4.520   3.147
  439    HD2  ARG  55           HD2      ARG  55 -16.457  -4.177   5.605
  440    HD3  ARG  55           HD3      ARG  55 -17.928  -3.199   5.480
  441    HE   ARG  55           HE       ARG  55 -18.601  -5.578   4.240
  442   HH11  ARG  55          HH11      ARG  55 -17.339  -4.708   7.422
  443   HH12  ARG  55          HH12      ARG  55 -18.078  -6.072   8.222
  444   HH21  ARG  55          HH21      ARG  55 -19.563  -7.348   5.302
  445   HH22  ARG  55          HH22      ARG  55 -19.337  -7.560   7.027
  446    H    GLY  56           H        GLY  56 -15.925  -3.208  -0.162
  447    HA2  GLY  56           HA2      GLY  56 -14.399  -5.616   0.381
  448    HA3  GLY  56           HA3      GLY  56 -15.089  -5.111  -1.172
  449    H    PHE  57           H        PHE  57 -13.544  -2.408  -0.520
  450    HA   PHE  57           HA       PHE  57 -10.750  -3.138  -0.791
  451    HB2  PHE  57           HB2      PHE  57 -10.371  -2.397  -2.973
  452    HB3  PHE  57           HB3      PHE  57 -11.752  -3.472  -3.108
  453    HD1  PHE  57           HD2      PHE  57 -14.049  -1.687  -2.356
  454    HD2  PHE  57           HD1      PHE  57 -10.512  -0.880  -4.677
  455    HE1  PHE  57           HE2      PHE  57 -15.235   0.122  -3.552
  456    HE2  PHE  57           HE1      PHE  57 -11.706   0.929  -5.864
  457    HZ   PHE  57           HZ       PHE  57 -14.076   1.425  -5.311
  458    H    ALA  58           H        ALA  58  -9.426  -1.103  -1.098
  459    HA   ALA  58           HA       ALA  58 -10.769   1.441  -0.620
  460    HB1  ALA  58           HB1      ALA  58  -8.820   0.330   1.465
  461    HB2  ALA  58           HB2      ALA  58  -9.517   1.964   1.438
  462    HB3  ALA  58           HB3      ALA  58 -10.563   0.559   1.711
  463    H    PHE  59           H        PHE  59  -9.884   2.160  -2.514
  464    HA   PHE  59           HA       PHE  59  -7.209   1.656  -3.351
  465    HB2  PHE  59           HB2      PHE  59  -9.003   2.253  -4.894
  466    HB3  PHE  59           HB3      PHE  59  -9.209   3.813  -4.119
  467    HD1  PHE  59           HD1      PHE  59  -7.667   5.627  -4.450
  468    HD2  PHE  59           HD2      PHE  59  -7.106   1.889  -6.542
  469    HE1  PHE  59           HE1      PHE  59  -6.071   6.707  -5.991
  470    HE2  PHE  59           HE2      PHE  59  -5.452   2.951  -7.983
  471    HZ   PHE  59           HZ       PHE  59  -4.866   5.328  -7.709
  472    H    VAL  60           H        VAL  60  -5.713   2.081  -1.785
  473    HA   VAL  60           HA       VAL  60  -5.515   4.859  -0.690
  474    HB   VAL  60           HB       VAL  60  -4.222   2.190   0.002
  475   HG11  VAL  60          HG11      VAL  60  -2.438   3.836   0.247
  476   HG12  VAL  60          HG12      VAL  60  -3.520   4.923   1.143
  477   HG13  VAL  60          HG13      VAL  60  -3.026   3.357   1.831
  478   HG21  VAL  60          HG21      VAL  60  -5.226   2.867   2.270
  479   HG22  VAL  60          HG22      VAL  60  -6.234   3.980   1.296
  480   HG23  VAL  60          HG23      VAL  60  -6.297   2.237   0.993
  481    H    ARG  61           H        ARG  61  -3.462   6.035  -0.976
  482    HA   ARG  61           HA       ARG  61  -1.857   4.945  -3.209
  483    HB2  ARG  61           HB2      ARG  61  -2.224   6.737  -4.636
  484    HB3  ARG  61           HB3      ARG  61  -3.827   6.521  -3.924
  485    HG2  ARG  61           HG2      ARG  61  -3.244   8.321  -2.242
  486    HG3  ARG  61           HG3      ARG  61  -1.750   8.608  -3.155
  487    HD2  ARG  61           HD2      ARG  61  -4.605   8.913  -4.115
  488    HD3  ARG  61           HD3      ARG  61  -3.390  10.190  -3.930
  489    HE   ARG  61           HE       ARG  61  -2.125   8.741  -5.740
  490   HH11  ARG  61          HH11      ARG  61  -5.585   9.485  -5.581
  491   HH12  ARG  61          HH12      ARG  61  -5.846   9.185  -7.277
  492   HH21  ARG  61          HH21      ARG  61  -2.508   8.380  -7.966
  493   HH22  ARG  61          HH22      ARG  61  -4.106   8.618  -8.634
  494    H    PHE  62           H        PHE  62   0.259   5.582  -3.368
  495    HA   PHE  62           HA       PHE  62   1.360   7.107  -1.019
  496    HB2  PHE  62           HB2      PHE  62   2.482   4.867  -2.724
  497    HB3  PHE  62           HB3      PHE  62   3.509   5.911  -1.789
  498    HD1  PHE  62           HD2      PHE  62   0.436   3.805  -1.181
  499    HD2  PHE  62           HD1      PHE  62   4.241   5.230   0.242
  500    HE1  PHE  62           HE2      PHE  62   0.248   2.343   0.817
  501    HE2  PHE  62           HE1      PHE  62   4.055   3.755   2.222
  502    HZ   PHE  62           HZ       PHE  62   2.078   2.314   2.508
  503    H    HIS  63           H        HIS  63   3.305   8.323  -1.377
  504    HA   HIS  63           HA       HIS  63   3.485   9.479  -4.118
  505    HB2  HIS  63           HB2      HIS  63   4.774  11.239  -2.422
  506    HB3  HIS  63           HB3      HIS  63   3.170  11.415  -3.097
  507    HD2  HIS  63           HD2      HIS  63   4.165   9.280   0.101
  508    HE1  HIS  63           HE1      HIS  63   1.265  12.188   1.175
  509    HE2  HIS  63           HE2      HIS  63   2.652  10.225   1.997
  510    H    ASP  64           H        ASP  64   5.403   8.197  -1.406
  511    HA   ASP  64           HA       ASP  64   7.933   8.792  -2.770
  512    HB2  ASP  64           HB2      ASP  64   6.998   7.580  -0.195
  513    HB3  ASP  64           HB3      ASP  64   8.620   7.144  -0.774
  514    H    LYS  65           H        LYS  65   9.047   7.431  -4.084
  515    HA   LYS  65           HA       LYS  65   7.887   4.958  -4.986
  516    HB2  LYS  65           HB2      LYS  65   9.291   6.202  -6.471
  517    HB3  LYS  65           HB3      LYS  65  10.590   6.298  -5.296
  518    HG2  LYS  65           HG2      LYS  65  11.067   4.671  -7.113
  519    HG3  LYS  65           HG3      LYS  65  11.079   3.931  -5.515
  520    HD2  LYS  65           HD2      LYS  65   9.945   2.510  -7.200
  521    HD3  LYS  65           HD3      LYS  65   8.860   2.966  -5.887
  522    HE2  LYS  65           HE2      LYS  65   7.673   3.146  -7.969
  523    HE3  LYS  65           HE3      LYS  65   7.906   4.769  -7.309
  524    HZ1  LYS  65           HZ1      LYS  65   9.760   5.047  -8.814
  525    HZ2  LYS  65           HZ2      LYS  65   9.537   3.535  -9.426
  526    HZ3  LYS  65           HZ3      LYS  65   8.392   4.693  -9.647
  527    H    ARG  66           H        ARG  66  10.772   5.626  -2.898
  528    HA   ARG  66           HA       ARG  66  11.375   2.888  -2.518
  529    HB2  ARG  66           HB2      ARG  66  12.812   3.563  -0.739
  530    HB3  ARG  66           HB3      ARG  66  12.981   4.670  -2.096
  531    HG2  ARG  66           HG2      ARG  66  11.299   5.229   0.380
  532    HG3  ARG  66           HG3      ARG  66  12.987   5.723   0.195
  533    HD2  ARG  66           HD2      ARG  66  10.647   6.685  -1.498
  534    HD3  ARG  66           HD3      ARG  66  11.537   7.600  -0.286
  535    HE   ARG  66           HE       ARG  66  13.300   6.565  -2.335
  536   HH11  ARG  66          HH11      ARG  66  11.012   9.182  -1.630
  537   HH12  ARG  66          HH12      ARG  66  11.739  10.270  -2.784
  538   HH21  ARG  66          HH21      ARG  66  14.223   8.025  -3.808
  539   HH22  ARG  66          HH22      ARG  66  13.559   9.630  -4.001
  540    H    ASP  67           H        ASP  67   9.064   4.953  -0.751
  541    HA   ASP  67           HA       ASP  67   8.734   2.916   1.336
  542    HB2  ASP  67           HB2      ASP  67   7.149   5.435   0.710
  543    HB3  ASP  67           HB3      ASP  67   6.988   4.453   2.169
  544    H    ALA  68           H        ALA  68   7.395   3.598  -1.827
  545    HA   ALA  68           HA       ALA  68   4.855   2.275  -1.345
  546    HB1  ALA  68           HB1      ALA  68   6.361   3.288  -3.795
  547    HB2  ALA  68           HB2      ALA  68   4.764   2.531  -3.879
  548    HB3  ALA  68           HB3      ALA  68   4.971   4.058  -2.983
  549    H    GLU  69           H        GLU  69   7.966   1.565  -3.057
  550    HA   GLU  69           HA       GLU  69   7.084  -1.043  -3.869
  551    HB2  GLU  69           HB2      GLU  69   9.432  -1.443  -4.446
  552    HB3  GLU  69           HB3      GLU  69   8.867   0.107  -5.075
  553    HG2  GLU  69           HG2      GLU  69  10.012   1.325  -3.327
  554    HG3  GLU  69           HG3      GLU  69  10.387  -0.158  -2.453
  555    H    ASP  70           H        ASP  70   8.513   0.246  -0.884
  556    HA   ASP  70           HA       ASP  70   9.329  -2.340   0.105
  557    HB2  ASP  70           HB2      ASP  70  10.261  -0.157   0.870
  558    HB3  ASP  70           HB3      ASP  70   8.699   0.220   1.619
  559    H    ALA  71           H        ALA  71   6.405  -0.267   0.678
  560    HA   ALA  71           HA       ALA  71   5.193  -2.082   2.517
  561    HB1  ALA  71           HB1      ALA  71   3.132  -0.792   2.047
  562    HB2  ALA  71           HB2      ALA  71   4.516   0.301   2.234
  563    HB3  ALA  71           HB3      ALA  71   3.891  -0.074   0.613
  564    H    MET  72           H        MET  72   5.271  -1.943  -1.009
  565    HA   MET  72           HA       MET  72   3.230  -3.948  -1.437
  566    HB2  MET  72           HB2      MET  72   3.641  -2.430  -3.190
  567    HB3  MET  72           HB3      MET  72   5.402  -2.587  -3.022
  568    HG2  MET  72           HG2      MET  72   5.433  -4.714  -4.030
  569    HG3  MET  72           HG3      MET  72   3.667  -4.873  -3.968
  570    HE1  MET  72           HE1      MET  72   5.623  -1.566  -6.565
  571    HE2  MET  72           HE2      MET  72   5.160  -1.376  -4.859
  572    HE3  MET  72           HE3      MET  72   6.511  -2.447  -5.302
  573    H    ASP  73           H        ASP  73   6.844  -3.935  -1.283
  574    HA   ASP  73           HA       ASP  73   6.941  -6.763  -1.884
  575    HB2  ASP  73           HB2      ASP  73   8.681  -5.108  -2.568
  576    HB3  ASP  73           HB3      ASP  73   9.107  -4.887  -0.860
  577    H    ALA  74           H        ALA  74   5.878  -5.234   0.852
  578    HA   ALA  74           HA       ALA  74   7.044  -7.305   2.653
  579    HB1  ALA  74           HB1      ALA  74   6.440  -4.390   3.211
  580    HB2  ALA  74           HB2      ALA  74   7.062  -5.565   4.405
  581    HB3  ALA  74           HB3      ALA  74   8.067  -5.083   3.014
  582    H    MET  75           H        MET  75   4.179  -6.032   1.295
  583    HA   MET  75           HA       MET  75   2.695  -7.448   3.458
  584    HB2  MET  75           HB2      MET  75   2.666  -4.764   3.398
  585    HB3  MET  75           HB3      MET  75   1.385  -5.095   2.198
  586    HG2  MET  75           HG2      MET  75   0.425  -6.736   3.893
  587    HG3  MET  75           HG3      MET  75   1.559  -6.065   5.066
  588    HE1  MET  75           HE1      MET  75   1.580  -3.021   4.018
  589    HE2  MET  75           HE2      MET  75   0.402  -2.258   5.101
  590    HE3  MET  75           HE3      MET  75   1.557  -3.445   5.753
  591    H    ASP  76           H        ASP  76   2.777  -6.582  -0.061
  592    HA   ASP  76           HA       ASP  76   0.184  -7.690  -0.530
  593    HB2  ASP  76           HB2      ASP  76   1.059  -6.412  -2.299
  594    HB3  ASP  76           HB3      ASP  76   2.615  -7.244  -2.284
  595    H    GLY  77           H        GLY  77  -0.541  -9.679  -0.798
  596    HA2  GLY  77           HA2      GLY  77  -0.599 -11.966  -1.046
  597    HA3  GLY  77           HA3      GLY  77   1.140 -11.960  -1.403
  598    H    ALA  78           H        ALA  78   0.418 -10.355   1.566
  599    HA   ALA  78           HA       ALA  78   1.648 -12.549   3.069
  600    HB1  ALA  78           HB1      ALA  78   1.679 -10.901   4.909
  601    HB2  ALA  78           HB2      ALA  78   2.320 -10.169   3.428
  602    HB3  ALA  78           HB3      ALA  78   0.663  -9.794   3.956
  603    H    VAL  79           H        VAL  79  -0.800 -13.197   1.942
  604    HA   VAL  79           HA       VAL  79  -3.011 -12.614   3.662
  605    HB   VAL  79           HB       VAL  79  -3.054 -12.914   1.199
  606   HG11  VAL  79          HG11      VAL  79  -3.221 -15.153   0.241
  607   HG12  VAL  79          HG12      VAL  79  -1.657 -14.982   1.073
  608   HG13  VAL  79          HG13      VAL  79  -2.976 -15.900   1.835
  609   HG21  VAL  79          HG21      VAL  79  -5.048 -12.860   2.552
  610   HG22  VAL  79          HG22      VAL  79  -5.118 -13.649   0.975
  611   HG23  VAL  79          HG23      VAL  79  -5.104 -14.655   2.458
  612    H    LEU  80           H        LEU  80  -4.544 -14.437   4.159
  613    HA   LEU  80           HA       LEU  80  -3.291 -16.906   5.137
  614    HB2  LEU  80           HB2      LEU  80  -3.581 -16.667   7.410
  615    HB3  LEU  80           HB3      LEU  80  -2.972 -15.085   6.936
  616    HG   LEU  80           HG       LEU  80  -5.880 -15.829   7.539
  617   HD11  LEU  80          HD11      LEU  80  -5.557 -14.372   9.489
  618   HD12  LEU  80          HD12      LEU  80  -4.389 -15.708   9.499
  619   HD13  LEU  80          HD13      LEU  80  -3.865 -14.083   9.008
  620   HD21  LEU  80          HD21      LEU  80  -5.822 -14.055   5.830
  621   HD22  LEU  80          HD22      LEU  80  -6.339 -13.409   7.395
  622   HD23  LEU  80          HD23      LEU  80  -4.670 -13.129   6.844
  623    H    ASP  81           H        ASP  81  -5.786 -15.531   3.594
  624    HA   ASP  81           HA       ASP  81  -7.642 -17.710   4.327
  625    HB2  ASP  81           HB2      ASP  81  -8.234 -15.742   5.718
  626    HB3  ASP  81           HB3      ASP  81  -8.323 -14.737   4.260
  627    H    GLY  82           H        GLY  82  -6.019 -16.032   1.916
  628    HA2  GLY  82           HA2      GLY  82  -6.338 -16.815  -0.375
  629    HA3  GLY  82           HA3      GLY  82  -8.095 -16.812  -0.090
  630    H    ARG  83           H        ARG  83  -7.361 -14.207   1.570
  631    HA   ARG  83           HA       ARG  83  -6.490 -12.287  -0.403
  632    HB2  ARG  83           HB2      ARG  83  -8.571 -12.148  -1.308
  633    HB3  ARG  83           HB3      ARG  83  -9.417 -12.651   0.170
  634    HG2  ARG  83           HG2      ARG  83  -7.904 -10.075   0.233
  635    HG3  ARG  83           HG3      ARG  83  -9.380 -10.128  -0.771
  636    HD2  ARG  83           HD2      ARG  83  -9.172 -10.586   2.224
  637    HD3  ARG  83           HD3      ARG  83  -9.947  -9.255   1.380
  638    HE   ARG  83           HE       ARG  83 -11.742 -10.686   0.722
  639   HH11  ARG  83          HH11      ARG  83  -9.374 -12.355   2.777
  640   HH12  ARG  83          HH12      ARG  83 -10.482 -13.648   3.170
  641   HH21  ARG  83          HH21      ARG  83 -13.133 -12.402   1.269
  642   HH22  ARG  83          HH22      ARG  83 -12.577 -13.671   2.340
  643    H    GLU  84           H        GLU  84  -5.342 -10.870   0.725
  644    HA   GLU  84           HA       GLU  84  -6.453  -9.845   3.248
  645    HB2  GLU  84           HB2      GLU  84  -3.729 -11.040   2.922
  646    HB3  GLU  84           HB3      GLU  84  -3.950  -9.680   4.017
  647    HG2  GLU  84           HG2      GLU  84  -5.611 -12.207   4.281
  648    HG3  GLU  84           HG3      GLU  84  -4.118 -11.866   5.169
  649    H    LEU  85           H        LEU  85  -3.755  -9.674   0.829
  650    HA   LEU  85           HA       LEU  85  -4.283  -6.761   0.467
  651    HB2  LEU  85           HB2      LEU  85  -1.579  -8.138   0.828
  652    HB3  LEU  85           HB3      LEU  85  -1.780  -6.532   0.153
  653    HG   LEU  85           HG       LEU  85  -1.022  -6.241   2.311
  654   HD11  LEU  85          HD11      LEU  85  -2.814  -4.711   1.606
  655   HD12  LEU  85          HD12      LEU  85  -4.026  -5.755   2.392
  656   HD13  LEU  85          HD13      LEU  85  -2.794  -4.937   3.370
  657   HD21  LEU  85          HD21      LEU  85  -1.708  -8.542   3.101
  658   HD22  LEU  85          HD22      LEU  85  -1.860  -7.227   4.293
  659   HD23  LEU  85          HD23      LEU  85  -3.308  -7.836   3.481
  660    H    ARG  86           H        ARG  86  -3.845  -5.958  -1.500
  661    HA   ARG  86           HA       ARG  86  -2.230  -7.399  -3.473
  662    HB2  ARG  86           HB2      ARG  86  -5.134  -6.603  -3.980
  663    HB3  ARG  86           HB3      ARG  86  -3.962  -6.867  -5.274
  664    HG2  ARG  86           HG2      ARG  86  -4.848  -8.930  -3.232
  665    HG3  ARG  86           HG3      ARG  86  -5.373  -8.845  -4.912
  666    HD2  ARG  86           HD2      ARG  86  -2.477  -9.247  -4.050
  667    HD3  ARG  86           HD3      ARG  86  -3.587 -10.552  -4.461
  668    HE   ARG  86           HE       ARG  86  -3.821  -9.187  -6.711
  669   HH11  ARG  86          HH11      ARG  86  -0.839  -9.638  -4.847
  670   HH12  ARG  86          HH12      ARG  86   0.161  -9.749  -6.273
  671   HH21  ARG  86          HH21      ARG  86  -2.475  -9.265  -8.538
  672   HH22  ARG  86          HH22      ARG  86  -0.750  -9.457  -8.340
  673    H    VAL  87           H        VAL  87  -0.691  -5.849  -3.512
  674    HA   VAL  87           HA       VAL  87  -1.585  -3.086  -4.150
  675    HB   VAL  87           HB       VAL  87  -1.101  -3.046  -1.812
  676   HG11  VAL  87          HG11      VAL  87   1.516  -4.371  -2.451
  677   HG12  VAL  87          HG12      VAL  87   1.166  -3.514  -0.931
  678   HG13  VAL  87          HG13      VAL  87   0.184  -4.923  -1.375
  679   HG21  VAL  87          HG21      VAL  87  -0.306  -1.145  -3.223
  680   HG22  VAL  87          HG22      VAL  87   0.683  -1.363  -1.764
  681   HG23  VAL  87          HG23      VAL  87   1.293  -1.923  -3.340
  682    H    GLN  88           H        GLN  88  -0.575  -2.086  -5.688
  683    HA   GLN  88           HA       GLN  88   2.052  -2.897  -6.742
  684    HB2  GLN  88           HB2      GLN  88  -0.453  -2.993  -8.490
  685    HB3  GLN  88           HB3      GLN  88   1.214  -3.269  -8.984
  686    HG2  GLN  88           HG2      GLN  88   0.359  -5.425  -8.880
  687    HG3  GLN  88           HG3      GLN  88   1.226  -5.256  -7.356
  688   HE21  GLN  88          HE22      GLN  88  -0.079  -6.957  -6.434
  689   HE22  GLN  88          HE21      GLN  88  -1.749  -6.673  -5.986
  690    H    MET  89           H        MET  89   2.454  -1.551  -8.776
  691    HA   MET  89           HA       MET  89   2.048   1.250  -8.136
  692    HB2  MET  89           HB2      MET  89   3.326  -0.274 -10.438
  693    HB3  MET  89           HB3      MET  89   3.401   1.500 -10.246
  694    HG2  MET  89           HG2      MET  89   4.151  -0.324  -7.945
  695    HG3  MET  89           HG3      MET  89   5.305  -0.046  -9.226
  696    HE1  MET  89           HE1      MET  89   6.470   2.117  -6.093
  697    HE2  MET  89           HE2      MET  89   5.552   0.592  -6.039
  698    HE3  MET  89           HE3      MET  89   6.895   0.779  -7.191
  699    H    ALA  90           H        ALA  90   0.527   2.625  -9.034
  700    HA   ALA  90           HA       ALA  90  -1.753   1.533 -10.346
  701    HB1  ALA  90           HB1      ALA  90  -1.792   3.537  -8.929
  702    HB2  ALA  90           HB2      ALA  90  -0.827   4.417 -10.133
  703    HB3  ALA  90           HB3      ALA  90  -2.480   3.855 -10.527
  704    H    ARG  91           H        ARG  91  -2.487   1.747 -12.463
  705    HA   ARG  91           HA       ARG  91  -0.697   2.908 -14.528
  706    HB2  ARG  91           HB2      ARG  91  -1.974   0.146 -14.697
  707    HB3  ARG  91           HB3      ARG  91  -1.126   0.976 -16.007
  708    HG2  ARG  91           HG2      ARG  91   0.961   0.981 -14.701
  709    HG3  ARG  91           HG3      ARG  91   0.136   0.170 -13.351
  710    HD2  ARG  91           HD2      ARG  91   1.357  -1.479 -14.638
  711    HD3  ARG  91           HD3      ARG  91  -0.382  -1.749 -14.843
  712    HE   ARG  91           HE       ARG  91   0.584  -0.044 -16.930
  713   HH11  ARG  91          HH11      ARG  91   0.742  -3.402 -15.860
  714   HH12  ARG  91          HH12      ARG  91   0.970  -4.035 -17.475
  715   HH21  ARG  91          HH21      ARG  91   0.890  -0.884 -19.025
  716   HH22  ARG  91          HH22      ARG  91   1.048  -2.609 -19.267
  717    H    TYR  92           H        TYR  92  -3.239   3.437 -12.993
  718    HA   TYR  92           HA       TYR  92  -4.993   4.245 -15.225
  719    HB2  TYR  92           HB2      TYR  92  -5.739   2.020 -14.572
  720    HB3  TYR  92           HB3      TYR  92  -5.731   2.482 -12.872
  721    HD1  TYR  92           HD1      TYR  92  -7.163   4.846 -15.370
  722    HD2  TYR  92           HD2      TYR  92  -7.922   1.610 -12.646
  723    HE1  TYR  92           HE1      TYR  92  -9.575   5.398 -15.386
  724    HE2  TYR  92           HE2      TYR  92 -10.319   2.181 -12.600
  725    HH   TYR  92           HH       TYR  92 -11.669   4.877 -14.583
  726    H    GLY  93           H        GLY  93  -6.187   6.202 -14.545
  727    HA2  GLY  93           HA2      GLY  93  -4.850   7.434 -12.167
  728    HA3  GLY  93           HA3      GLY  93  -5.125   8.265 -13.692
  729    H    ARG  94           H        ARG  94  -5.880   9.596 -11.622
  730    HA   ARG  94           HA       ARG  94  -8.399   9.135 -10.445
  731    HB2  ARG  94           HB2      ARG  94  -6.534  10.684  -9.720
  732    HB3  ARG  94           HB3      ARG  94  -7.038  11.806 -10.994
  733    HG2  ARG  94           HG2      ARG  94  -9.270  11.988  -9.938
  734    HG3  ARG  94           HG3      ARG  94  -8.766  10.818  -8.684
  735    HD2  ARG  94           HD2      ARG  94  -6.926  12.371  -8.034
  736    HD3  ARG  94           HD3      ARG  94  -7.533  13.546  -9.216
  737    HE   ARG  94           HE       ARG  94  -9.596  12.691  -7.368
  738   HH11  ARG  94          HH11      ARG  94  -6.833  14.870  -7.717
  739   HH12  ARG  94          HH12      ARG  94  -7.430  16.009  -6.531
  740   HH21  ARG  94          HH21      ARG  94 -10.348  14.198  -5.817
  741   HH22  ARG  94          HH22      ARG  94  -9.412  15.630  -5.474
  742    HA   PRO  95           HA       PRO  95 -11.084   9.933 -13.843
  743    HB2  PRO  95           HB2      PRO  95 -13.433  10.495 -12.542
  744    HB3  PRO  95           HB3      PRO  95 -12.704   8.860 -12.608
  745    HG2  PRO  95           HG2      PRO  95 -12.474  10.931 -10.395
  746    HG3  PRO  95           HG3      PRO  95 -12.861   9.191 -10.220
  747    HD2  PRO  95           HD2      PRO  95 -10.357  10.108  -9.832
  748    HD3  PRO  95           HD3      PRO  95 -10.631   8.553 -10.668
  749    HA   PRO  96           HA       PRO  96 -11.476  14.420 -14.270
  750    HB2  PRO  96           HB2      PRO  96 -12.618  14.509 -16.723
  751    HB3  PRO  96           HB3      PRO  96 -10.942  13.900 -16.512
  752    HG2  PRO  96           HG2      PRO  96 -13.506  12.294 -16.742
  753    HG3  PRO  96           HG3      PRO  96 -11.969  12.050 -17.633
  754    HD2  PRO  96           HD2      PRO  96 -12.625  10.652 -15.342
  755    HD3  PRO  96           HD3      PRO  96 -10.939  11.063 -15.776
  756    H    ASP  97           H        ASP  97 -14.103  12.082 -14.492
  757    HA   ASP  97           HA       ASP  97 -16.009  13.963 -13.285
  758    HB2  ASP  97           HB2      ASP  97 -16.231  14.286 -15.761
  759    HB3  ASP  97           HB3      ASP  97 -16.575  12.556 -15.923
  760    H    SER  98           H        SER  98 -18.048  12.694 -12.595
  761    HA   SER  98           HA       SER  98 -16.966  10.443 -11.205
  762    HB2  SER  98           HB2      SER  98 -19.294  10.292 -10.227
  763    HB3  SER  98           HB3      SER  98 -18.514  11.880 -10.070
  764    HG   SER  98           HG       SER  98 -20.679  12.034 -10.814
  765    H    HIS  99           H        HIS  99 -19.673  10.630 -13.619
  766    HA   HIS  99           HA       HIS  99 -19.106   7.919 -14.499
  767    HB2  HIS  99           HB2      HIS  99 -21.123   6.875 -13.660
  768    HB3  HIS  99           HB3      HIS  99 -20.213   7.541 -12.296
  769    HD2  HIS  99           HD2      HIS  99 -21.403   9.240 -10.742
  770    HE1  HIS  99           HE1      HIS  99 -24.989   9.785 -12.958
  771    HE2  HIS  99           HE2      HIS  99 -23.809  10.286 -10.760
  772    H    HIS 100           H        HIS 100 -20.962   7.129 -15.978
  773    HA   HIS 100           HA       HIS 100 -22.579   9.256 -17.200
  774    HB2  HIS 100           HB2      HIS 100 -20.339   9.495 -18.246
  775    HB3  HIS 100           HB3      HIS 100 -20.397   7.801 -18.737
  776    HD2  HIS 100           HD2      HIS 100 -20.736   7.803 -21.288
  777    HE1  HIS 100           HE1      HIS 100 -23.828  10.709 -21.616
  778    HE2  HIS 100           HE2      HIS 100 -22.391   9.042 -22.903
  779    H    SER 101           H        SER 101 -23.893   8.302 -19.034
  780    HA   SER 101           HA       SER 101 -24.305   5.378 -18.910
  781    HB2  SER 101           HB2      SER 101 -26.450   7.426 -18.227
  782    HB3  SER 101           HB3      SER 101 -26.743   5.701 -18.518
  783    HG   SER 101           HG       SER 101 -25.073   6.790 -16.488
  784    H5'    U 102           H5'        U 102 -10.858  -7.560  -8.709
  785   H5''    U 102          H5''        U 102 -12.595  -7.161  -8.689
  786    H4'    U 102           H4'        U 102 -10.452  -5.046  -9.031
  787    H3'    U 102           H3'        U 102 -11.700  -6.309  -6.604
  788    H2'    U 102           H2'        U 102 -11.979  -4.374  -5.464
  789   HO2'    U 102          HO2'        U 102  -9.790  -3.603  -5.802
  790    H1'    U 102           H1'        U 102 -12.325  -2.766  -7.769
  791    H3     U 102           H3         U 102 -16.382  -5.847  -6.193
  792    H5     U 102           H5         U 102 -16.104  -1.703  -5.556
  793    H6     U 102           H6         U 102 -13.865  -1.778  -6.509
  794   HO5'    U 102          HO5'        U 102 -11.842  -7.691 -10.799
  795    H5'    G 103           H5'        G 103  -9.652  -3.484  -8.614
  796   H5''    G 103          H5''        G 103  -8.045  -3.473  -9.381
  797    H4'    G 103           H4'        G 103  -8.806  -1.566  -7.123
  798    H3'    G 103           H3'        G 103 -10.108  -1.754  -9.606
  799    H2'    G 103           H2'        G 103  -8.290  -1.050 -10.914
  800   HO2'    G 103          HO2'        G 103  -9.952   0.743 -10.784
  801    H1'    G 103           H1'        G 103  -7.483   0.738  -8.622
  802    H8     G 103           H8         G 103  -5.863   2.111 -10.023
  803    H1     G 103           H1         G 103  -2.980  -3.145 -12.333
  804    H21    G 103           H21        G 103  -4.185  -4.940 -11.796
  805    H22    G 103           H22        G 103  -5.666  -4.805 -10.869
  806    H5'    G 104           H5'        G 104 -11.290   3.003  -9.875
  807   H5''    G 104          H5''        G 104  -9.971   2.756  -8.709
  808    H4'    G 104           H4'        G 104 -12.358   4.061  -7.552
  809    H3'    G 104           H3'        G 104 -10.956   5.329  -9.899
  810    H2'    G 104           H2'        G 104 -11.151   7.417  -8.815
  811   HO2'    G 104          HO2'        G 104 -13.394   7.046  -8.248
  812    H1'    G 104           H1'        G 104 -10.704   6.504  -6.233
  813    H8     G 104           H8         G 104  -8.903   8.434  -6.399
  814    H1     G 104           H1         G 104  -5.583   5.131 -10.756
  815    H21    G 104           H21        G 104  -6.745   3.352 -11.410
  816    H22    G 104           H22        G 104  -8.294   2.958 -10.701
  817    H5'    A 105           H5'        A 105 -16.012   7.748 -10.819
  818   H5''    A 105          H5''        A 105 -14.674   8.828 -11.195
  819    H4'    A 105           H4'        A 105 -15.456  10.336  -9.746
  820    H3'    A 105           H3'        A 105 -14.198   8.973  -7.861
  821    H2'    A 105           H2'        A 105 -15.634   7.039  -7.930
  822   HO2'    A 105          HO2'        A 105 -15.441   8.006  -5.724
  823    H1'    A 105           H1'        A 105 -18.145   8.696  -7.638
  824    H8     A 105           H8         A 105 -16.290   5.999  -9.541
  825    H61    A 105           H61        A 105 -21.954   3.435 -10.166
  826    H62    A 105           H62        A 105 -20.246   3.186 -10.491
  827    H2     A 105           H2         A 105 -22.375   7.378  -8.187
  828    H5'    G 106           H5'        G 106 -15.875  11.222  -4.664
  829   H5''    G 106          H5''        G 106 -16.418  12.830  -5.171
  830    H4'    G 106           H4'        G 106 -15.673  12.810  -2.840
  831    H3'    G 106           H3'        G 106 -15.106  14.780  -4.665
  832    H2'    G 106           H2'        G 106 -13.109  13.751  -5.400
  833   HO2'    G 106          HO2'        G 106 -12.503  15.746  -3.529
  834    H1'    G 106           H1'        G 106 -12.257  13.364  -2.514
  835    H8     G 106           H8         G 106 -12.371  11.937  -6.112
  836    H1     G 106           H1         G 106  -6.991  10.695  -2.824
  837    H21    G 106           H21        G 106  -7.158  11.546  -0.786
  838    H22    G 106           H22        G 106  -8.631  12.306  -0.218
  839    H5'    U 107           H5'        U 107 -16.540  18.448  -0.722
  840   H5''    U 107          H5''        U 107 -17.156  17.695  -2.196
  841    H4'    U 107           H4'        U 107 -14.198  18.370  -1.807
  842    H3'    U 107           H3'        U 107 -16.039  20.333  -1.606
  843   HO3'    U 107          HO3'        U 107 -14.606  21.686  -2.719
  844    H2'    U 107           H2'        U 107 -17.252  19.332  -3.349
  845   HO2'    U 107          HO2'        U 107 -15.846  21.578  -4.468
  846    H1'    U 107           H1'        U 107 -14.710  19.476  -4.994
  847    H3     U 107           H3         U 107 -16.297  17.857  -8.870
  848    H5     U 107           H5         U 107 -19.093  16.444  -6.059
  849    H6     U 107           H6         U 107 -17.785  17.503  -4.316
  Start of MODEL    7
    1    H    MET   1           H1       MET   1 -16.358  13.949  11.657
    2    HA   MET   1           HA       MET   1 -15.132  15.610  10.468
    3    HB2  MET   1           HB2      MET   1 -12.732  14.285  11.795
    4    HB3  MET   1           HB3      MET   1 -12.646  15.475  10.481
    5    HG2  MET   1           HG2      MET   1 -13.816  17.124  11.899
    6    HG3  MET   1           HG3      MET   1 -13.893  15.947  13.215
    7    HE1  MET   1           HE1      MET   1 -11.678  18.340  11.080
    8    HE2  MET   1           HE2      MET   1 -10.031  17.980  11.649
    9    HE3  MET   1           HE3      MET   1 -10.914  16.779  10.691
   10    H    SER   2           H        SER   2 -13.971  15.137   8.414
   11    HA   SER   2           HA       SER   2 -13.706  12.296   7.707
   12    HB2  SER   2           HB2      SER   2 -15.291  12.458   5.864
   13    HB3  SER   2           HB3      SER   2 -16.122  12.847   7.387
   14    HG   SER   2           HG       SER   2 -15.927  15.033   6.872
   15    H    TYR   3           H        TYR   3 -13.121  12.174   5.275
   16    HA   TYR   3           HA       TYR   3 -10.712  13.599   4.826
   17    HB2  TYR   3           HB2      TYR   3 -12.626  12.132   2.957
   18    HB3  TYR   3           HB3      TYR   3 -11.025  12.664   2.480
   19    HD1  TYR   3           HD2      TYR   3 -12.943  10.299   4.588
   20    HD2  TYR   3           HD1      TYR   3  -9.020  11.508   3.283
   21    HE1  TYR   3           HE2      TYR   3 -11.990   8.199   5.505
   22    HE2  TYR   3           HE1      TYR   3  -8.066   9.410   4.196
   23    HH   TYR   3           HH       TYR   3  -8.503   7.442   5.279
   24    H    GLY   4           H        GLY   4 -14.025  14.118   3.680
   25    HA2  GLY   4           HA2      GLY   4 -15.094  15.854   2.626
   26    HA3  GLY   4           HA3      GLY   4 -13.779  16.905   3.138
   27    H    ARG   5           H        ARG   5 -11.770  16.781   1.906
   28    HA   ARG   5           HA       ARG   5 -12.048  16.171  -0.970
   29    HB2  ARG   5           HB2      ARG   5 -11.645  19.084  -0.257
   30    HB3  ARG   5           HB3      ARG   5 -12.178  18.351  -1.787
   31    HG2  ARG   5           HG2      ARG   5 -14.288  17.640  -0.565
   32    HG3  ARG   5           HG3      ARG   5 -13.683  18.570   0.836
   33    HD2  ARG   5           HD2      ARG   5 -14.429  19.666  -1.887
   34    HD3  ARG   5           HD3      ARG   5 -15.353  19.794  -0.377
   35    HE   ARG   5           HE       ARG   5 -12.632  21.010  -0.758
   36   HH11  ARG   5          HH11      ARG   5 -15.966  21.218   0.448
   37   HH12  ARG   5          HH12      ARG   5 -15.731  22.800   1.140
   38   HH21  ARG   5          HH21      ARG   5 -12.367  23.071   0.171
   39   HH22  ARG   5          HH22      ARG   5 -13.699  23.844   0.991
   40    HA   PRO   6           HA       PRO   6  -7.838  16.637   1.143
   41    HB2  PRO   6           HB2      PRO   6  -6.809  14.120   0.814
   42    HB3  PRO   6           HB3      PRO   6  -7.898  14.577   2.166
   43    HG2  PRO   6           HG2      PRO   6  -8.645  13.243  -0.450
   44    HG3  PRO   6           HG3      PRO   6  -9.107  12.756   1.216
   45    HD2  PRO   6           HD2      PRO   6 -10.765  14.245  -0.369
   46    HD3  PRO   6           HD3      PRO   6 -10.645  14.554   1.391
   47    HA   PRO   7           HA       PRO   7  -6.267  17.173  -3.081
   48    HB2  PRO   7           HB2      PRO   7  -4.472  19.138  -2.584
   49    HB3  PRO   7           HB3      PRO   7  -6.235  19.436  -2.495
   50    HG2  PRO   7           HG2      PRO   7  -4.340  18.862  -0.202
   51    HG3  PRO   7           HG3      PRO   7  -5.569  20.161  -0.331
   52    HD2  PRO   7           HD2      PRO   7  -6.018  17.757   0.948
   53    HD3  PRO   7           HD3      PRO   7  -7.314  18.675   0.131
   54    HA   PRO   8           HA       PRO   8  -2.584  14.582  -2.311
   55    HB2  PRO   8           HB2      PRO   8  -2.567  13.220  -4.600
   56    HB3  PRO   8           HB3      PRO   8  -3.921  12.986  -3.453
   57    HG2  PRO   8           HG2      PRO   8  -3.865  14.834  -5.866
   58    HG3  PRO   8           HG3      PRO   8  -5.094  13.579  -5.471
   59    HD2  PRO   8           HD2      PRO   8  -5.383  16.234  -4.783
   60    HD3  PRO   8           HD3      PRO   8  -6.019  14.908  -3.766
   61    H    ASP   9           H        ASP   9  -0.781  14.061  -4.316
   62    HA   ASP   9           HA       ASP   9   0.013  16.679  -5.473
   63    HB2  ASP   9           HB2      ASP   9   1.743  14.823  -3.780
   64    HB3  ASP   9           HB3      ASP   9   2.330  16.240  -4.670
   65    H    VAL  10           H        VAL  10  -1.255  14.550  -6.770
   66    HA   VAL  10           HA       VAL  10   0.427  12.537  -7.828
   67    HB   VAL  10           HB       VAL  10  -1.440  12.014  -9.256
   68   HG11  VAL  10          HG11      VAL  10  -3.209  11.806  -7.592
   69   HG12  VAL  10          HG12      VAL  10  -1.628  11.586  -6.787
   70   HG13  VAL  10          HG13      VAL  10  -2.515  13.126  -6.641
   71   HG21  VAL  10          HG21      VAL  10  -3.416  13.487  -9.424
   72   HG22  VAL  10          HG22      VAL  10  -2.586  14.734  -8.471
   73   HG23  VAL  10          HG23      VAL  10  -1.985  14.290 -10.087
   74    H    GLU  11           H        GLU  11   1.124  15.589  -8.379
   75    HA   GLU  11           HA       GLU  11   1.019  15.950 -11.194
   76    HB2  GLU  11           HB2      GLU  11   2.807  17.137  -9.050
   77    HB3  GLU  11           HB3      GLU  11   2.695  17.744 -10.723
   78    HG2  GLU  11           HG2      GLU  11   0.257  18.121 -10.400
   79    HG3  GLU  11           HG3      GLU  11   0.404  17.587  -8.718
   80    H    GLY  12           H        GLY  12   2.703  13.553  -9.673
   81    HA2  GLY  12           HA2      GLY  12   4.057  12.592 -11.852
   82    HA3  GLY  12           HA3      GLY  12   5.216  13.742 -11.157
   83    H    MET  13           H        MET  13   3.576  12.686  -8.486
   84    HA   MET  13           HA       MET  13   5.751  11.171  -7.529
   85    HB2  MET  13           HB2      MET  13   4.464  10.948  -5.547
   86    HB3  MET  13           HB3      MET  13   4.084  12.530  -6.238
   87    HG2  MET  13           HG2      MET  13   2.065  11.359  -7.371
   88    HG3  MET  13           HG3      MET  13   2.413  10.011  -6.285
   89    HE1  MET  13           HE1      MET  13   0.723   9.742  -4.507
   90    HE2  MET  13           HE2      MET  13  -0.491  11.000  -4.172
   91    HE3  MET  13           HE3      MET  13  -0.217  10.439  -5.850
   92    H    THR  14           H        THR  14   5.470   8.960  -6.485
   93    HA   THR  14           HA       THR  14   5.401   7.077  -8.569
   94    HB   THR  14           HB       THR  14   5.513   6.856  -5.540
   95   HG21  THR  14          HG21      THR  14   6.261   4.515  -5.893
   96   HG22  THR  14          HG22      THR  14   4.556   4.747  -6.320
   97   HG23  THR  14          HG23      THR  14   5.792   4.642  -7.605
   98    H    SER  15           H        SER  15   2.759   8.077  -6.448
   99    HA   SER  15           HA       SER  15   0.691   7.239  -6.091
  100    HB2  SER  15           HB2      SER  15   0.903   7.003  -9.112
  101    HB3  SER  15           HB3      SER  15  -0.617   6.985  -8.191
  102    HG   SER  15           HG       SER  15   1.270   9.075  -8.411
  103    H    LEU  16           H        LEU  16   2.096   5.245  -5.133
  104    HA   LEU  16           HA       LEU  16   1.602   2.686  -6.349
  105    HB2  LEU  16           HB2      LEU  16   3.060   3.210  -4.291
  106    HB3  LEU  16           HB3      LEU  16   1.537   3.308  -3.384
  107    HG   LEU  16           HG       LEU  16   1.024   0.926  -4.076
  108   HD11  LEU  16          HD11      LEU  16   2.554   0.834  -6.060
  109   HD12  LEU  16          HD12      LEU  16   3.941   0.938  -4.952
  110   HD13  LEU  16          HD13      LEU  16   2.855  -0.466  -4.884
  111   HD21  LEU  16          HD21      LEU  16   3.572   1.429  -2.526
  112   HD22  LEU  16          HD22      LEU  16   1.921   1.476  -1.880
  113   HD23  LEU  16          HD23      LEU  16   2.592  -0.061  -2.472
  114    H    LYS  17           H        LYS  17  -0.081   1.114  -5.545
  115    HA   LYS  17           HA       LYS  17  -2.578   2.371  -4.539
  116    HB2  LYS  17           HB2      LYS  17  -2.834   2.227  -6.932
  117    HB3  LYS  17           HB3      LYS  17  -2.196   0.572  -6.949
  118    HG2  LYS  17           HG2      LYS  17  -4.199  -0.172  -5.632
  119    HG3  LYS  17           HG3      LYS  17  -4.801   1.507  -5.685
  120    HD2  LYS  17           HD2      LYS  17  -5.864   0.324  -7.486
  121    HD3  LYS  17           HD3      LYS  17  -4.624   1.370  -8.204
  122    HE2  LYS  17           HE2      LYS  17  -4.167  -0.618  -9.310
  123    HE3  LYS  17           HE3      LYS  17  -3.089  -0.788  -7.924
  124    HZ1  LYS  17           HZ1      LYS  17  -5.779  -1.958  -8.228
  125    HZ2  LYS  17           HZ2      LYS  17  -4.357  -2.781  -8.212
  126    HZ3  LYS  17           HZ3      LYS  17  -4.917  -2.036  -6.848
  127    H    VAL  18           H        VAL  18  -3.763   1.101  -3.188
  128    HA   VAL  18           HA       VAL  18  -2.908  -1.742  -2.733
  129    HB   VAL  18           HB       VAL  18  -3.823   0.264  -0.643
  130   HG11  VAL  18          HG11      VAL  18  -3.183  -2.691  -0.506
  131   HG12  VAL  18          HG12      VAL  18  -3.167  -1.635   0.920
  132   HG13  VAL  18          HG13      VAL  18  -4.669  -1.856  -0.006
  133   HG21  VAL  18          HG21      VAL  18  -1.440   0.602  -1.372
  134   HG22  VAL  18          HG22      VAL  18  -1.594   0.055   0.313
  135   HG23  VAL  18          HG23      VAL  18  -1.111  -1.092  -0.943
  136    H    ASP  19           H        ASP  19  -4.630  -3.153  -2.297
  137    HA   ASP  19           HA       ASP  19  -7.411  -2.229  -2.031
  138    HB2  ASP  19           HB2      ASP  19  -6.454  -4.016  -4.307
  139    HB3  ASP  19           HB3      ASP  19  -8.145  -3.673  -3.923
  140    H    ASN  20           H        ASN  20  -8.737  -4.556  -2.267
  141    HA   ASN  20           HA       ASN  20  -9.055  -6.714  -1.751
  142    HB2  ASN  20           HB2      ASN  20  -6.232  -6.671  -2.033
  143    HB3  ASN  20           HB3      ASN  20  -6.550  -7.539  -0.533
  144   HD21  ASN  20          HD22      ASN  20  -5.950  -9.526  -1.275
  145   HD22  ASN  20          HD21      ASN  20  -6.812 -10.388  -2.538
  146    H    LEU  21           H        LEU  21  -9.443  -4.476   0.096
  147    HA   LEU  21           HA       LEU  21  -8.847  -5.040   2.776
  148    HB2  LEU  21           HB2      LEU  21 -11.261  -3.764   1.432
  149    HB3  LEU  21           HB3      LEU  21 -11.084  -3.837   3.174
  150    HG   LEU  21           HG       LEU  21 -10.367  -1.696   1.852
  151   HD11  LEU  21          HD11      LEU  21  -8.649  -2.907   4.042
  152   HD12  LEU  21          HD12      LEU  21  -8.818  -1.174   3.652
  153   HD13  LEU  21          HD13      LEU  21 -10.207  -2.083   4.281
  154   HD21  LEU  21          HD21      LEU  21  -8.716  -2.758   0.330
  155   HD22  LEU  21          HD22      LEU  21  -7.941  -1.588   1.410
  156   HD23  LEU  21          HD23      LEU  21  -7.782  -3.314   1.749
  157    H    THR  22           H        THR  22  -9.283  -6.804   3.976
  158    HA   THR  22           HA       THR  22 -11.223  -8.739   3.142
  159    HB   THR  22           HB       THR  22  -9.836  -8.470   5.845
  160   HG21  THR  22          HG21      THR  22 -11.405 -10.207   6.055
  161   HG22  THR  22          HG22      THR  22 -11.216 -10.707   4.353
  162   HG23  THR  22          HG23      THR  22  -9.940 -11.066   5.530
  163    H    TYR  23           H        TYR  23 -12.900  -9.547   4.830
  164    HA   TYR  23           HA       TYR  23 -14.920  -7.598   5.022
  165    HB2  TYR  23           HB2      TYR  23 -16.180  -9.377   6.134
  166    HB3  TYR  23           HB3      TYR  23 -15.307  -9.996   4.740
  167    HD1  TYR  23           HD1      TYR  23 -15.539 -10.003   8.416
  168    HD2  TYR  23           HD2      TYR  23 -13.437 -11.548   5.001
  169    HE1  TYR  23           HE1      TYR  23 -14.490 -11.732   9.851
  170    HE2  TYR  23           HE2      TYR  23 -12.388 -13.290   6.427
  171    HH   TYR  23           HH       TYR  23 -13.062 -13.533   9.936
  172    H    ARG  24           H        ARG  24 -12.254  -7.490   6.921
  173    HA   ARG  24           HA       ARG  24 -13.772  -6.523   9.294
  174    HB2  ARG  24           HB2      ARG  24 -12.188  -7.591  10.747
  175    HB3  ARG  24           HB3      ARG  24 -12.752  -8.813   9.592
  176    HG2  ARG  24           HG2      ARG  24 -10.691  -8.273   8.178
  177    HG3  ARG  24           HG3      ARG  24 -10.110  -7.291   9.548
  178    HD2  ARG  24           HD2      ARG  24 -10.485  -9.390  10.985
  179    HD3  ARG  24           HD3      ARG  24 -10.647 -10.266   9.453
  180    HE   ARG  24           HE       ARG  24  -8.218  -9.122  10.656
  181   HH11  ARG  24          HH11      ARG  24  -9.656 -10.477   7.717
  182   HH12  ARG  24          HH12      ARG  24  -8.100 -10.765   6.969
  183   HH21  ARG  24          HH21      ARG  24  -6.218  -9.534   9.643
  184   HH22  ARG  24          HH22      ARG  24  -6.189 -10.214   8.031
  185    H    THR  25           H        THR  25 -12.272  -5.310   6.827
  186    HA   THR  25           HA       THR  25 -10.388  -3.597   8.398
  187    HB   THR  25           HB       THR  25 -10.054  -4.207   5.456
  188   HG21  THR  25          HG21      THR  25  -8.154  -3.481   7.733
  189   HG22  THR  25          HG22      THR  25  -7.673  -3.795   6.055
  190   HG23  THR  25          HG23      THR  25  -8.687  -2.388   6.433
  191    H    SER  26           H        SER  26  -9.949  -1.456   7.331
  192    HA   SER  26           HA       SER  26 -12.273  -0.252   5.953
  193    HB2  SER  26           HB2      SER  26 -12.630   1.330   7.811
  194    HB3  SER  26           HB3      SER  26 -12.762  -0.322   8.425
  195    HG   SER  26           HG       SER  26 -11.431   0.989   9.732
  196    HA   PRO  27           HA       PRO  27  -9.065   2.370   4.358
  197    HB2  PRO  27           HB2      PRO  27 -10.110   4.893   4.303
  198    HB3  PRO  27           HB3      PRO  27 -10.717   3.575   3.249
  199    HG2  PRO  27           HG2      PRO  27 -11.833   4.507   5.913
  200    HG3  PRO  27           HG3      PRO  27 -12.738   4.244   4.389
  201    HD2  PRO  27           HD2      PRO  27 -12.680   2.369   6.310
  202    HD3  PRO  27           HD3      PRO  27 -12.573   1.886   4.598
  203    H    ASP  28           H        ASP  28 -10.559   3.403   7.433
  204    HA   ASP  28           HA       ASP  28  -8.468   5.199   8.236
  205    HB2  ASP  28           HB2      ASP  28 -10.547   3.558   9.729
  206    HB3  ASP  28           HB3      ASP  28  -9.460   4.711  10.530
  207    H    THR  29           H        THR  29  -8.969   1.656   8.527
  208    HA   THR  29           HA       THR  29  -6.618   1.277  10.190
  209    HB   THR  29           HB       THR  29  -8.153  -0.688   8.430
  210   HG21  THR  29          HG21      THR  29  -6.070  -1.052  10.620
  211   HG22  THR  29          HG22      THR  29  -7.071  -2.367   9.947
  212   HG23  THR  29          HG23      THR  29  -5.913  -1.499   8.909
  213    H    LEU  30           H        LEU  30  -7.382   0.993   6.678
  214    HA   LEU  30           HA       LEU  30  -4.868   0.034   5.848
  215    HB2  LEU  30           HB2      LEU  30  -7.301   1.065   4.708
  216    HB3  LEU  30           HB3      LEU  30  -5.961   1.859   3.893
  217    HG   LEU  30           HG       LEU  30  -6.807  -0.249   2.818
  218   HD11  LEU  30          HD11      LEU  30  -3.910  -0.167   3.727
  219   HD12  LEU  30          HD12      LEU  30  -4.539  -1.264   2.473
  220   HD13  LEU  30          HD13      LEU  30  -4.595   0.488   2.217
  221   HD21  LEU  30          HD21      LEU  30  -7.132  -1.472   5.044
  222   HD22  LEU  30          HD22      LEU  30  -6.338  -2.398   3.744
  223   HD23  LEU  30          HD23      LEU  30  -5.372  -1.718   5.064
  224    H    ARG  31           H        ARG  31  -5.752   3.172   7.066
  225    HA   ARG  31           HA       ARG  31  -3.499   4.557   5.817
  226    HB2  ARG  31           HB2      ARG  31  -5.522   5.792   6.387
  227    HB3  ARG  31           HB3      ARG  31  -5.401   5.269   8.077
  228    HG2  ARG  31           HG2      ARG  31  -4.621   7.612   7.734
  229    HG3  ARG  31           HG3      ARG  31  -3.388   6.558   8.431
  230    HD2  ARG  31           HD2      ARG  31  -2.345   6.296   6.183
  231    HD3  ARG  31           HD3      ARG  31  -3.558   7.384   5.501
  232    HE   ARG  31           HE       ARG  31  -1.546   8.150   7.587
  233   HH11  ARG  31          HH11      ARG  31  -3.559   9.041   4.814
  234   HH12  ARG  31          HH12      ARG  31  -2.879  10.648   4.711
  235   HH21  ARG  31          HH21      ARG  31  -0.709  10.185   7.434
  236   HH22  ARG  31          HH22      ARG  31  -1.256  11.310   6.204
  237    H    ARG  32           H        ARG  32  -4.323   3.588   9.232
  238    HA   ARG  32           HA       ARG  32  -1.693   4.312  10.128
  239    HB2  ARG  32           HB2      ARG  32  -2.395   3.377  12.270
  240    HB3  ARG  32           HB3      ARG  32  -3.679   4.356  11.552
  241    HG2  ARG  32           HG2      ARG  32  -4.892   2.547  12.298
  242    HG3  ARG  32           HG3      ARG  32  -4.585   2.083  10.618
  243    HD2  ARG  32           HD2      ARG  32  -4.217   0.186  12.082
  244    HD3  ARG  32           HD3      ARG  32  -2.659   0.677  11.408
  245    HE   ARG  32           HE       ARG  32  -3.042   2.023  13.885
  246   HH11  ARG  32          HH11      ARG  32  -2.455  -1.233  12.634
  247   HH12  ARG  32          HH12      ARG  32  -1.659  -1.773  14.095
  248   HH21  ARG  32          HH21      ARG  32  -1.995   1.301  15.763
  249   HH22  ARG  32          HH22      ARG  32  -1.409  -0.344  15.867
  250    H    VAL  33           H        VAL  33  -2.797   1.568   8.436
  251    HA   VAL  33           HA       VAL  33  -0.716  -0.233   9.476
  252    HB   VAL  33           HB       VAL  33  -2.899  -0.465   7.380
  253   HG11  VAL  33          HG11      VAL  33  -0.874  -2.560   8.272
  254   HG12  VAL  33          HG12      VAL  33  -2.337  -2.883   7.310
  255   HG13  VAL  33          HG13      VAL  33  -1.042  -1.866   6.640
  256   HG21  VAL  33          HG21      VAL  33  -3.609  -0.471   9.747
  257   HG22  VAL  33          HG22      VAL  33  -3.842  -2.066   9.007
  258   HG23  VAL  33          HG23      VAL  33  -2.459  -1.784  10.096
  259    H    PHE  34           H        PHE  34  -1.342   1.811   6.602
  260    HA   PHE  34           HA       PHE  34   1.208   0.824   5.422
  261    HB2  PHE  34           HB2      PHE  34  -1.303   2.078   4.360
  262    HB3  PHE  34           HB3      PHE  34   0.174   2.304   3.472
  263    HD1  PHE  34           HD1      PHE  34  -2.101  -0.308   4.845
  264    HD2  PHE  34           HD2      PHE  34   1.101   0.550   2.116
  265    HE1  PHE  34           HE1      PHE  34  -2.389  -2.535   3.810
  266    HE2  PHE  34           HE2      PHE  34   0.828  -1.687   1.089
  267    HZ   PHE  34           HZ       PHE  34  -0.921  -3.229   1.922
  268    H    GLU  35           H        GLU  35   0.058   3.430   7.309
  269    HA   GLU  35           HA       GLU  35   1.690   5.516   6.160
  270    HB2  GLU  35           HB2      GLU  35  -0.240   6.030   7.535
  271    HB3  GLU  35           HB3      GLU  35   0.440   5.113   8.897
  272    HG2  GLU  35           HG2      GLU  35   2.217   6.711   9.181
  273    HG3  GLU  35           HG3      GLU  35   1.758   7.555   7.681
  274    H    LYS  36           H        LYS  36   2.316   2.835   8.390
  275    HA   LYS  36           HA       LYS  36   4.639   3.991   9.613
  276    HB2  LYS  36           HB2      LYS  36   5.077   1.739  10.427
  277    HB3  LYS  36           HB3      LYS  36   3.358   2.152  10.615
  278    HG2  LYS  36           HG2      LYS  36   2.835   0.849   8.565
  279    HG3  LYS  36           HG3      LYS  36   4.555   0.415   8.410
  280    HD2  LYS  36           HD2      LYS  36   4.481  -0.652  10.650
  281    HD3  LYS  36           HD3      LYS  36   2.761  -0.229  10.784
  282    HE2  LYS  36           HE2      LYS  36   2.260  -1.579   8.782
  283    HE3  LYS  36           HE3      LYS  36   3.975  -1.987   8.609
  284    HZ1  LYS  36           HZ1      LYS  36   3.864  -3.063  10.760
  285    HZ2  LYS  36           HZ2      LYS  36   2.269  -2.698  10.902
  286    HZ3  LYS  36           HZ3      LYS  36   2.777  -3.729   9.725
  287    H    TYR  37           H        TYR  37   4.137   2.414   6.538
  288    HA   TYR  37           HA       TYR  37   6.906   1.720   6.111
  289    HB2  TYR  37           HB2      TYR  37   4.567   2.095   4.209
  290    HB3  TYR  37           HB3      TYR  37   6.161   1.515   3.712
  291    HD1  TYR  37           HD1      TYR  37   3.205   0.718   5.842
  292    HD2  TYR  37           HD2      TYR  37   6.855  -0.731   4.072
  293    HE1  TYR  37           HE1      TYR  37   2.614  -1.579   6.514
  294    HE2  TYR  37           HE2      TYR  37   6.256  -3.047   4.735
  295    HH   TYR  37           HH       TYR  37   3.273  -3.809   6.535
  296    H    GLY  38           H        GLY  38   5.150   4.722   5.992
  297    HA2  GLY  38           HA2      GLY  38   7.379   6.325   5.889
  298    HA3  GLY  38           HA3      GLY  38   7.000   6.055   4.180
  299    H    ARG  39           H        ARG  39   4.865   6.679   3.378
  300    HA   ARG  39           HA       ARG  39   3.089   8.256   5.050
  301    HB2  ARG  39           HB2      ARG  39   3.326  10.308   3.635
  302    HB3  ARG  39           HB3      ARG  39   4.664  10.003   4.754
  303    HG2  ARG  39           HG2      ARG  39   6.076   9.174   2.952
  304    HG3  ARG  39           HG3      ARG  39   4.723   9.256   1.810
  305    HD2  ARG  39           HD2      ARG  39   6.126  11.233   1.493
  306    HD3  ARG  39           HD3      ARG  39   4.584  11.722   2.194
  307    HE   ARG  39           HE       ARG  39   5.642  12.287   4.202
  308   HH11  ARG  39          HH11      ARG  39   7.926  10.721   1.989
  309   HH12  ARG  39          HH12      ARG  39   9.321  11.157   2.938
  310   HH21  ARG  39          HH21      ARG  39   7.502  12.842   5.421
  311   HH22  ARG  39          HH22      ARG  39   9.081  12.358   4.872
  312    H    VAL  40           H        VAL  40   1.296   9.166   3.773
  313    HA   VAL  40           HA       VAL  40   0.679   7.501   1.382
  314    HB   VAL  40           HB       VAL  40  -1.143   8.019   3.779
  315   HG11  VAL  40          HG11      VAL  40  -1.534   6.243   1.339
  316   HG12  VAL  40          HG12      VAL  40  -2.642   6.391   2.720
  317   HG13  VAL  40          HG13      VAL  40  -2.376   7.784   1.658
  318   HG21  VAL  40          HG21      VAL  40  -0.926   5.576   4.200
  319   HG22  VAL  40          HG22      VAL  40   0.284   5.472   2.898
  320   HG23  VAL  40          HG23      VAL  40   0.634   6.409   4.363
  321    H    GLY  41           H        GLY  41  -0.656   8.520  -0.114
  322    HA2  GLY  41           HA2      GLY  41  -1.001  11.459   0.292
  323    HA3  GLY  41           HA3      GLY  41  -0.789  10.638  -1.270
  324    H    ASP  42           H        ASP  42  -2.691   8.413  -0.299
  325    HA   ASP  42           HA       ASP  42  -5.158   9.774   0.330
  326    HB2  ASP  42           HB2      ASP  42  -4.886  10.085  -2.202
  327    HB3  ASP  42           HB3      ASP  42  -5.002   8.326  -2.349
  328    H    VAL  43           H        VAL  43  -6.893   8.265   0.717
  329    HA   VAL  43           HA       VAL  43  -6.584   5.416   0.583
  330    HB   VAL  43           HB       VAL  43  -4.984   5.578   2.330
  331   HG11  VAL  43          HG11      VAL  43  -5.358   7.888   3.066
  332   HG12  VAL  43          HG12      VAL  43  -6.864   7.395   3.887
  333   HG13  VAL  43          HG13      VAL  43  -5.306   6.750   4.429
  334   HG21  VAL  43          HG21      VAL  43  -6.775   3.871   2.628
  335   HG22  VAL  43          HG22      VAL  43  -5.999   4.390   4.136
  336   HG23  VAL  43          HG23      VAL  43  -7.620   4.998   3.715
  337    H    TYR  44           H        TYR  44  -8.675   5.500  -0.306
  338    HA   TYR  44           HA       TYR  44 -10.721   5.802   1.740
  339    HB2  TYR  44           HB2      TYR  44 -11.602   7.720   1.249
  340    HB3  TYR  44           HB3      TYR  44 -10.067   8.091   0.509
  341    HD1  TYR  44           HD1      TYR  44 -10.168   6.901  -2.208
  342    HD2  TYR  44           HD2      TYR  44 -13.273   8.739   0.169
  343    HE1  TYR  44           HE1      TYR  44 -11.448   7.430  -4.253
  344    HE2  TYR  44           HE2      TYR  44 -14.480   9.363  -1.885
  345    HH   TYR  44           HH       TYR  44 -13.290   8.389  -5.137
  346    H    ILE  45           H        ILE  45 -12.946   5.443   0.880
  347    HA   ILE  45           HA       ILE  45 -12.850   2.975  -0.762
  348    HB   ILE  45           HB       ILE  45 -15.101   4.051   0.972
  349   HG12  ILE  45          HG12      ILE  45 -13.092   3.802   2.363
  350   HG13  ILE  45          HG13      ILE  45 -14.316   2.587   2.759
  351   HG21  ILE  45          HG21      ILE  45 -14.430   1.271  -0.104
  352   HG22  ILE  45          HG22      ILE  45 -15.707   1.628   1.072
  353   HG23  ILE  45          HG23      ILE  45 -15.804   2.295  -0.573
  354   HD11  ILE  45          HD11      ILE  45 -13.079   0.875   1.494
  355   HD12  ILE  45          HD12      ILE  45 -11.912   2.111   0.950
  356   HD13  ILE  45          HD13      ILE  45 -11.993   1.658   2.661
  357    HA   PRO  46           HA       PRO  46 -14.382   5.975  -3.736
  358    HB2  PRO  46           HB2      PRO  46 -14.021   4.545  -6.023
  359    HB3  PRO  46           HB3      PRO  46 -12.650   5.237  -5.086
  360    HG2  PRO  46           HG2      PRO  46 -13.698   2.392  -4.983
  361    HG3  PRO  46           HG3      PRO  46 -12.003   2.946  -5.170
  362    HD2  PRO  46           HD2      PRO  46 -13.044   2.248  -2.743
  363    HD3  PRO  46           HD3      PRO  46 -11.861   3.587  -2.912
  364    H    ARG  47           H        ARG  47 -15.301   2.546  -3.983
  365    HA   ARG  47           HA       ARG  47 -17.116   1.476  -4.774
  366    HB2  ARG  47           HB2      ARG  47 -19.052   1.797  -3.237
  367    HB3  ARG  47           HB3      ARG  47 -17.487   1.585  -2.467
  368    HG2  ARG  47           HG2      ARG  47 -18.694   3.241  -1.258
  369    HG3  ARG  47           HG3      ARG  47 -17.350   4.046  -2.065
  370    HD2  ARG  47           HD2      ARG  47 -18.903   4.889  -3.815
  371    HD3  ARG  47           HD3      ARG  47 -20.230   3.998  -3.066
  372    HE   ARG  47           HE       ARG  47 -20.182   5.489  -1.188
  373   HH11  ARG  47          HH21      ARG  47 -17.919   6.450  -3.732
  374   HH12  ARG  47          HH22      ARG  47 -17.876   8.118  -3.226
  375   HH21  ARG  47          HH11      ARG  47 -20.068   7.662  -0.521
  376   HH22  ARG  47          HH12      ARG  47 -19.035   8.779  -1.375
  377    H    ASP  48           H        ASP  48 -19.642   1.588  -5.236
  378    HA   ASP  48           HA       ASP  48 -20.032   3.550  -7.375
  379    HB2  ASP  48           HB2      ASP  48 -21.850   1.501  -6.082
  380    HB3  ASP  48           HB3      ASP  48 -22.332   2.563  -7.429
  381    H    ARG  49           H        ARG  49 -20.254   5.526  -6.853
  382    HA   ARG  49           HA       ARG  49 -20.755   6.655  -4.370
  383    HB2  ARG  49           HB2      ARG  49 -19.610   8.023  -5.728
  384    HB3  ARG  49           HB3      ARG  49 -20.353   7.381  -7.179
  385    HG2  ARG  49           HG2      ARG  49 -22.372   8.810  -6.745
  386    HG3  ARG  49           HG3      ARG  49 -21.486   9.561  -5.397
  387    HD2  ARG  49           HD2      ARG  49 -19.672  10.199  -6.973
  388    HD3  ARG  49           HD3      ARG  49 -20.527   9.397  -8.281
  389    HE   ARG  49           HE       ARG  49 -22.345  11.055  -8.057
  390   HH11  ARG  49          HH11      ARG  49 -19.242  11.911  -6.559
  391   HH12  ARG  49          HH12      ARG  49 -19.638  13.610  -6.482
  392   HH21  ARG  49          HH21      ARG  49 -22.786  13.258  -7.981
  393   HH22  ARG  49          HH22      ARG  49 -21.612  14.374  -7.324
  394    H    TYR  50           H        TYR  50 -23.157   5.027  -5.970
  395    HA   TYR  50           HA       TYR  50 -25.239   6.697  -4.661
  396    HB2  TYR  50           HB2      TYR  50 -26.670   6.392  -6.689
  397    HB3  TYR  50           HB3      TYR  50 -25.248   7.400  -6.958
  398    HD1  TYR  50           HD1      TYR  50 -23.343   6.609  -8.265
  399    HD2  TYR  50           HD2      TYR  50 -26.848   4.182  -7.719
  400    HE1  TYR  50           HE1      TYR  50 -22.566   5.105 -10.064
  401    HE2  TYR  50           HE2      TYR  50 -26.075   2.645  -9.496
  402    HH   TYR  50           HH       TYR  50 -23.014   3.212 -11.293
  403    H    THR  51           H        THR  51 -23.840   3.650  -4.944
  404    HA   THR  51           HA       THR  51 -26.335   2.509  -3.774
  405    HB   THR  51           HB       THR  51 -25.856   0.330  -4.658
  406   HG21  THR  51          HG21      THR  51 -26.071   0.692  -7.053
  407   HG22  THR  51          HG22      THR  51 -26.982   1.966  -6.201
  408   HG23  THR  51          HG23      THR  51 -25.376   2.318  -6.904
  409    H    LYS  52           H        LYS  52 -22.946   3.049  -3.573
  410    HA   LYS  52           HA       LYS  52 -21.373   2.684  -2.043
  411    HB2  LYS  52           HB2      LYS  52 -23.647   2.993  -0.047
  412    HB3  LYS  52           HB3      LYS  52 -21.944   3.439   0.151
  413    HG2  LYS  52           HG2      LYS  52 -22.623   5.511  -0.452
  414    HG3  LYS  52           HG3      LYS  52 -22.646   4.872  -2.114
  415    HD2  LYS  52           HD2      LYS  52 -25.047   4.318  -1.853
  416    HD3  LYS  52           HD3      LYS  52 -24.995   4.894  -0.172
  417    HE2  LYS  52           HE2      LYS  52 -24.328   7.144  -0.973
  418    HE3  LYS  52           HE3      LYS  52 -24.412   6.576  -2.644
  419    HZ1  LYS  52           HZ1      LYS  52 -26.667   6.650  -0.747
  420    HZ2  LYS  52           HZ2      LYS  52 -26.428   7.692  -1.992
  421    HZ3  LYS  52           HZ3      LYS  52 -26.751   6.106  -2.296
  422    H    GLU  53           H        GLU  53 -22.311   0.165  -2.989
  423    HA   GLU  53           HA       GLU  53 -21.879  -1.446  -0.523
  424    HB2  GLU  53           HB2      GLU  53 -23.383  -3.155  -1.400
  425    HB3  GLU  53           HB3      GLU  53 -24.215  -1.598  -1.249
  426    HG2  GLU  53           HG2      GLU  53 -23.927  -1.194  -3.661
  427    HG3  GLU  53           HG3      GLU  53 -23.042  -2.713  -3.831
  428    H    SER  54           H        SER  54 -20.301  -0.458  -3.159
  429    HA   SER  54           HA       SER  54 -19.334  -2.928  -4.292
  430    HB2  SER  54           HB2      SER  54 -17.924  -0.253  -4.240
  431    HB3  SER  54           HB3      SER  54 -17.794  -1.530  -5.470
  432    HG   SER  54           HG       SER  54 -19.949  -1.100  -6.037
  433    H    ARG  55           H        ARG  55 -18.799  -1.522  -1.246
  434    HA   ARG  55           HA       ARG  55 -16.215  -1.606  -0.594
  435    HB2  ARG  55           HB2      ARG  55 -16.921  -2.212   1.663
  436    HB3  ARG  55           HB3      ARG  55 -18.027  -1.041   0.936
  437    HG2  ARG  55           HG2      ARG  55 -19.610  -2.890   0.372
  438    HG3  ARG  55           HG3      ARG  55 -18.517  -4.047   1.165
  439    HD2  ARG  55           HD2      ARG  55 -18.728  -2.807   3.279
  440    HD3  ARG  55           HD3      ARG  55 -19.813  -1.639   2.502
  441    HE   ARG  55           HE       ARG  55 -20.850  -4.261   2.097
  442   HH11  ARG  55          HH21      ARG  55 -20.343  -1.923   4.694
  443   HH12  ARG  55          HH22      ARG  55 -21.691  -2.510   5.650
  444   HH21  ARG  55          HH11      ARG  55 -22.624  -4.978   3.339
  445   HH22  ARG  55          HH12      ARG  55 -22.980  -4.238   4.882
  446    H    GLY  56           H        GLY  56 -14.750  -2.874   0.045
  447    HA2  GLY  56           HA2      GLY  56 -14.273  -5.437   0.599
  448    HA3  GLY  56           HA3      GLY  56 -14.685  -5.597  -1.123
  449    H    PHE  57           H        PHE  57 -13.381  -2.581  -1.005
  450    HA   PHE  57           HA       PHE  57 -10.558  -3.203  -0.608
  451    HB2  PHE  57           HB2      PHE  57  -9.908  -2.513  -2.857
  452    HB3  PHE  57           HB3      PHE  57 -10.883  -3.980  -2.898
  453    HD1  PHE  57           HD1      PHE  57 -13.415  -3.723  -3.445
  454    HD2  PHE  57           HD2      PHE  57 -10.483  -0.660  -4.179
  455    HE1  PHE  57           HE1      PHE  57 -14.898  -2.716  -5.150
  456    HE2  PHE  57           HE2      PHE  57 -11.981   0.361  -5.871
  457    HZ   PHE  57           HZ       PHE  57 -14.193  -0.652  -6.337
  458    H    ALA  58           H        ALA  58  -9.251  -1.201  -0.973
  459    HA   ALA  58           HA       ALA  58 -10.740   1.337  -0.705
  460    HB1  ALA  58           HB1      ALA  58  -8.657   0.385   1.311
  461    HB2  ALA  58           HB2      ALA  58  -9.499   1.946   1.316
  462    HB3  ALA  58           HB3      ALA  58 -10.402   0.442   1.627
  463    H    PHE  59           H        PHE  59  -9.847   2.385  -2.453
  464    HA   PHE  59           HA       PHE  59  -7.186   1.704  -3.367
  465    HB2  PHE  59           HB2      PHE  59  -8.846   2.433  -4.972
  466    HB3  PHE  59           HB3      PHE  59  -9.128   3.933  -4.082
  467    HD1  PHE  59           HD1      PHE  59  -7.502   5.767  -4.108
  468    HD2  PHE  59           HD2      PHE  59  -6.933   2.273  -6.580
  469    HE1  PHE  59           HE1      PHE  59  -5.815   6.967  -5.434
  470    HE2  PHE  59           HE2      PHE  59  -5.222   3.476  -7.866
  471    HZ   PHE  59           HZ       PHE  59  -4.617   5.800  -7.292
  472    H    VAL  60           H        VAL  60  -5.476   2.174  -2.125
  473    HA   VAL  60           HA       VAL  60  -5.407   4.940  -0.994
  474    HB   VAL  60           HB       VAL  60  -4.280   4.307   0.839
  475   HG11  VAL  60          HG11      VAL  60  -5.458   1.578   0.246
  476   HG12  VAL  60          HG12      VAL  60  -5.235   2.376   1.823
  477   HG13  VAL  60          HG13      VAL  60  -6.448   3.000   0.693
  478   HG21  VAL  60          HG21      VAL  60  -2.268   3.482  -0.037
  479   HG22  VAL  60          HG22      VAL  60  -2.890   2.168   0.973
  480   HG23  VAL  60          HG23      VAL  60  -3.062   2.100  -0.810
  481    H    ARG  61           H        ARG  61  -3.075   5.822  -0.862
  482    HA   ARG  61           HA       ARG  61  -1.693   5.142  -3.393
  483    HB2  ARG  61           HB2      ARG  61  -3.606   6.796  -3.711
  484    HB3  ARG  61           HB3      ARG  61  -2.702   7.932  -2.705
  485    HG2  ARG  61           HG2      ARG  61  -0.797   7.816  -4.325
  486    HG3  ARG  61           HG3      ARG  61  -1.772   6.698  -5.318
  487    HD2  ARG  61           HD2      ARG  61  -3.612   8.512  -5.175
  488    HD3  ARG  61           HD3      ARG  61  -2.329   9.608  -4.641
  489    HE   ARG  61           HE       ARG  61  -1.153   8.858  -6.840
  490   HH11  ARG  61          HH11      ARG  61  -4.635   9.241  -6.374
  491   HH12  ARG  61          HH12      ARG  61  -4.962   9.394  -8.078
  492   HH21  ARG  61          HH21      ARG  61  -1.582   9.160  -9.044
  493   HH22  ARG  61          HH22      ARG  61  -3.231   9.404  -9.592
  494    H    PHE  62           H        PHE  62   0.474   5.550  -3.395
  495    HA   PHE  62           HA       PHE  62   1.597   7.076  -1.062
  496    HB2  PHE  62           HB2      PHE  62   2.696   4.710  -2.602
  497    HB3  PHE  62           HB3      PHE  62   3.720   5.779  -1.679
  498    HD1  PHE  62           HD2      PHE  62   0.464   3.951  -1.047
  499    HD2  PHE  62           HD1      PHE  62   4.356   5.102   0.385
  500    HE1  PHE  62           HE2      PHE  62   0.091   2.645   1.028
  501    HE2  PHE  62           HE1      PHE  62   4.010   3.726   2.420
  502    HZ   PHE  62           HZ       PHE  62   1.904   2.476   2.726
  503    H    HIS  63           H        HIS  63   3.717   8.098  -1.519
  504    HA   HIS  63           HA       HIS  63   3.818   9.159  -4.298
  505    HB2  HIS  63           HB2      HIS  63   4.859  11.156  -2.657
  506    HB3  HIS  63           HB3      HIS  63   3.330  11.150  -3.510
  507    HD2  HIS  63           HD2      HIS  63   4.039   9.299  -0.070
  508    HE1  HIS  63           HE1      HIS  63   1.008  12.216   0.498
  509    HE2  HIS  63           HE2      HIS  63   2.343  10.348   1.592
  510    H    ASP  64           H        ASP  64   5.643   8.170  -1.424
  511    HA   ASP  64           HA       ASP  64   8.223   8.738  -2.683
  512    HB2  ASP  64           HB2      ASP  64   7.193   7.489  -0.154
  513    HB3  ASP  64           HB3      ASP  64   8.859   7.132  -0.665
  514    H    LYS  65           H        LYS  65   9.226   7.432  -4.135
  515    HA   LYS  65           HA       LYS  65   8.087   4.975  -5.010
  516    HB2  LYS  65           HB2      LYS  65   9.482   6.226  -6.499
  517    HB3  LYS  65           HB3      LYS  65  10.802   6.269  -5.333
  518    HG2  LYS  65           HG2      LYS  65  11.223   4.675  -7.190
  519    HG3  LYS  65           HG3      LYS  65  11.229   3.898  -5.609
  520    HD2  LYS  65           HD2      LYS  65  10.074   2.526  -7.295
  521    HD3  LYS  65           HD3      LYS  65   8.988   2.985  -5.979
  522    HE2  LYS  65           HE2      LYS  65   7.825   3.196  -8.067
  523    HE3  LYS  65           HE3      LYS  65   8.064   4.813  -7.379
  524    HZ1  LYS  65           HZ1      LYS  65   9.706   3.607  -9.511
  525    HZ2  LYS  65           HZ2      LYS  65   8.562   4.772  -9.719
  526    HZ3  LYS  65           HZ3      LYS  65   9.924   5.107  -8.876
  527    H    ARG  66           H        ARG  66  10.967   5.598  -2.911
  528    HA   ARG  66           HA       ARG  66  11.594   2.858  -2.584
  529    HB2  ARG  66           HB2      ARG  66  13.034   3.514  -0.807
  530    HB3  ARG  66           HB3      ARG  66  13.178   4.658  -2.127
  531    HG2  ARG  66           HG2      ARG  66  11.501   5.123   0.377
  532    HG3  ARG  66           HG3      ARG  66  13.174   5.644   0.195
  533    HD2  ARG  66           HD2      ARG  66  10.819   6.614  -1.462
  534    HD3  ARG  66           HD3      ARG  66  11.680   7.507  -0.201
  535    HE   ARG  66           HE       ARG  66  13.445   6.580  -2.314
  536   HH11  ARG  66          HH11      ARG  66  11.178   9.162  -1.402
  537   HH12  ARG  66          HH12      ARG  66  11.903  10.319  -2.489
  538   HH21  ARG  66          HH21      ARG  66  14.375   8.142  -3.683
  539   HH22  ARG  66          HH22      ARG  66  13.702   9.755  -3.768
  540    H    ASP  67           H        ASP  67   9.253   4.878  -0.819
  541    HA   ASP  67           HA       ASP  67   8.916   2.817   1.245
  542    HB2  ASP  67           HB2      ASP  67   7.379   5.367   0.647
  543    HB3  ASP  67           HB3      ASP  67   7.122   4.331   2.058
  544    H    ALA  68           H        ALA  68   7.614   3.568  -1.910
  545    HA   ALA  68           HA       ALA  68   5.083   2.203  -1.480
  546    HB1  ALA  68           HB1      ALA  68   6.589   3.233  -3.922
  547    HB2  ALA  68           HB2      ALA  68   4.973   2.513  -4.000
  548    HB3  ALA  68           HB3      ALA  68   5.213   4.027  -3.095
  549    H    GLU  69           H        GLU  69   8.258   1.537  -3.072
  550    HA   GLU  69           HA       GLU  69   7.365  -1.036  -4.010
  551    HB2  GLU  69           HB2      GLU  69   9.727  -1.423  -4.584
  552    HB3  GLU  69           HB3      GLU  69   9.165   0.144  -5.177
  553    HG2  GLU  69           HG2      GLU  69  10.296   1.312  -3.397
  554    HG3  GLU  69           HG3      GLU  69  10.636  -0.187  -2.536
  555    H    ASP  70           H        ASP  70   8.784   0.128  -0.971
  556    HA   ASP  70           HA       ASP  70   9.490  -2.536  -0.081
  557    HB2  ASP  70           HB2      ASP  70  10.497  -0.431   0.814
  558    HB3  ASP  70           HB3      ASP  70   8.927   0.001   1.503
  559    H    ALA  71           H        ALA  71   6.594  -0.415   0.242
  560    HA   ALA  71           HA       ALA  71   5.284  -2.075   2.144
  561    HB1  ALA  71           HB1      ALA  71   3.265  -0.819   1.475
  562    HB2  ALA  71           HB2      ALA  71   4.656   0.271   1.691
  563    HB3  ALA  71           HB3      ALA  71   4.119  -0.182   0.055
  564    H    MET  72           H        MET  72   5.446  -2.230  -1.435
  565    HA   MET  72           HA       MET  72   3.321  -4.221  -1.523
  566    HB2  MET  72           HB2      MET  72   3.450  -4.085  -3.766
  567    HB3  MET  72           HB3      MET  72   4.209  -2.537  -3.369
  568    HG2  MET  72           HG2      MET  72   6.438  -3.554  -3.690
  569    HG3  MET  72           HG3      MET  72   5.680  -5.130  -3.976
  570    HE1  MET  72           HE1      MET  72   5.091  -1.480  -5.015
  571    HE2  MET  72           HE2      MET  72   6.738  -1.716  -5.641
  572    HE3  MET  72           HE3      MET  72   5.391  -1.491  -6.776
  573    H    ASP  73           H        ASP  73   6.872  -4.160  -1.491
  574    HA   ASP  73           HA       ASP  73   7.155  -7.027  -1.813
  575    HB2  ASP  73           HB2      ASP  73   8.793  -5.316  -2.582
  576    HB3  ASP  73           HB3      ASP  73   9.157  -4.934  -0.887
  577    H    ALA  74           H        ALA  74   5.914  -5.326   0.789
  578    HA   ALA  74           HA       ALA  74   7.115  -7.262   2.708
  579    HB1  ALA  74           HB1      ALA  74   6.471  -4.341   3.141
  580    HB2  ALA  74           HB2      ALA  74   7.106  -5.456   4.383
  581    HB3  ALA  74           HB3      ALA  74   8.109  -5.023   2.976
  582    H    MET  75           H        MET  75   4.201  -6.097   1.316
  583    HA   MET  75           HA       MET  75   2.770  -7.488   3.531
  584    HB2  MET  75           HB2      MET  75   2.728  -4.803   3.462
  585    HB3  MET  75           HB3      MET  75   1.432  -5.137   2.269
  586    HG2  MET  75           HG2      MET  75   0.496  -6.781   3.984
  587    HG3  MET  75           HG3      MET  75   1.642  -6.095   5.140
  588    HE1  MET  75           HE1      MET  75   1.530  -3.515   5.971
  589    HE2  MET  75           HE2      MET  75   1.646  -3.048   4.252
  590    HE3  MET  75           HE3      MET  75   0.390  -2.333   5.283
  591    H    ASP  76           H        ASP  76   2.861  -6.674   0.037
  592    HA   ASP  76           HA       ASP  76   0.231  -7.659  -0.479
  593    HB2  ASP  76           HB2      ASP  76   1.399  -6.274  -2.091
  594    HB3  ASP  76           HB3      ASP  76   2.720  -7.458  -2.221
  595    H    GLY  77           H        GLY  77  -0.544  -9.642  -0.812
  596    HA2  GLY  77           HA2      GLY  77  -0.603 -11.923  -1.218
  597    HA3  GLY  77           HA3      GLY  77   1.157 -11.911  -1.464
  598    H    ALA  78           H        ALA  78   0.309 -10.418   1.509
  599    HA   ALA  78           HA       ALA  78   1.421 -12.682   2.986
  600    HB1  ALA  78           HB1      ALA  78   0.427  -9.948   3.926
  601    HB2  ALA  78           HB2      ALA  78   1.374 -11.091   4.898
  602    HB3  ALA  78           HB3      ALA  78   2.101 -10.326   3.469
  603    H    VAL  79           H        VAL  79  -1.022 -13.195   1.713
  604    HA   VAL  79           HA       VAL  79  -3.270 -12.695   3.434
  605    HB   VAL  79           HB       VAL  79  -3.039 -14.567   1.077
  606   HG11  VAL  79          HG11      VAL  79  -5.483 -13.222   2.149
  607   HG12  VAL  79          HG12      VAL  79  -5.321 -14.131   0.622
  608   HG13  VAL  79          HG13      VAL  79  -5.093 -14.981   2.150
  609   HG21  VAL  79          HG21      VAL  79  -3.749 -11.588   1.092
  610   HG22  VAL  79          HG22      VAL  79  -2.272 -12.294   0.414
  611   HG23  VAL  79          HG23      VAL  79  -3.841 -12.672  -0.318
  612    H    LEU  80           H        LEU  80  -4.769 -14.430   4.117
  613    HA   LEU  80           HA       LEU  80  -3.666 -17.081   4.606
  614    HB2  LEU  80           HB2      LEU  80  -3.552 -17.067   6.925
  615    HB3  LEU  80           HB3      LEU  80  -2.771 -15.556   6.462
  616    HG   LEU  80           HG       LEU  80  -5.591 -15.902   7.579
  617   HD11  LEU  80          HD11      LEU  80  -3.740 -16.147   9.185
  618   HD12  LEU  80          HD12      LEU  80  -3.086 -14.572   8.680
  619   HD13  LEU  80          HD13      LEU  80  -4.678 -14.668   9.482
  620   HD21  LEU  80          HD21      LEU  80  -5.632 -14.036   5.995
  621   HD22  LEU  80          HD22      LEU  80  -5.650 -13.419   7.654
  622   HD23  LEU  80          HD23      LEU  80  -4.139 -13.368   6.723
  623    H    ASP  81           H        ASP  81  -6.145 -15.399   3.533
  624    HA   ASP  81           HA       ASP  81  -8.179 -17.268   4.625
  625    HB2  ASP  81           HB2      ASP  81  -8.263 -15.122   5.912
  626    HB3  ASP  81           HB3      ASP  81  -8.476 -14.254   4.384
  627    H    GLY  82           H        GLY  82  -6.586 -16.299   1.973
  628    HA2  GLY  82           HA2      GLY  82  -7.240 -16.941  -0.244
  629    HA3  GLY  82           HA3      GLY  82  -8.936 -16.644   0.190
  630    H    ARG  83           H        ARG  83  -7.571 -14.110   1.617
  631    HA   ARG  83           HA       ARG  83  -6.731 -12.348  -0.458
  632    HB2  ARG  83           HB2      ARG  83  -8.833 -12.223  -1.374
  633    HB3  ARG  83           HB3      ARG  83  -9.670 -12.543   0.145
  634    HG2  ARG  83           HG2      ARG  83  -8.119  -9.987  -0.105
  635    HG3  ARG  83           HG3      ARG  83  -9.605 -10.140  -1.058
  636    HD2  ARG  83           HD2      ARG  83  -9.361 -10.316   1.976
  637    HD3  ARG  83           HD3      ARG  83 -10.103  -9.038   1.029
  638    HE   ARG  83           HE       ARG  83 -11.940 -10.452   0.497
  639   HH11  ARG  83          HH11      ARG  83  -9.634 -12.030   2.683
  640   HH12  ARG  83          HH12      ARG  83 -10.785 -13.234   3.204
  641   HH21  ARG  83          HH21      ARG  83 -13.408 -12.040   1.206
  642   HH22  ARG  83          HH22      ARG  83 -12.907 -13.230   2.387
  643    H    GLU  84           H        GLU  84  -5.411 -11.032   0.701
  644    HA   GLU  84           HA       GLU  84  -6.584  -9.826   3.134
  645    HB2  GLU  84           HB2      GLU  84  -3.753 -10.883   2.960
  646    HB3  GLU  84           HB3      GLU  84  -4.304  -9.737   4.171
  647    HG2  GLU  84           HG2      GLU  84  -5.617 -12.450   3.849
  648    HG3  GLU  84           HG3      GLU  84  -4.273 -12.135   4.921
  649    H    LEU  85           H        LEU  85  -3.844  -9.665   0.726
  650    HA   LEU  85           HA       LEU  85  -4.357  -6.739   0.500
  651    HB2  LEU  85           HB2      LEU  85  -1.657  -8.159   0.744
  652    HB3  LEU  85           HB3      LEU  85  -1.854  -6.513   0.167
  653    HG   LEU  85           HG       LEU  85  -1.064  -6.326   2.330
  654   HD11  LEU  85          HD11      LEU  85  -4.063  -5.841   2.486
  655   HD12  LEU  85          HD12      LEU  85  -2.806  -5.098   3.499
  656   HD13  LEU  85          HD13      LEU  85  -2.863  -4.756   1.754
  657   HD21  LEU  85          HD21      LEU  85  -1.923  -7.401   4.284
  658   HD22  LEU  85          HD22      LEU  85  -3.292  -8.080   3.388
  659   HD23  LEU  85          HD23      LEU  85  -1.624  -8.636   3.042
  660    H    ARG  86           H        ARG  86  -3.809  -5.797  -1.375
  661    HA   ARG  86           HA       ARG  86  -2.419  -7.242  -3.512
  662    HB2  ARG  86           HB2      ARG  86  -5.258  -6.202  -3.743
  663    HB3  ARG  86           HB3      ARG  86  -4.172  -6.160  -5.140
  664    HG2  ARG  86           HG2      ARG  86  -4.862  -8.657  -3.545
  665    HG3  ARG  86           HG3      ARG  86  -5.583  -8.199  -5.094
  666    HD2  ARG  86           HD2      ARG  86  -2.627  -8.798  -4.604
  667    HD3  ARG  86           HD3      ARG  86  -3.792  -9.872  -5.368
  668    HE   ARG  86           HE       ARG  86  -4.043  -8.231  -7.189
  669   HH11  ARG  86          HH11      ARG  86  -1.123  -7.919  -5.170
  670   HH12  ARG  86          HH12      ARG  86  -0.238  -7.088  -6.415
  671   HH21  ARG  86          HH21      ARG  86  -2.842  -7.151  -8.761
  672   HH22  ARG  86          HH22      ARG  86  -1.196  -6.667  -8.442
  673    H    VAL  87           H        VAL  87  -0.731  -5.914  -3.691
  674    HA   VAL  87           HA       VAL  87  -1.256  -2.970  -3.786
  675    HB   VAL  87           HB       VAL  87   1.149  -4.307  -2.517
  676   HG11  VAL  87          HG11      VAL  87   1.554  -2.035  -1.604
  677   HG12  VAL  87          HG12      VAL  87   1.609  -2.073  -3.376
  678   HG13  VAL  87          HG13      VAL  87   0.181  -1.423  -2.558
  679   HG21  VAL  87          HG21      VAL  87  -0.725  -4.838  -1.111
  680   HG22  VAL  87          HG22      VAL  87   0.195  -3.545  -0.340
  681   HG23  VAL  87          HG23      VAL  87  -1.327  -3.162  -1.202
  682    H    GLN  88           H        GLN  88  -0.302  -1.916  -5.423
  683    HA   GLN  88           HA       GLN  88   2.083  -2.759  -6.787
  684    HB2  GLN  88           HB2      GLN  88   0.165  -4.387  -7.547
  685    HB3  GLN  88           HB3      GLN  88  -0.470  -2.984  -8.425
  686    HG2  GLN  88           HG2      GLN  88   1.565  -2.842  -9.750
  687    HG3  GLN  88           HG3      GLN  88   2.357  -4.079  -8.753
  688   HE21  GLN  88          HE22      GLN  88   1.976  -4.171 -11.632
  689   HE22  GLN  88          HE21      GLN  88   0.977  -5.573 -11.962
  690    H    MET  89           H        MET  89   2.223  -1.410  -8.904
  691    HA   MET  89           HA       MET  89   1.849   1.354  -8.128
  692    HB2  MET  89           HB2      MET  89   2.902  -0.056 -10.602
  693    HB3  MET  89           HB3      MET  89   2.996   1.710 -10.355
  694    HG2  MET  89           HG2      MET  89   3.981  -0.221  -8.229
  695    HG3  MET  89           HG3      MET  89   5.006   0.178  -9.593
  696    HE1  MET  89           HE1      MET  89   5.512   0.634  -6.386
  697    HE2  MET  89           HE2      MET  89   6.736   0.884  -7.656
  698    HE3  MET  89           HE3      MET  89   6.412   2.166  -6.455
  699    H    ALA  90           H        ALA  90   0.282   2.796  -8.873
  700    HA   ALA  90           HA       ALA  90  -2.094   1.780 -10.141
  701    HB1  ALA  90           HB1      ALA  90  -1.211   4.655  -9.736
  702    HB2  ALA  90           HB2      ALA  90  -2.874   4.051  -9.992
  703    HB3  ALA  90           HB3      ALA  90  -1.998   3.650  -8.505
  704    H    ARG  91           H        ARG  91  -2.921   2.272 -12.230
  705    HA   ARG  91           HA       ARG  91  -1.090   3.510 -14.199
  706    HB2  ARG  91           HB2      ARG  91  -2.452   0.814 -14.602
  707    HB3  ARG  91           HB3      ARG  91  -1.532   1.702 -15.816
  708    HG2  ARG  91           HG2      ARG  91   0.500   1.557 -14.406
  709    HG3  ARG  91           HG3      ARG  91  -0.408   0.609 -13.203
  710    HD2  ARG  91           HD2      ARG  91  -0.874  -1.122 -14.882
  711    HD3  ARG  91           HD3      ARG  91   0.004  -0.189 -16.112
  712    HE   ARG  91           HE       ARG  91   1.762  -0.547 -13.951
  713   HH11  ARG  91          HH11      ARG  91   0.061  -2.545 -16.318
  714   HH12  ARG  91          HH12      ARG  91   1.293  -3.789 -16.330
  715   HH21  ARG  91          HH21      ARG  91   3.357  -2.181 -13.987
  716   HH22  ARG  91          HH22      ARG  91   3.150  -3.579 -15.017
  717    H    TYR  92           H        TYR  92  -3.605   4.134 -12.689
  718    HA   TYR  92           HA       TYR  92  -5.302   4.981 -14.950
  719    HB2  TYR  92           HB2      TYR  92  -6.156   2.815 -14.267
  720    HB3  TYR  92           HB3      TYR  92  -6.143   3.297 -12.576
  721    HD1  TYR  92           HD1      TYR  92  -7.445   5.440 -15.388
  722    HD2  TYR  92           HD2      TYR  92  -8.363   2.809 -12.112
  723    HE1  TYR  92           HE1      TYR  92  -9.818   6.126 -15.507
  724    HE2  TYR  92           HE2      TYR  92 -10.717   3.508 -12.179
  725    HH   TYR  92           HH       TYR  92 -11.918   5.892 -14.603
  726    H    GLY  93           H        GLY  93  -6.827   6.774 -14.117
  727    HA2  GLY  93           HA2      GLY  93  -5.229   8.305 -12.099
  728    HA3  GLY  93           HA3      GLY  93  -5.952   8.998 -13.536
  729    H    ARG  94           H        ARG  94  -6.441  10.375 -11.479
  730    HA   ARG  94           HA       ARG  94  -8.519   9.704  -9.669
  731    HB2  ARG  94           HB2      ARG  94  -7.602  12.402 -10.768
  732    HB3  ARG  94           HB3      ARG  94  -8.578  12.183  -9.322
  733    HG2  ARG  94           HG2      ARG  94  -6.648  10.697  -8.441
  734    HG3  ARG  94           HG3      ARG  94  -5.686  11.355  -9.778
  735    HD2  ARG  94           HD2      ARG  94  -5.272  12.726  -7.841
  736    HD3  ARG  94           HD3      ARG  94  -6.273  13.662  -8.965
  737    HE   ARG  94           HE       ARG  94  -7.623  12.119  -6.816
  738   HH11  ARG  94          HH11      ARG  94  -6.615  15.285  -8.048
  739   HH12  ARG  94          HH12      ARG  94  -7.671  16.158  -6.967
  740   HH21  ARG  94          HH21      ARG  94  -8.954  13.284  -5.422
  741   HH22  ARG  94          HH22      ARG  94  -8.992  15.032  -5.476
  742    HA   PRO  95           HA       PRO  95 -12.566  10.057 -11.309
  743    HB2  PRO  95           HB2      PRO  95 -12.511  12.809 -10.063
  744    HB3  PRO  95           HB3      PRO  95 -13.888  11.667 -10.178
  745    HG2  PRO  95           HG2      PRO  95 -12.318  11.757  -7.943
  746    HG3  PRO  95           HG3      PRO  95 -12.880  10.188  -8.581
  747    HD2  PRO  95           HD2      PRO  95 -10.159  11.338  -8.639
  748    HD3  PRO  95           HD3      PRO  95 -10.676   9.652  -8.815
  749    HA   PRO  96           HA       PRO  96 -11.403  12.442 -15.005
  750    HB2  PRO  96           HB2      PRO  96 -12.310  10.669 -16.879
  751    HB3  PRO  96           HB3      PRO  96 -10.765  10.433 -16.008
  752    HG2  PRO  96           HG2      PRO  96 -13.452   9.164 -15.425
  753    HG3  PRO  96           HG3      PRO  96 -11.842   8.384 -15.474
  754    HD2  PRO  96           HD2      PRO  96 -13.058   9.220 -13.142
  755    HD3  PRO  96           HD3      PRO  96 -11.287   9.165 -13.356
  756    H    ASP  97           H        ASP  97 -14.450  10.485 -14.964
  757    HA   ASP  97           HA       ASP  97 -16.123  12.791 -14.753
  758    HB2  ASP  97           HB2      ASP  97 -15.313  12.909 -17.191
  759    HB3  ASP  97           HB3      ASP  97 -16.099  11.344 -17.442
  760    H    SER  98           H        SER  98 -15.637  10.032 -13.754
  761    HA   SER  98           HA       SER  98 -17.681   8.219 -14.585
  762    HB2  SER  98           HB2      SER  98 -16.349   8.405 -11.863
  763    HB3  SER  98           HB3      SER  98 -17.093   6.971 -12.576
  764    HG   SER  98           HG       SER  98 -14.777   7.085 -12.782
  765    H    HIS  99           H        HIS  99 -18.160  11.162 -13.078
  766    HA   HIS  99           HA       HIS  99 -20.612  10.260 -11.700
  767    HB2  HIS  99           HB2      HIS  99 -19.916  11.424  -9.654
  768    HB3  HIS  99           HB3      HIS  99 -18.762  10.152 -10.082
  769    HD2  HIS  99           HD2      HIS  99 -18.858  13.691  -9.059
  770    HE1  HIS  99           HE1      HIS  99 -15.162  13.375 -11.142
  771    HE2  HIS  99           HE2      HIS  99 -16.560  14.833  -9.583
  772    H    HIS 100           H        HIS 100 -19.434  12.148 -14.007
  773    HA   HIS 100           HA       HIS 100 -19.930  14.115 -14.998
  774    HB2  HIS 100           HB2      HIS 100 -22.145  13.003 -14.917
  775    HB3  HIS 100           HB3      HIS 100 -22.522  13.909 -13.446
  776    HD2  HIS 100           HD2      HIS 100 -24.310  15.619 -14.185
  777    HE1  HIS 100           HE1      HIS 100 -22.420  17.189 -17.657
  778    HE2  HIS 100           HE2      HIS 100 -24.424  17.404 -16.103
  779    H    SER 101           H        SER 101 -20.933  16.467 -14.544
  780    HA   SER 101           HA       SER 101 -20.069  17.488 -11.901
  781    HB2  SER 101           HB2      SER 101 -18.918  18.415 -14.566
  782    HB3  SER 101           HB3      SER 101 -18.680  19.221 -13.003
  783    HG   SER 101           HG       SER 101 -16.967  17.771 -13.548
  784    H5'    U 102           H5'        U 102 -13.936  -2.295 -10.108
  785   H5''    U 102          H5''        U 102 -13.369  -3.189 -11.526
  786    H4'    U 102           H4'        U 102 -11.564  -3.022  -9.941
  787    H3'    U 102           H3'        U 102 -12.324  -5.462 -11.012
  788    H2'    U 102           H2'        U 102 -13.689  -5.946  -9.024
  789   HO2'    U 102          HO2'        U 102 -12.274  -7.747  -9.454
  790    H1'    U 102           H1'        U 102 -11.201  -4.937  -7.608
  791    H3     U 102           H3         U 102 -12.503  -6.454  -3.541
  792    H5     U 102           H5         U 102 -16.154  -5.705  -5.499
  793    H6     U 102           H6         U 102 -14.861  -4.938  -7.440
  794   HO5'    U 102          HO5'        U 102 -15.442  -3.875 -10.794
  795    H5'    G 103           H5'        G 103  -8.158  -3.543  -8.498
  796   H5''    G 103          H5''        G 103  -9.908  -3.508  -8.200
  797    H4'    G 103           H4'        G 103  -9.262  -1.445  -7.293
  798    H3'    G 103           H3'        G 103 -10.744  -1.275  -9.653
  799    H2'    G 103           H2'        G 103  -8.794  -1.069 -10.974
  800   HO2'    G 103          HO2'        G 103 -10.326   1.005 -10.923
  801    H1'    G 103           H1'        G 103  -7.912   0.909  -8.849
  802    H8     G 103           H8         G 103  -6.183   2.206 -10.146
  803    H1     G 103           H1         G 103  -3.747  -3.100 -12.844
  804    H21    G 103           H21        G 103  -5.064  -4.853 -12.319
  805    H22    G 103           H22        G 103  -6.499  -4.648 -11.335
  806    H5'    G 104           H5'        G 104 -11.183   3.751  -9.548
  807   H5''    G 104          H5''        G 104  -9.910   3.242  -8.413
  808    H4'    G 104           H4'        G 104 -12.178   4.555  -7.092
  809    H3'    G 104           H3'        G 104 -10.621   6.103  -9.166
  810    H2'    G 104           H2'        G 104 -11.029   8.012  -7.775
  811   HO2'    G 104          HO2'        G 104 -13.225   7.417  -7.197
  812    H1'    G 104           H1'        G 104 -10.363   6.706  -5.479
  813    H8     G 104           H8         G 104  -8.811   8.757  -5.658
  814    H1     G 104           H1         G 104  -5.605   6.079 -10.534
  815    H21    G 104           H21        G 104  -6.567   4.155 -11.074
  816    H22    G 104           H22        G 104  -8.009   3.580 -10.242
  817    H5'    A 105           H5'        A 105 -15.713   8.364 -10.061
  818   H5''    A 105          H5''        A 105 -14.540   9.650 -10.344
  819    H4'    A 105           H4'        A 105 -15.404  10.885  -8.686
  820    H3'    A 105           H3'        A 105 -14.313   8.946  -7.031
  821    H2'    A 105           H2'        A 105 -15.996   7.514  -6.462
  822   HO2'    A 105          HO2'        A 105 -17.334   9.848  -5.607
  823    H1'    A 105           H1'        A 105 -18.406   8.677  -7.431
  824    H8     A 105           H8         A 105 -15.410   6.548  -8.096
  825    H61    A 105           H61        A 105 -19.143   3.075 -11.654
  826    H62    A 105           H62        A 105 -17.545   3.188 -10.941
  827    H2     A 105           H2         A 105 -21.356   6.719 -10.411
  828    H5'    G 106           H5'        G 106 -16.145  10.455  -3.640
  829   H5''    G 106          H5''        G 106 -17.671  11.338  -3.722
  830    H4'    G 106           H4'        G 106 -16.984  11.491  -1.486
  831    H3'    G 106           H3'        G 106 -17.380  13.853  -2.788
  832    H2'    G 106           H2'        G 106 -15.243  14.097  -3.651
  833   HO2'    G 106          HO2'        G 106 -14.911  15.347  -1.134
  834    H1'    G 106           H1'        G 106 -13.805  13.342  -1.108
  835    H8     G 106           H8         G 106 -13.907  13.551  -4.887
  836    H1     G 106           H1         G 106  -8.757  10.474  -2.608
  837    H21    G 106           H21        G 106  -9.012  10.120  -0.422
  838    H22    G 106           H22        G 106 -10.464  10.608   0.433
  839    H5'    U 107           H5'        U 107 -18.453  15.820   2.603
  840   H5''    U 107          H5''        U 107 -19.303  16.037   1.064
  841    H4'    U 107           H4'        U 107 -16.281  15.775   1.183
  842    H3'    U 107           H3'        U 107 -17.479  17.749   2.683
  843   HO3'    U 107          HO3'        U 107 -15.682  19.038   2.173
  844    H2'    U 107           H2'        U 107 -18.895  18.494   0.991
  845   HO2'    U 107          HO2'        U 107 -17.768  20.327   1.704
  846    H1'    U 107           H1'        U 107 -16.608  18.472  -1.011
  847    H3     U 107           H3         U 107 -19.300  19.502  -4.489
  848    H5     U 107           H5         U 107 -21.911  17.564  -1.827
  849    H6     U 107           H6         U 107 -20.012  17.252  -0.310
  Start of MODEL    8
    1    H    MET   1           H1       MET   1 -10.688  19.532   9.094
    2    HA   MET   1           HA       MET   1 -12.618  18.932   7.833
    3    HB2  MET   1           HB2      MET   1 -12.074  20.145   5.778
    4    HB3  MET   1           HB3      MET   1 -11.324  20.925   7.181
    5    HG2  MET   1           HG2      MET   1  -9.169  19.827   6.631
    6    HG3  MET   1           HG3      MET   1  -9.931  19.054   5.234
    7    HE1  MET   1           HE1      MET   1  -7.994  19.904   3.716
    8    HE2  MET   1           HE2      MET   1  -7.482  21.606   3.618
    9    HE3  MET   1           HE3      MET   1  -7.237  20.689   5.125
   10    H    SER   2           H        SER   2 -13.470  17.982   5.835
   11    HA   SER   2           HA       SER   2 -12.713  15.250   5.496
   12    HB2  SER   2           HB2      SER   2 -14.375  17.036   3.679
   13    HB3  SER   2           HB3      SER   2 -14.382  15.260   3.710
   14    HG   SER   2           HG       SER   2 -15.151  15.372   5.848
   15    H    TYR   3           H        TYR   3 -12.256  14.264   3.321
   16    HA   TYR   3           HA       TYR   3  -9.712  15.009   2.391
   17    HB2  TYR   3           HB2      TYR   3 -11.958  13.380   1.146
   18    HB3  TYR   3           HB3      TYR   3 -10.322  13.386   0.524
   19    HD1  TYR   3           HD2      TYR   3  -8.482  12.320   1.768
   20    HD2  TYR   3           HD1      TYR   3 -12.527  12.220   3.214
   21    HE1  TYR   3           HE2      TYR   3  -7.870  10.505   3.344
   22    HE2  TYR   3           HE1      TYR   3 -11.918  10.419   4.810
   23    HH   TYR   3           HH       TYR   3 -10.258   9.051   5.585
   24    H    GLY   4           H        GLY   4 -12.922  15.531   0.931
   25    HA2  GLY   4           HA2      GLY   4 -13.785  17.010  -0.491
   26    HA3  GLY   4           HA3      GLY   4 -12.411  18.101  -0.152
   27    H    ARG   5           H        ARG   5 -10.463  16.150  -1.186
   28    HA   ARG   5           HA       ARG   5 -10.467  14.841  -3.384
   29    HB2  ARG   5           HB2      ARG   5 -10.346  16.013  -5.401
   30    HB3  ARG   5           HB3      ARG   5 -11.929  16.107  -4.655
   31    HG2  ARG   5           HG2      ARG   5 -11.371  18.428  -3.868
   32    HG3  ARG   5           HG3      ARG   5  -9.846  18.334  -4.795
   33    HD2  ARG   5           HD2      ARG   5 -12.622  17.817  -5.860
   34    HD3  ARG   5           HD3      ARG   5 -11.738  19.355  -6.098
   35    HE   ARG   5           HE       ARG   5 -10.107  18.106  -7.477
   36   HH11  ARG   5          HH11      ARG   5 -13.187  16.535  -6.779
   37   HH12  ARG   5          HH12      ARG   5 -13.073  15.410  -8.101
   38   HH21  ARG   5          HH21      ARG   5  -9.961  16.617  -9.223
   39   HH22  ARG   5          HH22      ARG   5 -11.234  15.441  -9.480
   40    HA   PRO   6           HA       PRO   6  -6.723  16.652  -1.322
   41    HB2  PRO   6           HB2      PRO   6  -5.412  14.259  -0.851
   42    HB3  PRO   6           HB3      PRO   6  -6.636  15.003   0.223
   43    HG2  PRO   6           HG2      PRO   6  -7.051  12.862  -1.867
   44    HG3  PRO   6           HG3      PRO   6  -7.653  12.894  -0.171
   45    HD2  PRO   6           HD2      PRO   6  -9.265  13.626  -2.208
   46    HD3  PRO   6           HD3      PRO   6  -9.262  14.582  -0.698
   47    HA   PRO   7           HA       PRO   7  -4.297  16.144  -5.139
   48    HB2  PRO   7           HB2      PRO   7  -3.734  18.725  -5.557
   49    HB3  PRO   7           HB3      PRO   7  -5.453  18.214  -5.559
   50    HG2  PRO   7           HG2      PRO   7  -3.904  19.506  -3.293
   51    HG3  PRO   7           HG3      PRO   7  -5.534  19.915  -3.897
   52    HD2  PRO   7           HD2      PRO   7  -4.925  18.149  -1.755
   53    HD3  PRO   7           HD3      PRO   7  -6.486  18.242  -2.620
   54    HA   PRO   8           HA       PRO   8  -0.438  16.365  -2.509
   55    HB2  PRO   8           HB2      PRO   8   0.344  13.767  -2.816
   56    HB3  PRO   8           HB3      PRO   8  -0.763  14.308  -1.521
   57    HG2  PRO   8           HG2      PRO   8  -1.488  13.066  -4.182
   58    HG3  PRO   8           HG3      PRO   8  -2.112  12.639  -2.550
   59    HD2  PRO   8           HD2      PRO   8  -3.465  14.279  -4.253
   60    HD3  PRO   8           HD3      PRO   8  -3.483  14.534  -2.467
   61    H    ASP   9           H        ASP   9   1.669  14.903  -3.688
   62    HA   ASP   9           HA       ASP   9   2.249  16.454  -6.000
   63    HB2  ASP   9           HB2      ASP   9   3.611  13.989  -4.851
   64    HB3  ASP   9           HB3      ASP   9   4.313  15.088  -6.051
   65    H    VAL  10           H        VAL  10  -0.185  14.851  -6.491
   66    HA   VAL  10           HA       VAL  10   0.263  12.528  -7.988
   67    HB   VAL  10           HB       VAL  10  -1.965  12.803  -8.816
   68   HG11  VAL  10          HG11      VAL  10  -3.202  13.135  -6.757
   69   HG12  VAL  10          HG12      VAL  10  -1.697  12.249  -6.419
   70   HG13  VAL  10          HG13      VAL  10  -1.833  13.986  -6.019
   71   HG21  VAL  10          HG21      VAL  10  -1.871  15.174  -9.530
   72   HG22  VAL  10          HG22      VAL  10  -3.252  14.904  -8.444
   73   HG23  VAL  10          HG23      VAL  10  -1.780  15.684  -7.831
   74    H    GLU  11           H        GLU  11   1.259  15.659  -8.847
   75    HA   GLU  11           HA       GLU  11   0.750  15.605 -11.666
   76    HB2  GLU  11           HB2      GLU  11   2.914  17.051 -10.075
   77    HB3  GLU  11           HB3      GLU  11   2.418  17.424 -11.736
   78    HG2  GLU  11           HG2      GLU  11   0.114  17.885 -10.919
   79    HG3  GLU  11           HG3      GLU  11   0.651  17.587  -9.257
   80    H    GLY  12           H        GLY  12   2.932  13.769  -9.759
   81    HA2  GLY  12           HA2      GLY  12   3.922  12.368 -12.030
   82    HA3  GLY  12           HA3      GLY  12   5.155  13.524 -11.501
   83    H    MET  13           H        MET  13   3.160  12.276  -8.911
   84    HA   MET  13           HA       MET  13   5.420  11.103  -7.638
   85    HB2  MET  13           HB2      MET  13   3.899  10.403  -5.943
   86    HB3  MET  13           HB3      MET  13   3.423  12.035  -6.433
   87    HG2  MET  13           HG2      MET  13   1.562  11.201  -7.687
   88    HG3  MET  13           HG3      MET  13   2.183   9.560  -7.659
   89    HE1  MET  13           HE1      MET  13   1.839  12.137  -4.701
   90    HE2  MET  13           HE2      MET  13   0.294  12.325  -5.579
   91    HE3  MET  13           HE3      MET  13   0.314  11.598  -3.956
   92    H    THR  14           H        THR  14   5.151   8.806  -6.626
   93    HA   THR  14           HA       THR  14   5.318   6.865  -8.741
   94    HB   THR  14           HB       THR  14   5.378   6.758  -5.700
   95   HG21  THR  14          HG21      THR  14   5.783   4.487  -7.677
   96   HG22  THR  14          HG22      THR  14   6.195   4.434  -5.942
   97   HG23  THR  14          HG23      THR  14   4.501   4.603  -6.437
   98    H    SER  15           H        SER  15   2.690   7.940  -6.670
   99    HA   SER  15           HA       SER  15   0.575   7.226  -6.344
  100    HB2  SER  15           HB2      SER  15   0.888   6.622  -9.310
  101    HB3  SER  15           HB3      SER  15  -0.672   6.721  -8.466
  102    HG   SER  15           HG       SER  15   0.058   8.687  -9.525
  103    H    LEU  16           H        LEU  16   2.409   5.152  -5.565
  104    HA   LEU  16           HA       LEU  16   1.463   2.610  -6.579
  105    HB2  LEU  16           HB2      LEU  16   3.567   2.705  -5.550
  106    HB3  LEU  16           HB3      LEU  16   2.956   3.501  -4.107
  107    HG   LEU  16           HG       LEU  16   3.667   1.151  -3.780
  108   HD11  LEU  16          HD11      LEU  16   1.955   2.287  -2.318
  109   HD12  LEU  16          HD12      LEU  16   0.706   1.374  -3.195
  110   HD13  LEU  16          HD13      LEU  16   1.974   0.517  -2.303
  111   HD21  LEU  16          HD21      LEU  16   2.371  -0.696  -4.570
  112   HD22  LEU  16          HD22      LEU  16   1.227   0.389  -5.393
  113   HD23  LEU  16          HD23      LEU  16   2.920   0.267  -5.959
  114    H    LYS  17           H        LYS  17  -0.318   1.396  -6.020
  115    HA   LYS  17           HA       LYS  17  -2.143   2.697  -4.050
  116    HB2  LYS  17           HB2      LYS  17  -3.997   1.963  -5.408
  117    HB3  LYS  17           HB3      LYS  17  -2.899   2.940  -6.401
  118    HG2  LYS  17           HG2      LYS  17  -2.201   1.090  -7.656
  119    HG3  LYS  17           HG3      LYS  17  -2.507  -0.050  -6.333
  120    HD2  LYS  17           HD2      LYS  17  -4.963   0.338  -6.617
  121    HD3  LYS  17           HD3      LYS  17  -4.599   1.227  -8.116
  122    HE2  LYS  17           HE2      LYS  17  -3.689  -0.719  -9.156
  123    HE3  LYS  17           HE3      LYS  17  -3.424  -1.516  -7.595
  124    HZ1  LYS  17           HZ1      LYS  17  -6.062  -1.014  -8.800
  125    HZ2  LYS  17           HZ2      LYS  17  -5.294  -2.469  -8.722
  126    HZ3  LYS  17           HZ3      LYS  17  -5.784  -1.713  -7.345
  127    H    VAL  18           H        VAL  18  -3.742   1.376  -3.060
  128    HA   VAL  18           HA       VAL  18  -2.901  -1.477  -2.738
  129    HB   VAL  18           HB       VAL  18  -3.792   0.375  -0.498
  130   HG11  VAL  18          HG11      VAL  18  -2.952  -2.544  -0.555
  131   HG12  VAL  18          HG12      VAL  18  -3.082  -1.580   0.927
  132   HG13  VAL  18          HG13      VAL  18  -4.526  -1.873  -0.067
  133   HG21  VAL  18          HG21      VAL  18  -1.441   0.831  -1.287
  134   HG22  VAL  18          HG22      VAL  18  -1.539   0.226   0.373
  135   HG23  VAL  18          HG23      VAL  18  -1.042  -0.865  -0.934
  136    H    ASP  19           H        ASP  19  -4.510  -2.937  -2.331
  137    HA   ASP  19           HA       ASP  19  -7.338  -2.131  -2.137
  138    HB2  ASP  19           HB2      ASP  19  -6.235  -3.818  -4.413
  139    HB3  ASP  19           HB3      ASP  19  -7.945  -3.549  -4.089
  140    H    ASN  20           H        ASN  20  -8.644  -4.370  -2.303
  141    HA   ASN  20           HA       ASN  20  -8.941  -6.579  -1.938
  142    HB2  ASN  20           HB2      ASN  20  -6.568  -6.832  -2.718
  143    HB3  ASN  20           HB3      ASN  20  -6.081  -6.877  -1.009
  144   HD21  ASN  20          HD22      ASN  20  -5.384  -8.978  -0.975
  145   HD22  ASN  20          HD21      ASN  20  -6.408 -10.363  -1.320
  146    H    LEU  21           H        LEU  21  -9.589  -4.568  -0.053
  147    HA   LEU  21           HA       LEU  21  -8.937  -5.255   2.635
  148    HB2  LEU  21           HB2      LEU  21 -11.294  -3.889   1.271
  149    HB3  LEU  21           HB3      LEU  21 -11.196  -4.041   3.011
  150    HG   LEU  21           HG       LEU  21 -10.429  -1.844   1.854
  151   HD11  LEU  21          HD11      LEU  21  -8.726  -3.191   3.971
  152   HD12  LEU  21          HD12      LEU  21  -8.887  -1.432   3.688
  153   HD13  LEU  21          HD13      LEU  21 -10.281  -2.372   4.251
  154   HD21  LEU  21          HD21      LEU  21  -8.744  -2.806   0.287
  155   HD22  LEU  21          HD22      LEU  21  -7.997  -1.702   1.461
  156   HD23  LEU  21          HD23      LEU  21  -7.837  -3.450   1.679
  157    H    THR  22           H        THR  22 -10.494  -6.184   4.183
  158    HA   THR  22           HA       THR  22 -12.037  -8.432   3.001
  159    HB   THR  22           HB       THR  22 -10.672  -8.250   5.720
  160   HG21  THR  22          HG21      THR  22 -12.380  -9.931   5.747
  161   HG22  THR  22          HG22      THR  22 -11.902 -10.527   4.130
  162   HG23  THR  22          HG23      THR  22 -10.826 -10.767   5.540
  163    H    TYR  23           H        TYR  23 -13.804  -9.194   4.596
  164    HA   TYR  23           HA       TYR  23 -15.688  -7.129   4.956
  165    HB2  TYR  23           HB2      TYR  23 -17.065  -8.860   5.947
  166    HB3  TYR  23           HB3      TYR  23 -16.207  -9.505   4.543
  167    HD1  TYR  23           HD2      TYR  23 -14.377 -11.149   4.846
  168    HD2  TYR  23           HD1      TYR  23 -16.611  -9.623   8.191
  169    HE1  TYR  23           HE2      TYR  23 -13.481 -12.970   6.269
  170    HE2  TYR  23           HE1      TYR  23 -15.713 -11.441   9.623
  171    HH   TYR  23           HH       TYR  23 -14.360 -13.273   9.736
  172    H    ARG  24           H        ARG  24 -12.992  -7.340   6.750
  173    HA   ARG  24           HA       ARG  24 -14.282  -6.356   9.232
  174    HB2  ARG  24           HB2      ARG  24 -12.747  -7.748  10.566
  175    HB3  ARG  24           HB3      ARG  24 -13.745  -8.748   9.493
  176    HG2  ARG  24           HG2      ARG  24 -11.826  -8.700   7.812
  177    HG3  ARG  24           HG3      ARG  24 -10.828  -7.961   9.075
  178    HD2  ARG  24           HD2      ARG  24 -12.291 -10.624   9.245
  179    HD3  ARG  24           HD3      ARG  24 -10.557 -10.418   8.933
  180    HE   ARG  24           HE       ARG  24 -10.918  -9.073  11.303
  181   HH11  ARG  24          HH11      ARG  24 -11.691 -12.343  10.204
  182   HH12  ARG  24          HH12      ARG  24 -11.537 -13.045  11.798
  183   HH21  ARG  24          HH21      ARG  24 -10.732 -10.013  13.379
  184   HH22  ARG  24          HH22      ARG  24 -10.982 -11.731  13.588
  185    H    THR  25           H        THR  25 -12.747  -5.221   6.804
  186    HA   THR  25           HA       THR  25 -10.621  -3.807   8.360
  187    HB   THR  25           HB       THR  25 -10.442  -4.295   5.384
  188   HG21  THR  25          HG21      THR  25  -8.835  -2.699   6.364
  189   HG22  THR  25          HG22      THR  25  -8.411  -3.880   7.636
  190   HG23  THR  25          HG23      THR  25  -7.993  -4.187   5.938
  191    H    SER  26           H        SER  26 -10.033  -1.652   7.255
  192    HA   SER  26           HA       SER  26 -12.312  -0.277   5.993
  193    HB2  SER  26           HB2      SER  26 -12.521   1.301   7.895
  194    HB3  SER  26           HB3      SER  26 -12.792  -0.356   8.452
  195    HG   SER  26           HG       SER  26 -11.356   0.786   9.809
  196    HA   PRO  27           HA       PRO  27  -8.994   2.232   4.420
  197    HB2  PRO  27           HB2      PRO  27  -9.975   4.778   4.387
  198    HB3  PRO  27           HB3      PRO  27 -10.615   3.500   3.308
  199    HG2  PRO  27           HG2      PRO  27 -11.706   4.402   5.994
  200    HG3  PRO  27           HG3      PRO  27 -12.615   4.221   4.467
  201    HD2  PRO  27           HD2      PRO  27 -12.639   2.268   6.317
  202    HD3  PRO  27           HD3      PRO  27 -12.504   1.843   4.587
  203    H    ASP  28           H        ASP  28 -10.498   3.152   7.497
  204    HA   ASP  28           HA       ASP  28  -8.447   4.972   8.362
  205    HB2  ASP  28           HB2      ASP  28 -10.507   3.264   9.801
  206    HB3  ASP  28           HB3      ASP  28  -9.483   4.457  10.626
  207    H    THR  29           H        THR  29  -8.962   1.425   8.672
  208    HA   THR  29           HA       THR  29  -6.561   1.034  10.259
  209    HB   THR  29           HB       THR  29  -8.154  -0.901   8.511
  210   HG21  THR  29          HG21      THR  29  -5.995  -1.331  10.616
  211   HG22  THR  29          HG22      THR  29  -6.993  -2.627   9.919
  212   HG23  THR  29          HG23      THR  29  -5.880  -1.713   8.879
  213    H    LEU  30           H        LEU  30  -7.412   0.824   6.773
  214    HA   LEU  30           HA       LEU  30  -4.914  -0.130   5.870
  215    HB2  LEU  30           HB2      LEU  30  -7.386   0.849   4.801
  216    HB3  LEU  30           HB3      LEU  30  -6.099   1.734   3.985
  217    HG   LEU  30           HG       LEU  30  -6.884  -0.370   2.849
  218   HD11  LEU  30          HD11      LEU  30  -3.975  -0.248   3.698
  219   HD12  LEU  30          HD12      LEU  30  -4.611  -1.209   2.331
  220   HD13  LEU  30          HD13      LEU  30  -4.709   0.562   2.295
  221   HD21  LEU  30          HD21      LEU  30  -7.118  -1.712   4.991
  222   HD22  LEU  30          HD22      LEU  30  -6.271  -2.530   3.663
  223   HD23  LEU  30          HD23      LEU  30  -5.341  -1.859   5.009
  224    H    ARG  31           H        ARG  31  -5.750   2.984   7.157
  225    HA   ARG  31           HA       ARG  31  -3.509   4.360   5.867
  226    HB2  ARG  31           HB2      ARG  31  -5.545   5.595   6.469
  227    HB3  ARG  31           HB3      ARG  31  -5.366   5.112   8.158
  228    HG2  ARG  31           HG2      ARG  31  -4.592   7.438   7.765
  229    HG3  ARG  31           HG3      ARG  31  -3.303   6.394   8.376
  230    HD2  ARG  31           HD2      ARG  31  -2.405   6.143   6.074
  231    HD3  ARG  31           HD3      ARG  31  -3.703   7.191   5.459
  232    HE   ARG  31           HE       ARG  31  -1.619   8.058   7.431
  233   HH11  ARG  31          HH11      ARG  31  -3.630   8.758   4.597
  234   HH12  ARG  31          HH12      ARG  31  -2.973  10.367   4.413
  235   HH21  ARG  31          HH21      ARG  31  -0.809  10.095   7.165
  236   HH22  ARG  31          HH22      ARG  31  -1.366  11.136   5.871
  237    H    ARG  32           H        ARG  32  -4.317   3.355   9.268
  238    HA   ARG  32           HA       ARG  32  -1.669   4.054  10.161
  239    HB2  ARG  32           HB2      ARG  32  -2.364   3.100  12.300
  240    HB3  ARG  32           HB3      ARG  32  -3.661   4.080  11.598
  241    HG2  ARG  32           HG2      ARG  32  -4.872   2.249  12.298
  242    HG3  ARG  32           HG3      ARG  32  -4.514   1.774  10.646
  243    HD2  ARG  32           HD2      ARG  32  -4.095  -0.124  12.032
  244    HD3  ARG  32           HD3      ARG  32  -2.500   0.482  11.582
  245    HE   ARG  32           HE       ARG  32  -3.861   0.835  14.228
  246   HH11  ARG  32          HH11      ARG  32  -0.857   0.923  12.323
  247   HH12  ARG  32          HH12      ARG  32   0.150   1.006  13.747
  248   HH21  ARG  32          HH21      ARG  32  -2.510   0.970  16.028
  249   HH22  ARG  32          HH22      ARG  32  -0.775   1.063  15.823
  250    H    VAL  33           H        VAL  33  -2.684   1.462   8.292
  251    HA   VAL  33           HA       VAL  33  -0.608  -0.389   9.335
  252    HB   VAL  33           HB       VAL  33  -2.869  -0.653   7.316
  253   HG11  VAL  33          HG11      VAL  33  -2.269  -3.061   7.230
  254   HG12  VAL  33          HG12      VAL  33  -1.027  -2.008   6.523
  255   HG13  VAL  33          HG13      VAL  33  -0.786  -2.710   8.148
  256   HG21  VAL  33          HG21      VAL  33  -3.482  -0.652   9.724
  257   HG22  VAL  33          HG22      VAL  33  -3.754  -2.245   8.971
  258   HG23  VAL  33          HG23      VAL  33  -2.333  -1.980  10.015
  259    H    PHE  34           H        PHE  34  -1.376   1.669   6.518
  260    HA   PHE  34           HA       PHE  34   1.156   0.760   5.240
  261    HB2  PHE  34           HB2      PHE  34  -1.404   1.970   4.273
  262    HB3  PHE  34           HB3      PHE  34   0.038   2.266   3.349
  263    HD1  PHE  34           HD2      PHE  34  -2.175  -0.392   4.667
  264    HD2  PHE  34           HD1      PHE  34   1.104   0.509   2.040
  265    HE1  PHE  34           HE2      PHE  34  -2.425  -2.607   3.606
  266    HE2  PHE  34           HE1      PHE  34   0.896  -1.749   1.014
  267    HZ   PHE  34           HZ       PHE  34  -0.880  -3.290   1.770
  268    H    GLU  35           H        GLU  35  -0.029   3.331   7.195
  269    HA   GLU  35           HA       GLU  35   1.662   5.409   6.100
  270    HB2  GLU  35           HB2      GLU  35  -0.303   5.931   7.418
  271    HB3  GLU  35           HB3      GLU  35   0.324   5.012   8.803
  272    HG2  GLU  35           HG2      GLU  35   2.091   6.594   9.153
  273    HG3  GLU  35           HG3      GLU  35   1.723   7.434   7.624
  274    H    LYS  36           H        LYS  36   2.206   2.656   8.245
  275    HA   LYS  36           HA       LYS  36   4.464   3.773   9.629
  276    HB2  LYS  36           HB2      LYS  36   4.843   1.538  10.414
  277    HB3  LYS  36           HB3      LYS  36   3.097   1.871  10.438
  278    HG2  LYS  36           HG2      LYS  36   2.920   0.626   8.241
  279    HG3  LYS  36           HG3      LYS  36   4.639   0.192   8.412
  280    HD2  LYS  36           HD2      LYS  36   4.112  -0.829  10.644
  281    HD3  LYS  36           HD3      LYS  36   2.392  -0.461  10.369
  282    HE2  LYS  36           HE2      LYS  36   2.739  -2.756   9.754
  283    HE3  LYS  36           HE3      LYS  36   2.511  -1.836   8.264
  284    HZ1  LYS  36           HZ1      LYS  36   5.119  -2.650   9.387
  285    HZ2  LYS  36           HZ2      LYS  36   4.368  -3.369   8.118
  286    HZ3  LYS  36           HZ3      LYS  36   4.900  -1.820   7.983
  287    H    TYR  37           H        TYR  37   4.098   2.303   6.469
  288    HA   TYR  37           HA       TYR  37   6.895   1.669   6.094
  289    HB2  TYR  37           HB2      TYR  37   4.597   2.095   4.146
  290    HB3  TYR  37           HB3      TYR  37   6.210   1.555   3.676
  291    HD1  TYR  37           HD1      TYR  37   3.147   0.638   5.556
  292    HD2  TYR  37           HD2      TYR  37   6.967  -0.686   4.086
  293    HE1  TYR  37           HE1      TYR  37   2.542  -1.689   6.110
  294    HE2  TYR  37           HE2      TYR  37   6.372  -3.031   4.648
  295    HH   TYR  37           HH       TYR  37   3.229  -3.892   6.119
  296    H    GLY  38           H        GLY  38   5.059   4.645   5.968
  297    HA2  GLY  38           HA2      GLY  38   7.281   6.292   5.981
  298    HA3  GLY  38           HA3      GLY  38   6.951   6.048   4.261
  299    H    ARG  39           H        ARG  39   4.868   6.718   3.390
  300    HA   ARG  39           HA       ARG  39   3.009   8.204   5.063
  301    HB2  ARG  39           HB2      ARG  39   3.270  10.299   3.712
  302    HB3  ARG  39           HB3      ARG  39   4.612   9.964   4.820
  303    HG2  ARG  39           HG2      ARG  39   6.003   9.164   2.974
  304    HG3  ARG  39           HG3      ARG  39   4.640   9.297   1.845
  305    HD2  ARG  39           HD2      ARG  39   6.029  11.264   1.564
  306    HD3  ARG  39           HD3      ARG  39   4.522  11.755   2.347
  307    HE   ARG  39           HE       ARG  39   5.692  12.277   4.296
  308   HH11  ARG  39          HH11      ARG  39   7.818  10.570   2.030
  309   HH12  ARG  39          HH12      ARG  39   9.260  10.920   2.947
  310   HH21  ARG  39          HH21      ARG  39   7.603  12.700   5.476
  311   HH22  ARG  39          HH22      ARG  39   9.141  12.115   4.891
  312    H    VAL  40           H        VAL  40   1.243   9.129   3.779
  313    HA   VAL  40           HA       VAL  40   0.685   7.559   1.311
  314    HB   VAL  40           HB       VAL  40  -1.053   7.821   3.805
  315   HG11  VAL  40          HG11      VAL  40  -2.446   7.919   1.800
  316   HG12  VAL  40          HG12      VAL  40  -1.647   6.463   1.146
  317   HG13  VAL  40          HG13      VAL  40  -2.642   6.358   2.609
  318   HG21  VAL  40          HG21      VAL  40   0.709   6.113   4.045
  319   HG22  VAL  40          HG22      VAL  40  -0.884   5.355   3.879
  320   HG23  VAL  40          HG23      VAL  40   0.229   5.387   2.490
  321    H    GLY  41           H        GLY  41  -0.485   8.714  -0.195
  322    HA2  GLY  41           HA2      GLY  41  -0.879  11.589   0.414
  323    HA3  GLY  41           HA3      GLY  41  -0.835  10.828  -1.195
  324    H    ASP  42           H        ASP  42  -2.671   8.616  -0.208
  325    HA   ASP  42           HA       ASP  42  -5.105   9.909   0.669
  326    HB2  ASP  42           HB2      ASP  42  -5.049  10.536  -1.755
  327    HB3  ASP  42           HB3      ASP  42  -4.946   8.819  -2.174
  328    H    VAL  43           H        VAL  43  -6.771   8.411   1.074
  329    HA   VAL  43           HA       VAL  43  -6.426   5.550   0.606
  330    HB   VAL  43           HB       VAL  43  -5.100   5.695   2.572
  331   HG11  VAL  43          HG11      VAL  43  -5.787   6.732   4.652
  332   HG12  VAL  43          HG12      VAL  43  -5.751   7.943   3.360
  333   HG13  VAL  43          HG13      VAL  43  -7.309   7.294   3.925
  334   HG21  VAL  43          HG21      VAL  43  -6.782   3.864   2.525
  335   HG22  VAL  43          HG22      VAL  43  -6.339   4.362   4.163
  336   HG23  VAL  43          HG23      VAL  43  -7.893   4.890   3.460
  337    H    TYR  44           H        TYR  44  -8.421   5.027  -0.166
  338    HA   TYR  44           HA       TYR  44 -10.777   6.493   0.871
  339    HB2  TYR  44           HB2      TYR  44  -9.572   7.911  -0.727
  340    HB3  TYR  44           HB3      TYR  44  -9.537   6.605  -1.891
  341    HD1  TYR  44           HD1      TYR  44 -12.554   7.656   0.083
  342    HD2  TYR  44           HD2      TYR  44 -10.473   7.654  -3.680
  343    HE1  TYR  44           HE1      TYR  44 -14.597   8.504  -1.039
  344    HE2  TYR  44           HE2      TYR  44 -12.476   8.581  -4.809
  345    HH   TYR  44           HH       TYR  44 -15.526   9.225  -3.001
  346    H    ILE  45           H        ILE  45 -12.791   5.753  -0.007
  347    HA   ILE  45           HA       ILE  45 -12.738   2.942  -1.002
  348    HB   ILE  45           HB       ILE  45 -14.804   4.163   0.857
  349   HG12  ILE  45          HG12      ILE  45 -12.543   3.919   1.974
  350   HG13  ILE  45          HG13      ILE  45 -13.893   3.059   2.713
  351   HG21  ILE  45          HG21      ILE  45 -14.273   1.309  -0.092
  352   HG22  ILE  45          HG22      ILE  45 -15.460   1.770   1.143
  353   HG23  ILE  45          HG23      ILE  45 -15.645   2.342  -0.529
  354   HD11  ILE  45          HD11      ILE  45 -11.794   1.691   2.592
  355   HD12  ILE  45          HD12      ILE  45 -13.172   0.937   1.786
  356   HD13  ILE  45          HD13      ILE  45 -11.923   1.757   0.812
  357    HA   PRO  46           HA       PRO  46 -15.043   5.434  -4.063
  358    HB2  PRO  46           HB2      PRO  46 -14.336   4.043  -6.288
  359    HB3  PRO  46           HB3      PRO  46 -13.194   5.147  -5.453
  360    HG2  PRO  46           HG2      PRO  46 -13.432   2.146  -5.138
  361    HG3  PRO  46           HG3      PRO  46 -11.957   3.122  -5.470
  362    HD2  PRO  46           HD2      PRO  46 -12.651   2.332  -2.933
  363    HD3  PRO  46           HD3      PRO  46 -11.880   3.917  -3.250
  364    H    ARG  47           H        ARG  47 -16.172   3.240  -2.315
  365    HA   ARG  47           HA       ARG  47 -17.826   1.577  -3.982
  366    HB2  ARG  47           HB2      ARG  47 -19.150   1.226  -1.988
  367    HB3  ARG  47           HB3      ARG  47 -17.431   1.171  -1.561
  368    HG2  ARG  47           HG2      ARG  47 -17.586   3.530  -0.749
  369    HG3  ARG  47           HG3      ARG  47 -19.311   3.548  -1.168
  370    HD2  ARG  47           HD2      ARG  47 -19.708   1.651   0.378
  371    HD3  ARG  47           HD3      ARG  47 -17.983   1.651   0.810
  372    HE   ARG  47           HE       ARG  47 -18.934   4.262   1.251
  373   HH11  ARG  47          HH11      ARG  47 -19.542   1.009   2.508
  374   HH12  ARG  47          HH12      ARG  47 -20.002   1.579   4.092
  375   HH21  ARG  47          HH21      ARG  47 -19.542   4.978   3.337
  376   HH22  ARG  47          HH22      ARG  47 -19.995   3.817   4.561
  377    H    ASP  48           H        ASP  48 -20.245   1.869  -4.200
  378    HA   ASP  48           HA       ASP  48 -20.882   4.356  -5.423
  379    HB2  ASP  48           HB2      ASP  48 -22.580   2.102  -4.347
  380    HB3  ASP  48           HB3      ASP  48 -23.260   3.514  -5.197
  381    H    ARG  49           H        ARG  49 -21.006   6.248  -4.520
  382    HA   ARG  49           HA       ARG  49 -20.937   6.508  -1.681
  383    HB2  ARG  49           HB2      ARG  49 -20.254   8.688  -2.109
  384    HB3  ARG  49           HB3      ARG  49 -19.704   7.759  -3.531
  385    HG2  ARG  49           HG2      ARG  49 -21.764   8.542  -4.733
  386    HG3  ARG  49           HG3      ARG  49 -22.050   9.666  -3.376
  387    HD2  ARG  49           HD2      ARG  49 -19.767   9.536  -5.359
  388    HD3  ARG  49           HD3      ARG  49 -20.839  10.903  -5.025
  389    HE   ARG  49           HE       ARG  49 -18.587   9.939  -3.305
  390   HH11  ARG  49          HH11      ARG  49 -20.998  12.455  -4.014
  391   HH12  ARG  49          HH12      ARG  49 -20.116  13.671  -3.117
  392   HH21  ARG  49          HH21      ARG  49 -17.543  11.561  -2.087
  393   HH22  ARG  49          HH22      ARG  49 -18.239  13.165  -2.019
  394    H    TYR  50           H        TYR  50 -23.591   5.797  -3.281
  395    HA   TYR  50           HA       TYR  50 -25.354   7.263  -1.403
  396    HB2  TYR  50           HB2      TYR  50 -26.931   7.634  -3.418
  397    HB3  TYR  50           HB3      TYR  50 -25.511   8.685  -3.264
  398    HD1  TYR  50           HD1      TYR  50 -26.923   5.805  -5.129
  399    HD2  TYR  50           HD2      TYR  50 -23.741   8.657  -4.809
  400    HE1  TYR  50           HE1      TYR  50 -25.974   4.944  -7.233
  401    HE2  TYR  50           HE2      TYR  50 -22.717   7.792  -6.888
  402    HH   TYR  50           HH       TYR  50 -24.260   5.143  -8.790
  403    H    THR  51           H        THR  51 -24.399   4.332  -2.834
  404    HA   THR  51           HA       THR  51 -26.944   3.125  -1.862
  405    HB   THR  51           HB       THR  51 -26.798   1.357  -3.391
  406   HG21  THR  51          HG21      THR  51 -26.917   2.416  -5.565
  407   HG22  THR  51          HG22      THR  51 -27.584   3.555  -4.361
  408   HG23  THR  51          HG23      THR  51 -25.925   3.780  -4.987
  409    H    LYS  52           H        LYS  52 -23.679   3.586  -1.421
  410    HA   LYS  52           HA       LYS  52 -21.977   2.680  -0.335
  411    HB2  LYS  52           HB2      LYS  52 -22.314   2.009   1.926
  412    HB3  LYS  52           HB3      LYS  52 -23.293   3.419   1.548
  413    HG2  LYS  52           HG2      LYS  52 -24.605   0.723   1.308
  414    HG3  LYS  52           HG3      LYS  52 -24.206   1.301   2.927
  415    HD2  LYS  52           HD2      LYS  52 -25.465   3.355   2.610
  416    HD3  LYS  52           HD3      LYS  52 -25.847   2.915   0.933
  417    HE2  LYS  52           HE2      LYS  52 -26.997   0.868   1.750
  418    HE3  LYS  52           HE3      LYS  52 -26.645   1.335   3.416
  419    HZ1  LYS  52           HZ1      LYS  52 -27.937   3.343   3.048
  420    HZ2  LYS  52           HZ2      LYS  52 -28.278   2.880   1.508
  421    HZ3  LYS  52           HZ3      LYS  52 -28.844   2.007   2.783
  422    H    GLU  53           H        GLU  53 -23.380   0.867  -2.327
  423    HA   GLU  53           HA       GLU  53 -22.834  -1.820  -1.506
  424    HB2  GLU  53           HB2      GLU  53 -23.086  -0.445  -4.210
  425    HB3  GLU  53           HB3      GLU  53 -22.737  -2.183  -4.031
  426    HG2  GLU  53           HG2      GLU  53 -24.730  -2.437  -2.599
  427    HG3  GLU  53           HG3      GLU  53 -25.135  -0.732  -2.856
  428    H    SER  54           H        SER  54 -20.975  -2.227  -0.643
  429    HA   SER  54           HA       SER  54 -18.483  -1.055  -1.119
  430    HB2  SER  54           HB2      SER  54 -19.136  -2.379   0.849
  431    HB3  SER  54           HB3      SER  54 -19.186  -3.846  -0.146
  432    HG   SER  54           HG       SER  54 -17.178  -3.581   0.965
  433    H    ARG  55           H        ARG  55 -16.509  -2.227  -1.868
  434    HA   ARG  55           HA       ARG  55 -16.963  -3.818  -4.351
  435    HB2  ARG  55           HB2      ARG  55 -15.113  -1.420  -4.014
  436    HB3  ARG  55           HB3      ARG  55 -15.215  -2.452  -5.448
  437    HG2  ARG  55           HG2      ARG  55 -17.529  -0.790  -4.353
  438    HG3  ARG  55           HG3      ARG  55 -16.467  -0.310  -5.684
  439    HD2  ARG  55           HD2      ARG  55 -17.157  -2.289  -6.979
  440    HD3  ARG  55           HD3      ARG  55 -18.220  -2.800  -5.651
  441    HE   ARG  55           HE       ARG  55 -19.093  -0.262  -6.170
  442   HH11  ARG  55          HH11      ARG  55 -18.584  -3.115  -8.197
  443   HH12  ARG  55          HH12      ARG  55 -19.830  -2.663  -9.339
  444   HH21  ARG  55          HH21      ARG  55 -20.724   0.278  -7.646
  445   HH22  ARG  55          HH22      ARG  55 -21.043  -0.744  -9.029
  446    H    GLY  56           H        GLY  56 -15.518  -3.642  -1.324
  447    HA2  GLY  56           HA2      GLY  56 -14.260  -5.316  -0.357
  448    HA3  GLY  56           HA3      GLY  56 -13.981  -6.037  -1.957
  449    H    PHE  57           H        PHE  57 -13.196  -2.604  -1.678
  450    HA   PHE  57           HA       PHE  57 -10.438  -3.134  -0.853
  451    HB2  PHE  57           HB2      PHE  57  -9.449  -2.324  -2.916
  452    HB3  PHE  57           HB3      PHE  57 -10.338  -3.828  -3.161
  453    HD1  PHE  57           HD2      PHE  57 -10.363  -0.170  -3.789
  454    HD2  PHE  57           HD1      PHE  57 -12.216  -3.953  -4.649
  455    HE1  PHE  57           HE2      PHE  57 -11.539   0.846  -5.728
  456    HE2  PHE  57           HE1      PHE  57 -13.357  -2.948  -6.607
  457    HZ   PHE  57           HZ       PHE  57 -13.035  -0.555  -7.138
  458    H    ALA  58           H        ALA  58  -9.104  -1.121  -1.127
  459    HA   ALA  58           HA       ALA  58 -10.626   1.381  -0.780
  460    HB1  ALA  58           HB1      ALA  58  -8.592   0.345   1.250
  461    HB2  ALA  58           HB2      ALA  58  -9.490   1.869   1.339
  462    HB3  ALA  58           HB3      ALA  58 -10.347   0.318   1.508
  463    H    PHE  59           H        PHE  59  -9.724   2.166  -2.671
  464    HA   PHE  59           HA       PHE  59  -6.966   1.784  -3.434
  465    HB2  PHE  59           HB2      PHE  59  -8.657   2.289  -5.099
  466    HB3  PHE  59           HB3      PHE  59  -9.102   3.776  -4.269
  467    HD1  PHE  59           HD2      PHE  59  -7.663   5.747  -4.300
  468    HD2  PHE  59           HD1      PHE  59  -6.710   2.269  -6.666
  469    HE1  PHE  59           HE2      PHE  59  -6.056   7.074  -5.618
  470    HE2  PHE  59           HE1      PHE  59  -5.042   3.575  -7.903
  471    HZ   PHE  59           HZ       PHE  59  -4.674   5.964  -7.383
  472    H    VAL  60           H        VAL  60  -5.381   2.375  -2.180
  473    HA   VAL  60           HA       VAL  60  -5.437   5.181  -1.144
  474    HB   VAL  60           HB       VAL  60  -4.005   4.609   0.574
  475   HG11  VAL  60          HG11      VAL  60  -5.237   1.878   0.131
  476   HG12  VAL  60          HG12      VAL  60  -4.842   2.681   1.667
  477   HG13  VAL  60          HG13      VAL  60  -6.185   3.285   0.657
  478   HG21  VAL  60          HG21      VAL  60  -2.588   2.535   0.592
  479   HG22  VAL  60          HG22      VAL  60  -3.071   2.277  -1.114
  480   HG23  VAL  60          HG23      VAL  60  -2.150   3.722  -0.644
  481    H    ARG  61           H        ARG  61  -3.170   6.261  -1.311
  482    HA   ARG  61           HA       ARG  61  -1.696   5.307  -3.699
  483    HB2  ARG  61           HB2      ARG  61  -2.002   7.186  -4.964
  484    HB3  ARG  61           HB3      ARG  61  -3.581   7.082  -4.192
  485    HG2  ARG  61           HG2      ARG  61  -2.779   8.696  -2.439
  486    HG3  ARG  61           HG3      ARG  61  -1.253   8.864  -3.348
  487    HD2  ARG  61           HD2      ARG  61  -4.040   9.542  -4.346
  488    HD3  ARG  61           HD3      ARG  61  -2.771  10.693  -3.903
  489    HE   ARG  61           HE       ARG  61  -1.403   9.694  -5.779
  490   HH11  ARG  61          HH11      ARG  61  -4.941   9.583  -5.830
  491   HH12  ARG  61          HH12      ARG  61  -5.019   9.363  -7.561
  492   HH21  ARG  61          HH21      ARG  61  -1.548   9.397  -8.043
  493   HH22  ARG  61          HH22      ARG  61  -3.124   9.277  -8.799
  494    H    PHE  62           H        PHE  62   0.510   5.871  -3.701
  495    HA   PHE  62           HA       PHE  62   1.551   7.270  -1.257
  496    HB2  PHE  62           HB2      PHE  62   2.384   4.785  -2.760
  497    HB3  PHE  62           HB3      PHE  62   3.587   5.750  -1.920
  498    HD1  PHE  62           HD2      PHE  62   0.281   4.085  -1.229
  499    HD2  PHE  62           HD1      PHE  62   4.156   5.250   0.234
  500    HE1  PHE  62           HE2      PHE  62  -0.132   2.833   0.887
  501    HE2  PHE  62           HE1      PHE  62   3.785   3.922   2.293
  502    HZ   PHE  62           HZ       PHE  62   1.686   2.674   2.595
  503    H    HIS  63           H        HIS  63   3.293   8.565  -1.496
  504    HA   HIS  63           HA       HIS  63   3.749   9.508  -4.254
  505    HB2  HIS  63           HB2      HIS  63   5.022  11.229  -2.403
  506    HB3  HIS  63           HB3      HIS  63   3.583  11.529  -3.349
  507    HD2  HIS  63           HD2      HIS  63   3.914   9.372  -0.020
  508    HE1  HIS  63           HE1      HIS  63   1.054  12.449   0.597
  509    HE2  HIS  63           HE2      HIS  63   2.213  10.433   1.629
  510    H    ASP  64           H        ASP  64   5.481   8.167  -1.470
  511    HA   ASP  64           HA       ASP  64   8.124   8.689  -2.631
  512    HB2  ASP  64           HB2      ASP  64   6.966   7.363  -0.189
  513    HB3  ASP  64           HB3      ASP  64   8.649   7.028  -0.638
  514    H    LYS  65           H        LYS  65   9.126   7.386  -4.076
  515    HA   LYS  65           HA       LYS  65   7.959   4.940  -4.989
  516    HB2  LYS  65           HB2      LYS  65   9.371   6.174  -6.479
  517    HB3  LYS  65           HB3      LYS  65  10.667   6.268  -5.296
  518    HG2  LYS  65           HG2      LYS  65  11.166   4.666  -7.109
  519    HG3  LYS  65           HG3      LYS  65  11.162   3.904  -5.517
  520    HD2  LYS  65           HD2      LYS  65  10.070   2.485  -7.203
  521    HD3  LYS  65           HD3      LYS  65   8.932   2.953  -5.941
  522    HE2  LYS  65           HE2      LYS  65   7.839   3.109  -8.081
  523    HE3  LYS  65           HE3      LYS  65   8.018   4.727  -7.397
  524    HZ1  LYS  65           HZ1      LYS  65   9.925   5.054  -8.827
  525    HZ2  LYS  65           HZ2      LYS  65   9.761   3.546  -9.461
  526    HZ3  LYS  65           HZ3      LYS  65   8.600   4.682  -9.721
  527    H    ARG  66           H        ARG  66  10.816   5.576  -2.843
  528    HA   ARG  66           HA       ARG  66  11.464   2.834  -2.553
  529    HB2  ARG  66           HB2      ARG  66  12.867   3.463  -0.741
  530    HB3  ARG  66           HB3      ARG  66  13.024   4.642  -2.041
  531    HG2  ARG  66           HG2      ARG  66  11.316   5.027   0.451
  532    HG3  ARG  66           HG3      ARG  66  12.986   5.579   0.293
  533    HD2  ARG  66           HD2      ARG  66  10.625   6.550  -1.367
  534    HD3  ARG  66           HD3      ARG  66  11.466   7.428  -0.085
  535    HE   ARG  66           HE       ARG  66  13.259   6.565  -2.194
  536   HH11  ARG  66          HH11      ARG  66  10.961   9.094  -1.243
  537   HH12  ARG  66          HH12      ARG  66  11.644  10.274  -2.328
  538   HH21  ARG  66          HH21      ARG  66  14.155   8.158  -3.566
  539   HH22  ARG  66          HH22      ARG  66  13.454   9.760  -3.606
  540    H    ASP  67           H        ASP  67   9.073   4.784  -0.781
  541    HA   ASP  67           HA       ASP  67   8.751   2.669   1.236
  542    HB2  ASP  67           HB2      ASP  67   7.163   5.209   0.692
  543    HB3  ASP  67           HB3      ASP  67   6.971   4.158   2.103
  544    H    ALA  68           H        ALA  68   7.440   3.540  -1.876
  545    HA   ALA  68           HA       ALA  68   4.909   2.140  -1.603
  546    HB1  ALA  68           HB1      ALA  68   6.559   3.384  -3.827
  547    HB2  ALA  68           HB2      ALA  68   5.097   2.481  -4.190
  548    HB3  ALA  68           HB3      ALA  68   4.997   3.936  -3.160
  549    H    GLU  69           H        GLU  69   8.107   1.489  -3.184
  550    HA   GLU  69           HA       GLU  69   7.187  -1.128  -4.050
  551    HB2  GLU  69           HB2      GLU  69   9.449  -1.462  -4.859
  552    HB3  GLU  69           HB3      GLU  69   8.849   0.120  -5.374
  553    HG2  GLU  69           HG2      GLU  69  10.173   1.254  -3.703
  554    HG3  GLU  69           HG3      GLU  69  10.550  -0.255  -2.882
  555    H    ASP  70           H        ASP  70   8.588   0.124  -1.076
  556    HA   ASP  70           HA       ASP  70   9.512  -2.515  -0.225
  557    HB2  ASP  70           HB2      ASP  70  10.459  -0.403   0.667
  558    HB3  ASP  70           HB3      ASP  70   8.883  -0.004   1.375
  559    H    ALA  71           H        ALA  71   6.537  -0.526   0.175
  560    HA   ALA  71           HA       ALA  71   5.334  -2.231   2.112
  561    HB1  ALA  71           HB1      ALA  71   4.596   0.079   1.662
  562    HB2  ALA  71           HB2      ALA  71   4.056  -0.396   0.037
  563    HB3  ALA  71           HB3      ALA  71   3.246  -1.066   1.466
  564    H    MET  72           H        MET  72   5.420  -2.386  -1.466
  565    HA   MET  72           HA       MET  72   3.425  -4.498  -1.549
  566    HB2  MET  72           HB2      MET  72   3.845  -4.586  -3.864
  567    HB3  MET  72           HB3      MET  72   4.089  -2.881  -3.407
  568    HG2  MET  72           HG2      MET  72   6.507  -3.227  -3.380
  569    HG3  MET  72           HG3      MET  72   6.290  -4.924  -3.841
  570    HE1  MET  72           HE1      MET  72   3.972  -2.117  -5.402
  571    HE2  MET  72           HE2      MET  72   5.418  -1.312  -4.772
  572    HE3  MET  72           HE3      MET  72   5.125  -1.374  -6.539
  573    H    ASP  73           H        ASP  73   6.944  -4.280  -1.585
  574    HA   ASP  73           HA       ASP  73   7.396  -7.127  -1.828
  575    HB2  ASP  73           HB2      ASP  73   8.942  -5.334  -2.630
  576    HB3  ASP  73           HB3      ASP  73   9.292  -4.922  -0.939
  577    H    ALA  74           H        ALA  74   6.070  -5.485   0.771
  578    HA   ALA  74           HA       ALA  74   7.436  -7.319   2.681
  579    HB1  ALA  74           HB1      ALA  74   6.585  -4.452   3.116
  580    HB2  ALA  74           HB2      ALA  74   7.348  -5.499   4.338
  581    HB3  ALA  74           HB3      ALA  74   8.271  -5.002   2.897
  582    H    MET  75           H        MET  75   4.398  -6.295   1.361
  583    HA   MET  75           HA       MET  75   3.133  -7.800   3.570
  584    HB2  MET  75           HB2      MET  75   3.251  -5.172   3.875
  585    HB3  MET  75           HB3      MET  75   1.827  -5.225   2.796
  586    HG2  MET  75           HG2      MET  75   0.658  -6.662   4.298
  587    HG3  MET  75           HG3      MET  75   2.127  -6.997   5.226
  588    HE1  MET  75           HE1      MET  75   0.362  -2.721   5.297
  589    HE2  MET  75           HE2      MET  75   1.401  -3.389   4.026
  590    HE3  MET  75           HE3      MET  75  -0.276  -3.970   4.198
  591    H    ASP  76           H        ASP  76   2.983  -6.848   0.168
  592    HA   ASP  76           HA       ASP  76   0.229  -7.496  -0.184
  593    HB2  ASP  76           HB2      ASP  76   1.000  -6.514  -2.092
  594    HB3  ASP  76           HB3      ASP  76   2.620  -7.184  -1.940
  595    H    GLY  77           H        GLY  77  -0.868  -9.307  -0.405
  596    HA2  GLY  77           HA2      GLY  77  -1.375 -11.535  -0.654
  597    HA3  GLY  77           HA3      GLY  77   0.284 -11.819  -1.195
  598    H    ALA  78           H        ALA  78   0.245 -10.305   1.896
  599    HA   ALA  78           HA       ALA  78   1.215 -12.782   3.087
  600    HB1  ALA  78           HB1      ALA  78   0.859  -9.989   4.267
  601    HB2  ALA  78           HB2      ALA  78   1.801 -11.309   4.994
  602    HB3  ALA  78           HB3      ALA  78   2.333 -10.574   3.461
  603    H    VAL  79           H        VAL  79  -1.573 -12.804   2.346
  604    HA   VAL  79           HA       VAL  79  -3.321 -12.176   4.427
  605    HB   VAL  79           HB       VAL  79  -4.893 -13.153   3.012
  606   HG11  VAL  79          HG11      VAL  79  -2.695 -12.133   1.161
  607   HG12  VAL  79          HG12      VAL  79  -4.451 -12.057   0.904
  608   HG13  VAL  79          HG13      VAL  79  -3.729 -11.101   2.194
  609   HG21  VAL  79          HG21      VAL  79  -3.937 -15.358   2.599
  610   HG22  VAL  79          HG22      VAL  79  -4.400 -14.580   1.080
  611   HG23  VAL  79          HG23      VAL  79  -2.684 -14.641   1.549
  612    H    LEU  80           H        LEU  80  -4.989 -13.957   5.143
  613    HA   LEU  80           HA       LEU  80  -3.586 -16.439   5.896
  614    HB2  LEU  80           HB2      LEU  80  -3.642 -16.196   8.175
  615    HB3  LEU  80           HB3      LEU  80  -3.180 -14.576   7.651
  616    HG   LEU  80           HG       LEU  80  -5.952 -15.494   8.554
  617   HD11  LEU  80          HD11      LEU  80  -3.920 -13.583   9.776
  618   HD12  LEU  80          HD12      LEU  80  -5.520 -13.969  10.446
  619   HD13  LEU  80          HD13      LEU  80  -4.274 -15.229  10.345
  620   HD21  LEU  80          HD21      LEU  80  -5.006 -12.750   7.669
  621   HD22  LEU  80          HD22      LEU  80  -6.213 -13.763   6.828
  622   HD23  LEU  80          HD23      LEU  80  -6.572 -13.099   8.432
  623    H    ASP  81           H        ASP  81  -6.403 -15.132   4.713
  624    HA   ASP  81           HA       ASP  81  -7.876 -17.548   5.562
  625    HB2  ASP  81           HB2      ASP  81  -8.429 -15.673   7.136
  626    HB3  ASP  81           HB3      ASP  81  -9.020 -14.729   5.764
  627    H    GLY  82           H        GLY  82  -6.713 -15.817   3.097
  628    HA2  GLY  82           HA2      GLY  82  -7.447 -16.859   0.896
  629    HA3  GLY  82           HA3      GLY  82  -9.058 -16.208   1.302
  630    H    ARG  83           H        ARG  83  -7.827 -13.787   2.631
  631    HA   ARG  83           HA       ARG  83  -6.255 -12.477   0.561
  632    HB2  ARG  83           HB2      ARG  83  -7.762 -10.803  -0.018
  633    HB3  ARG  83           HB3      ARG  83  -8.718 -12.293  -0.150
  634    HG2  ARG  83           HG2      ARG  83  -9.764 -11.859   2.012
  635    HG3  ARG  83           HG3      ARG  83  -8.635 -10.517   2.333
  636    HD2  ARG  83           HD2      ARG  83 -10.687  -9.547   1.640
  637    HD3  ARG  83           HD3      ARG  83  -9.430  -9.305   0.406
  638    HE   ARG  83           HE       ARG  83 -10.952 -11.677  -0.176
  639   HH11  ARG  83          HH11      ARG  83 -11.238  -8.159  -0.265
  640   HH12  ARG  83          HH12      ARG  83 -12.314  -8.166  -1.645
  641   HH21  ARG  83          HH21      ARG  83 -12.387 -11.663  -1.939
  642   HH22  ARG  83          HH22      ARG  83 -12.991 -10.146  -2.560
  643    H    GLU  84           H        GLU  84  -5.442 -10.449   1.337
  644    HA   GLU  84           HA       GLU  84  -6.528  -9.271   3.685
  645    HB2  GLU  84           HB2      GLU  84  -3.671 -10.258   3.964
  646    HB3  GLU  84           HB3      GLU  84  -4.345  -8.898   4.839
  647    HG2  GLU  84           HG2      GLU  84  -6.229 -10.394   5.630
  648    HG3  GLU  84           HG3      GLU  84  -5.201 -11.757   5.140
  649    H    LEU  85           H        LEU  85  -3.827  -9.365   1.300
  650    HA   LEU  85           HA       LEU  85  -4.120  -6.432   0.865
  651    HB2  LEU  85           HB2      LEU  85  -1.516  -7.986   1.284
  652    HB3  LEU  85           HB3      LEU  85  -1.608  -6.379   0.583
  653    HG   LEU  85           HG       LEU  85  -0.840  -6.061   2.707
  654   HD11  LEU  85          HD11      LEU  85  -2.651  -4.501   2.061
  655   HD12  LEU  85          HD12      LEU  85  -3.833  -5.535   2.892
  656   HD13  LEU  85          HD13      LEU  85  -2.556  -4.741   3.829
  657   HD21  LEU  85          HD21      LEU  85  -1.727  -6.982   4.736
  658   HD22  LEU  85          HD22      LEU  85  -3.089  -7.707   3.854
  659   HD23  LEU  85          HD23      LEU  85  -1.418  -8.296   3.577
  660    H    ARG  86           H        ARG  86  -3.638  -5.729  -1.106
  661    HA   ARG  86           HA       ARG  86  -1.968  -7.200  -2.973
  662    HB2  ARG  86           HB2      ARG  86  -4.872  -6.517  -3.593
  663    HB3  ARG  86           HB3      ARG  86  -3.633  -6.680  -4.853
  664    HG2  ARG  86           HG2      ARG  86  -4.520  -8.849  -2.932
  665    HG3  ARG  86           HG3      ARG  86  -4.839  -8.766  -4.679
  666    HD2  ARG  86           HD2      ARG  86  -2.346  -8.816  -5.060
  667    HD3  ARG  86           HD3      ARG  86  -2.134  -9.071  -3.314
  668    HE   ARG  86           HE       ARG  86  -3.925 -11.009  -4.457
  669   HH11  ARG  86          HH11      ARG  86  -0.527 -10.155  -3.952
  670   HH12  ARG  86          HH12      ARG  86   0.034 -11.804  -4.068
  671   HH21  ARG  86          HH21      ARG  86  -3.161 -13.170  -4.602
  672   HH22  ARG  86          HH22      ARG  86  -1.458 -13.510  -4.418
  673    H    VAL  87           H        VAL  87  -0.509  -5.695  -3.418
  674    HA   VAL  87           HA       VAL  87  -1.391  -2.887  -3.770
  675    HB   VAL  87           HB       VAL  87  -0.865  -2.826  -1.515
  676   HG11  VAL  87          HG11      VAL  87   0.068  -4.965  -1.100
  677   HG12  VAL  87          HG12      VAL  87   1.537  -4.562  -2.056
  678   HG13  VAL  87          HG13      VAL  87   1.205  -3.750  -0.511
  679   HG21  VAL  87          HG21      VAL  87   0.370  -1.086  -2.833
  680   HG22  VAL  87          HG22      VAL  87   1.205  -1.528  -1.329
  681   HG23  VAL  87          HG23      VAL  87   1.785  -2.163  -2.881
  682    H    GLN  88           H        GLN  88  -0.714  -2.204  -5.600
  683    HA   GLN  88           HA       GLN  88   2.000  -2.693  -6.632
  684    HB2  GLN  88           HB2      GLN  88  -0.544  -3.625  -8.065
  685    HB3  GLN  88           HB3      GLN  88   1.014  -3.376  -8.850
  686    HG2  GLN  88           HG2      GLN  88   1.018  -5.652  -8.479
  687    HG3  GLN  88           HG3      GLN  88   1.989  -5.030  -7.141
  688   HE21  GLN  88          HE22      GLN  88   1.559  -7.029  -6.004
  689   HE22  GLN  88          HE21      GLN  88   0.029  -7.293  -5.210
  690    H    MET  89           H        MET  89   2.292  -1.421  -8.655
  691    HA   MET  89           HA       MET  89   1.707   1.282  -8.109
  692    HB2  MET  89           HB2      MET  89   2.736  -0.167 -10.568
  693    HB3  MET  89           HB3      MET  89   2.813   1.602 -10.345
  694    HG2  MET  89           HG2      MET  89   3.874  -0.279  -8.205
  695    HG3  MET  89           HG3      MET  89   4.859   0.082  -9.604
  696    HE1  MET  89           HE1      MET  89   5.355   0.669  -6.353
  697    HE2  MET  89           HE2      MET  89   6.576   0.796  -7.642
  698    HE3  MET  89           HE3      MET  89   6.314   2.160  -6.527
  699    H    ALA  90           H        ALA  90   0.279   2.744  -8.984
  700    HA   ALA  90           HA       ALA  90  -2.217   1.839 -10.138
  701    HB1  ALA  90           HB1      ALA  90  -2.721   4.228 -10.250
  702    HB2  ALA  90           HB2      ALA  90  -2.073   3.769  -8.660
  703    HB3  ALA  90           HB3      ALA  90  -1.038   4.613  -9.843
  704    H    ARG  91           H        ARG  91  -3.086   2.859 -12.158
  705    HA   ARG  91           HA       ARG  91  -1.069   3.540 -14.208
  706    HB2  ARG  91           HB2      ARG  91  -1.542   1.061 -14.270
  707    HB3  ARG  91           HB3      ARG  91  -3.222   1.446 -14.695
  708    HG2  ARG  91           HG2      ARG  91  -2.438   2.548 -16.771
  709    HG3  ARG  91           HG3      ARG  91  -0.751   2.313 -16.267
  710    HD2  ARG  91           HD2      ARG  91  -1.350   0.612 -17.890
  711    HD3  ARG  91           HD3      ARG  91  -1.116  -0.151 -16.310
  712    HE   ARG  91           HE       ARG  91  -3.867   0.500 -16.572
  713   HH11  ARG  91          HH11      ARG  91  -1.478  -1.650 -18.050
  714   HH12  ARG  91          HH12      ARG  91  -2.666  -2.857 -18.490
  715   HH21  ARG  91          HH21      ARG  91  -5.390  -1.077 -17.171
  716   HH22  ARG  91          HH22      ARG  91  -4.879  -2.527 -18.002
  717    H    TYR  92           H        TYR  92  -3.744   4.419 -12.545
  718    HA   TYR  92           HA       TYR  92  -4.695   6.102 -14.802
  719    HB2  TYR  92           HB2      TYR  92  -6.594   4.988 -12.759
  720    HB3  TYR  92           HB3      TYR  92  -6.967   5.771 -14.291
  721    HD1  TYR  92           HD2      TYR  92  -5.744   4.408 -16.397
  722    HD2  TYR  92           HD1      TYR  92  -7.076   2.753 -12.656
  723    HE1  TYR  92           HE2      TYR  92  -5.911   2.161 -17.447
  724    HE2  TYR  92           HE1      TYR  92  -7.248   0.515 -13.690
  725    HH   TYR  92           HH       TYR  92  -6.996  -0.710 -15.602
  726    H    GLY  93           H        GLY  93  -6.044   8.010 -13.894
  727    HA2  GLY  93           HA2      GLY  93  -4.584   9.045 -11.491
  728    HA3  GLY  93           HA3      GLY  93  -4.996  10.006 -12.913
  729    H    ARG  94           H        ARG  94  -5.794  11.198 -10.755
  730    HA   ARG  94           HA       ARG  94  -8.176  10.335  -9.495
  731    HB2  ARG  94           HB2      ARG  94  -7.171  13.178  -9.932
  732    HB3  ARG  94           HB3      ARG  94  -8.403  12.664  -8.768
  733    HG2  ARG  94           HG2      ARG  94  -6.665  11.118  -7.739
  734    HG3  ARG  94           HG3      ARG  94  -5.450  11.912  -8.764
  735    HD2  ARG  94           HD2      ARG  94  -7.247  13.224  -6.688
  736    HD3  ARG  94           HD3      ARG  94  -5.504  12.941  -6.537
  737    HE   ARG  94           HE       ARG  94  -5.578  14.445  -8.781
  738   HH11  ARG  94          HH11      ARG  94  -7.128  14.862  -5.637
  739   HH12  ARG  94          HH12      ARG  94  -7.223  16.598  -5.768
  740   HH21  ARG  94          HH21      ARG  94  -5.664  16.730  -8.923
  741   HH22  ARG  94          HH22      ARG  94  -6.364  17.654  -7.620
  742    HA   PRO  95           HA       PRO  95 -11.178  11.178 -12.616
  743    HB2  PRO  95           HB2      PRO  95 -13.465  11.044 -11.174
  744    HB3  PRO  95           HB3      PRO  95 -12.384   9.618 -11.312
  745    HG2  PRO  95           HG2      PRO  95 -12.486  11.652  -9.058
  746    HG3  PRO  95           HG3      PRO  95 -12.562   9.869  -8.915
  747    HD2  PRO  95           HD2      PRO  95 -10.217  11.259  -8.643
  748    HD3  PRO  95           HD3      PRO  95 -10.263   9.642  -9.419
  749    HA   PRO  96           HA       PRO  96 -12.348  15.519 -12.149
  750    HB2  PRO  96           HB2      PRO  96 -13.872  15.821 -14.368
  751    HB3  PRO  96           HB3      PRO  96 -12.098  15.553 -14.481
  752    HG2  PRO  96           HG2      PRO  96 -14.330  13.525 -14.803
  753    HG3  PRO  96           HG3      PRO  96 -12.884  13.756 -15.846
  754    HD2  PRO  96           HD2      PRO  96 -13.032  11.863 -13.836
  755    HD3  PRO  96           HD3      PRO  96 -11.504  12.649 -14.339
  756    H    ASP  97           H        ASP  97 -14.821  13.042 -13.000
  757    HA   ASP  97           HA       ASP  97 -16.554  13.707 -10.817
  758    HB2  ASP  97           HB2      ASP  97 -17.067  15.673 -12.213
  759    HB3  ASP  97           HB3      ASP  97 -17.332  14.623 -13.616
  760    H    SER  98           H        SER  98 -18.174  12.058 -10.604
  761    HA   SER  98           HA       SER  98 -18.995  10.499 -12.903
  762    HB2  SER  98           HB2      SER  98 -16.709   9.496 -12.113
  763    HB3  SER  98           HB3      SER  98 -17.668   8.891 -10.733
  764    HG   SER  98           HG       SER  98 -19.038   7.877 -12.224
  765    H    HIS  99           H        HIS  99 -19.930  12.028 -10.246
  766    HA   HIS  99           HA       HIS  99 -21.870   9.910  -9.440
  767    HB2  HIS  99           HB2      HIS  99 -21.537  10.356  -7.150
  768    HB3  HIS  99           HB3      HIS  99 -19.919  10.171  -7.820
  769    HD2  HIS  99           HD2      HIS  99 -18.248  12.081  -7.300
  770    HE1  HIS  99           HE1      HIS  99 -20.968  15.106  -6.061
  771    HE2  HIS  99           HE2      HIS  99 -18.500  14.479  -6.311
  772    H    HIS 100           H        HIS 100 -23.586  11.059  -7.900
  773    HA   HIS 100           HA       HIS 100 -24.362  13.676  -9.044
  774    HB2  HIS 100           HB2      HIS 100 -26.604  12.801  -9.605
  775    HB3  HIS 100           HB3      HIS 100 -25.329  12.039 -10.559
  776    HD2  HIS 100           HD2      HIS 100 -27.868  11.261  -7.756
  777    HE1  HIS 100           HE1      HIS 100 -26.245   7.538  -9.015
  778    HE2  HIS 100           HE2      HIS 100 -28.015   8.657  -7.561
  779    H    SER 101           H        SER 101 -23.707  12.089  -6.339
  780    HA   SER 101           HA       SER 101 -25.675  13.586  -4.726
  781    HB2  SER 101           HB2      SER 101 -25.201  10.585  -4.526
  782    HB3  SER 101           HB3      SER 101 -26.058  11.555  -3.311
  783    HG   SER 101           HG       SER 101 -27.498  10.596  -4.810
  784    H5'    U 102           H5'        U 102 -10.817  -2.676 -13.483
  785   H5''    U 102          H5''        U 102  -9.907  -4.120 -13.036
  786    H4'    U 102           H4'        U 102 -10.067  -2.730 -11.095
  787    H3'    U 102           H3'        U 102 -10.892  -5.381 -11.041
  788    H2'    U 102           H2'        U 102 -13.209  -4.874 -11.286
  789   HO2'    U 102          HO2'        U 102 -12.924  -6.036  -9.285
  790    H1'    U 102           H1'        U 102 -12.789  -2.590  -9.333
  791    H3     U 102           H3         U 102 -17.049  -1.107  -9.529
  792    H5     U 102           H5         U 102 -16.540  -3.004 -13.245
  793    H6     U 102           H6         U 102 -14.241  -3.508 -12.588
  794   HO5'    U 102          HO5'        U 102 -11.795  -4.599 -14.255
  795    H5'    G 103           H5'        G 103  -8.762  -2.040  -7.138
  796   H5''    G 103          H5''        G 103 -10.384  -1.981  -7.868
  797    H4'    G 103           H4'        G 103  -9.485   0.276  -7.515
  798    H3'    G 103           H3'        G 103  -9.985  -0.790 -10.255
  799    H2'    G 103           H2'        G 103  -8.584   0.429 -11.310
  800   HO2'    G 103          HO2'        G 103 -10.154   2.161 -11.250
  801    H1'    G 103           H1'        G 103  -7.742   1.992  -8.895
  802    H8     G 103           H8         G 103  -5.716   3.008 -10.112
  803    H1     G 103           H1         G 103  -4.120  -2.600 -12.812
  804    H21    G 103           H21        G 103  -5.678  -4.125 -12.330
  805    H22    G 103           H22        G 103  -7.064  -3.737 -11.333
  806    H5'    G 104           H5'        G 104 -11.032   4.917 -10.397
  807   H5''    G 104          H5''        G 104  -9.857   4.119  -9.331
  808    H4'    G 104           H4'        G 104 -12.341   4.784  -7.930
  809    H3'    G 104           H3'        G 104 -10.690   6.944  -9.301
  810    H2'    G 104           H2'        G 104 -11.272   8.443  -7.573
  811   HO2'    G 104          HO2'        G 104 -13.487   7.607  -7.276
  812    H1'    G 104           H1'        G 104 -10.618   6.658  -5.663
  813    H8     G 104           H8         G 104  -9.009   8.868  -5.630
  814    H1     G 104           H1         G 104  -5.536   6.325 -10.387
  815    H21    G 104           H21        G 104  -6.596   4.517 -11.193
  816    H22    G 104           H22        G 104  -8.146   4.007 -10.536
  817    H5'    A 105           H5'        A 105 -15.814   8.618 -10.277
  818   H5''    A 105          H5''        A 105 -14.213   9.285 -10.015
  819    H4'    A 105           H4'        A 105 -15.628  11.006  -9.443
  820    H3'    A 105           H3'        A 105 -14.218   9.812  -7.292
  821    H2'    A 105           H2'        A 105 -15.714   9.308  -5.724
  822   HO2'    A 105          HO2'        A 105 -15.881  11.551  -5.151
  823    H1'    A 105           H1'        A 105 -18.220   9.908  -6.812
  824    H8     A 105           H8         A 105 -15.508   7.474  -6.167
  825    H61    A 105           H61        A 105 -19.626   3.006  -7.325
  826    H62    A 105           H62        A 105 -18.031   3.370  -6.688
  827    H2     A 105           H2         A 105 -21.346   6.857  -8.725
  828    H5'    G 106           H5'        G 106 -15.955  15.440  -5.483
  829   H5''    G 106          H5''        G 106 -14.475  14.492  -5.483
  830    H4'    G 106           H4'        G 106 -16.965  13.842  -3.849
  831    H3'    G 106           H3'        G 106 -15.275  15.958  -3.352
  832    H2'    G 106           H2'        G 106 -13.220  14.909  -3.154
  833   HO2'    G 106          HO2'        G 106 -14.554  14.284  -0.716
  834    H1'    G 106           H1'        G 106 -14.016  12.414  -1.975
  835    H8     G 106           H8         G 106 -13.188  13.276  -5.688
  836    H1     G 106           H1         G 106  -8.598  10.296  -2.343
  837    H21    G 106           H21        G 106  -9.195  10.124  -0.238
  838    H22    G 106           H22        G 106 -10.780  10.630   0.327
  839    H5'    U 107           H5'        U 107 -15.435  17.495  -1.672
  840   H5''    U 107          H5''        U 107 -16.785  18.420  -0.967
  841    H4'    U 107           H4'        U 107 -16.989  19.743  -2.986
  842    H3'    U 107           H3'        U 107 -15.447  17.578  -4.264
  843   HO3'    U 107          HO3'        U 107 -17.410  18.505  -5.042
  844    H2'    U 107           H2'        U 107 -13.478  18.771  -4.238
  845   HO2'    U 107          HO2'        U 107 -15.092  20.190  -6.106
  846    H1'    U 107           H1'        U 107 -15.164  21.232  -3.964
  847    H3     U 107           H3         U 107 -11.595  24.017  -3.733
  848    H5     U 107           H5         U 107 -10.235  20.586  -1.725
  849    H6     U 107           H6         U 107 -12.368  19.538  -2.185
  Start of MODEL    9
    1    H    MET   1           H1       MET   1 -14.131  13.030  10.071
    2    HA   MET   1           HA       MET   1 -15.117  14.989   8.137
    3    HB2  MET   1           HB2      MET   1 -12.962  16.060   8.270
    4    HB3  MET   1           HB3      MET   1 -13.674  16.000   9.881
    5    HG2  MET   1           HG2      MET   1 -11.570  14.068   8.815
    6    HG3  MET   1           HG3      MET   1 -11.239  15.479   9.816
    7    HE1  MET   1           HE1      MET   1  -9.825  14.004  11.423
    8    HE2  MET   1           HE2      MET   1 -10.413  12.512  12.191
    9    HE3  MET   1           HE3      MET   1 -10.177  12.573  10.425
   10    H    SER   2           H        SER   2 -13.650  15.113   6.190
   11    HA   SER   2           HA       SER   2 -12.371  12.551   5.448
   12    HB2  SER   2           HB2      SER   2 -14.703  13.795   3.934
   13    HB3  SER   2           HB3      SER   2 -13.730  12.418   3.380
   14    HG   SER   2           HG       SER   2 -15.675  11.782   4.408
   15    H    TYR   3           H        TYR   3 -11.501  12.781   3.117
   16    HA   TYR   3           HA       TYR   3  -9.714  14.975   2.968
   17    HB2  TYR   3           HB2      TYR   3 -10.733  13.021   0.866
   18    HB3  TYR   3           HB3      TYR   3  -9.370  14.101   0.624
   19    HD1  TYR   3           HD1      TYR   3 -10.590  11.121   2.428
   20    HD2  TYR   3           HD2      TYR   3  -7.212  13.669   1.673
   21    HE1  TYR   3           HE1      TYR   3  -9.090   9.413   3.423
   22    HE2  TYR   3           HE2      TYR   3  -5.694  11.961   2.650
   23    HH   TYR   3           HH       TYR   3  -6.928   8.864   3.963
   24    H    GLY   4           H        GLY   4 -12.952  14.487   1.708
   25    HA2  GLY   4           HA2      GLY   4 -14.299  15.574   0.330
   26    HA3  GLY   4           HA3      GLY   4 -13.787  17.056   1.184
   27    H    ARG   5           H        ARG   5 -12.537  14.776  -1.260
   28    HA   ARG   5           HA       ARG   5 -11.387  15.042  -3.195
   29    HB2  ARG   5           HB2      ARG   5 -12.779  16.423  -4.871
   30    HB3  ARG   5           HB3      ARG   5 -13.372  14.915  -4.168
   31    HG2  ARG   5           HG2      ARG   5 -14.718  16.125  -2.534
   32    HG3  ARG   5           HG3      ARG   5 -14.143  17.684  -3.189
   33    HD2  ARG   5           HD2      ARG   5 -15.421  15.492  -4.823
   34    HD3  ARG   5           HD3      ARG   5 -16.383  16.779  -4.045
   35    HE   ARG   5           HE       ARG   5 -14.639  18.280  -5.438
   36   HH11  ARG   5          HH11      ARG   5 -16.353  15.371  -6.504
   37   HH12  ARG   5          HH12      ARG   5 -16.443  15.908  -8.164
   38   HH21  ARG   5          HH21      ARG   5 -14.767  18.936  -7.604
   39   HH22  ARG   5          HH22      ARG   5 -15.522  17.902  -8.791
   40    HA   PRO   6           HA       PRO   6  -9.415  19.147  -2.223
   41    HB2  PRO   6           HB2      PRO   6  -7.059  18.294  -1.182
   42    HB3  PRO   6           HB3      PRO   6  -8.569  18.279  -0.206
   43    HG2  PRO   6           HG2      PRO   6  -7.308  15.978  -1.726
   44    HG3  PRO   6           HG3      PRO   6  -7.873  15.990  -0.024
   45    HD2  PRO   6           HD2      PRO   6  -9.405  15.055  -2.119
   46    HD3  PRO   6           HD3      PRO   6 -10.128  15.838  -0.700
   47    HA   PRO   7           HA       PRO   7  -6.968  18.809  -5.994
   48    HB2  PRO   7           HB2      PRO   7  -5.464  21.069  -5.870
   49    HB3  PRO   7           HB3      PRO   7  -7.238  21.125  -6.130
   50    HG2  PRO   7           HG2      PRO   7  -5.731  21.510  -3.529
   51    HG3  PRO   7           HG3      PRO   7  -7.051  22.514  -4.202
   52    HD2  PRO   7           HD2      PRO   7  -7.471  20.550  -2.323
   53    HD3  PRO   7           HD3      PRO   7  -8.682  20.917  -3.591
   54    HA   PRO   8           HA       PRO   8  -3.462  16.852  -3.971
   55    HB2  PRO   8           HB2      PRO   8  -3.050  14.891  -5.763
   56    HB3  PRO   8           HB3      PRO   8  -4.567  14.927  -4.810
   57    HG2  PRO   8           HG2      PRO   8  -4.101  16.000  -7.617
   58    HG3  PRO   8           HG3      PRO   8  -5.382  14.860  -7.071
   59    HD2  PRO   8           HD2      PRO   8  -5.766  17.587  -7.258
   60    HD3  PRO   8           HD3      PRO   8  -6.570  16.581  -6.013
   61    H    ASP   9           H        ASP   9  -1.331  15.891  -5.101
   62    HA   ASP   9           HA       ASP   9  -0.251  17.753  -7.144
   63    HB2  ASP   9           HB2      ASP   9   1.099  16.916  -4.540
   64    HB3  ASP   9           HB3      ASP   9   1.876  17.813  -5.851
   65    H    VAL  10           H        VAL  10  -1.400  15.013  -7.067
   66    HA   VAL  10           HA       VAL  10   0.602  13.010  -7.146
   67    HB   VAL  10           HB       VAL  10  -1.229  11.664  -8.227
   68   HG11  VAL  10          HG11      VAL  10  -1.842  13.313  -5.740
   69   HG12  VAL  10          HG12      VAL  10  -2.816  11.926  -6.254
   70   HG13  VAL  10          HG13      VAL  10  -1.100  11.708  -5.830
   71   HG21  VAL  10          HG21      VAL  10  -2.309  13.506  -9.510
   72   HG22  VAL  10          HG22      VAL  10  -3.467  12.697  -8.431
   73   HG23  VAL  10          HG23      VAL  10  -2.804  14.281  -7.994
   74    H    GLU  11           H        GLU  11   0.250  15.534  -9.251
   75    HA   GLU  11           HA       GLU  11   0.588  14.224 -11.796
   76    HB2  GLU  11           HB2      GLU  11   1.078  16.537 -12.571
   77    HB3  GLU  11           HB3      GLU  11  -0.396  16.444 -11.588
   78    HG2  GLU  11           HG2      GLU  11   0.842  17.250  -9.616
   79    HG3  GLU  11           HG3      GLU  11   2.341  17.307 -10.561
   80    H    GLY  12           H        GLY  12   2.648  13.908  -9.321
   81    HA2  GLY  12           HA2      GLY  12   4.995  13.687 -11.017
   82    HA3  GLY  12           HA3      GLY  12   5.087  15.041  -9.881
   83    H    MET  13           H        MET  13   3.570  11.807  -9.363
   84    HA   MET  13           HA       MET  13   5.740  11.189  -7.417
   85    HB2  MET  13           HB2      MET  13   4.187  10.551  -5.739
   86    HB3  MET  13           HB3      MET  13   3.814  12.217  -6.211
   87    HG2  MET  13           HG2      MET  13   1.893  11.552  -7.452
   88    HG3  MET  13           HG3      MET  13   2.402   9.870  -7.506
   89    HE1  MET  13           HE1      MET  13   0.910  11.745  -3.542
   90    HE2  MET  13           HE2      MET  13   2.441  12.174  -4.334
   91    HE3  MET  13           HE3      MET  13   0.893  12.679  -5.057
   92    H    THR  14           H        THR  14   5.361   8.865  -6.503
   93    HA   THR  14           HA       THR  14   5.556   7.086  -8.752
   94    HB   THR  14           HB       THR  14   5.676   6.781  -5.741
   95   HG21  THR  14          HG21      THR  14   5.893   4.577  -7.830
   96   HG22  THR  14          HG22      THR  14   6.388   4.434  -6.123
   97   HG23  THR  14          HG23      THR  14   4.682   4.685  -6.522
   98    H    SER  15           H        SER  15   2.875   8.021  -6.675
   99    HA   SER  15           HA       SER  15   0.782   7.210  -6.411
  100    HB2  SER  15           HB2      SER  15   1.167   6.956  -9.413
  101    HB3  SER  15           HB3      SER  15  -0.407   6.862  -8.602
  102    HG   SER  15           HG       SER  15   0.297   8.999  -9.405
  103    H    LEU  16           H        LEU  16   2.209   5.197  -5.414
  104    HA   LEU  16           HA       LEU  16   1.616   2.641  -6.638
  105    HB2  LEU  16           HB2      LEU  16   3.152   3.132  -4.616
  106    HB3  LEU  16           HB3      LEU  16   1.651   3.246  -3.669
  107    HG   LEU  16           HG       LEU  16   1.088   0.875  -4.425
  108   HD11  LEU  16          HD11      LEU  16   4.041   0.848  -5.170
  109   HD12  LEU  16          HD12      LEU  16   2.909  -0.523  -5.183
  110   HD13  LEU  16          HD13      LEU  16   2.705   0.807  -6.345
  111   HD21  LEU  16          HD21      LEU  16   3.555   1.380  -2.754
  112   HD22  LEU  16          HD22      LEU  16   1.869   1.361  -2.186
  113   HD23  LEU  16          HD23      LEU  16   2.623  -0.134  -2.780
  114    H    LYS  17           H        LYS  17  -0.136   1.129  -5.776
  115    HA   LYS  17           HA       LYS  17  -2.326   2.517  -4.365
  116    HB2  LYS  17           HB2      LYS  17  -4.039   1.662  -5.783
  117    HB3  LYS  17           HB3      LYS  17  -2.881   2.512  -6.811
  118    HG2  LYS  17           HG2      LYS  17  -1.917   0.395  -7.558
  119    HG3  LYS  17           HG3      LYS  17  -2.878  -0.512  -6.367
  120    HD2  LYS  17           HD2      LYS  17  -4.955   0.316  -7.484
  121    HD3  LYS  17           HD3      LYS  17  -3.940   1.065  -8.733
  122    HE2  LYS  17           HE2      LYS  17  -4.734  -1.109  -9.517
  123    HE3  LYS  17           HE3      LYS  17  -2.986  -1.189  -9.255
  124    HZ1  LYS  17           HZ1      LYS  17  -5.006  -2.082  -7.297
  125    HZ2  LYS  17           HZ2      LYS  17  -4.223  -3.082  -8.353
  126    HZ3  LYS  17           HZ3      LYS  17  -3.389  -2.280  -7.180
  127    H    VAL  18           H        VAL  18  -3.726   1.196  -3.183
  128    HA   VAL  18           HA       VAL  18  -2.843  -1.654  -2.787
  129    HB   VAL  18           HB       VAL  18  -3.680   0.353  -0.660
  130   HG11  VAL  18          HG11      VAL  18  -3.187  -2.641  -0.549
  131   HG12  VAL  18          HG12      VAL  18  -3.129  -1.589   0.878
  132   HG13  VAL  18          HG13      VAL  18  -4.635  -1.748  -0.062
  133   HG21  VAL  18          HG21      VAL  18  -1.284   0.527  -1.445
  134   HG22  VAL  18          HG22      VAL  18  -1.468   0.062   0.259
  135   HG23  VAL  18          HG23      VAL  18  -1.063  -1.169  -0.956
  136    H    ASP  19           H        ASP  19  -4.562  -3.102  -2.551
  137    HA   ASP  19           HA       ASP  19  -7.332  -2.122  -2.259
  138    HB2  ASP  19           HB2      ASP  19  -6.371  -3.825  -4.601
  139    HB3  ASP  19           HB3      ASP  19  -8.047  -3.388  -4.266
  140    H    ASN  20           H        ASN  20  -8.796  -4.261  -2.497
  141    HA   ASN  20           HA       ASN  20  -9.248  -6.450  -2.163
  142    HB2  ASN  20           HB2      ASN  20  -6.875  -6.751  -3.044
  143    HB3  ASN  20           HB3      ASN  20  -6.394  -7.011  -1.350
  144   HD21  ASN  20          HD22      ASN  20  -5.937  -9.158  -1.300
  145   HD22  ASN  20          HD21      ASN  20  -6.971 -10.415  -1.957
  146    H    LEU  21           H        LEU  21  -9.638  -4.467  -0.157
  147    HA   LEU  21           HA       LEU  21  -8.918  -5.292   2.452
  148    HB2  LEU  21           HB2      LEU  21 -11.321  -3.810   1.302
  149    HB3  LEU  21           HB3      LEU  21 -11.083  -4.026   3.020
  150    HG   LEU  21           HG       LEU  21 -10.350  -1.815   1.823
  151   HD11  LEU  21          HD11      LEU  21  -8.607  -3.208   3.869
  152   HD12  LEU  21          HD12      LEU  21  -8.749  -1.448   3.618
  153   HD13  LEU  21          HD13      LEU  21 -10.140  -2.370   4.214
  154   HD21  LEU  21          HD21      LEU  21  -8.743  -2.805   0.193
  155   HD22  LEU  21          HD22      LEU  21  -7.915  -1.742   1.348
  156   HD23  LEU  21          HD23      LEU  21  -7.805  -3.491   1.552
  157    H    THR  22           H        THR  22 -10.309  -6.284   4.044
  158    HA   THR  22           HA       THR  22 -12.047  -8.400   2.893
  159    HB   THR  22           HB       THR  22 -10.397  -8.504   5.451
  160   HG21  THR  22          HG21      THR  22 -11.676 -10.599   3.669
  161   HG22  THR  22          HG22      THR  22 -10.499 -10.966   4.962
  162   HG23  THR  22          HG23      THR  22 -12.056 -10.220   5.384
  163    H    TYR  23           H        TYR  23 -13.572  -9.286   4.675
  164    HA   TYR  23           HA       TYR  23 -15.330  -7.247   5.575
  165    HB2  TYR  23           HB2      TYR  23 -16.516  -9.131   6.626
  166    HB3  TYR  23           HB3      TYR  23 -16.037  -9.504   4.967
  167    HD1  TYR  23           HD2      TYR  23 -15.436 -10.261   8.532
  168    HD2  TYR  23           HD1      TYR  23 -14.338 -11.172   4.472
  169    HE1  TYR  23           HE2      TYR  23 -14.260 -12.314   9.309
  170    HE2  TYR  23           HE1      TYR  23 -13.172 -13.226   5.245
  171    HH   TYR  23           HH       TYR  23 -12.563 -14.493   7.042
  172    H    ARG  24           H        ARG  24 -12.372  -7.625   6.785
  173    HA   ARG  24           HA       ARG  24 -13.139  -7.048   9.601
  174    HB2  ARG  24           HB2      ARG  24 -11.177  -8.416  10.298
  175    HB3  ARG  24           HB3      ARG  24 -12.395  -9.376   9.437
  176    HG2  ARG  24           HG2      ARG  24 -11.083  -9.077   7.314
  177    HG3  ARG  24           HG3      ARG  24  -9.820  -8.244   8.238
  178    HD2  ARG  24           HD2      ARG  24 -10.811 -11.073   8.729
  179    HD3  ARG  24           HD3      ARG  24  -9.353 -10.649   7.810
  180    HE   ARG  24           HE       ARG  24  -9.734 -10.498  10.739
  181   HH11  ARG  24          HH11      ARG  24  -7.649  -9.792   7.956
  182   HH12  ARG  24          HH12      ARG  24  -6.238  -9.518   8.943
  183   HH21  ARG  24          HH21      ARG  24  -7.859 -10.166  11.987
  184   HH22  ARG  24          HH22      ARG  24  -6.351  -9.754  11.210
  185    H    THR  25           H        THR  25 -12.273  -5.500   7.057
  186    HA   THR  25           HA       THR  25 -10.032  -4.017   8.344
  187    HB   THR  25           HB       THR  25 -10.151  -4.306   5.346
  188   HG21  THR  25          HG21      THR  25  -7.915  -4.044   7.425
  189   HG22  THR  25          HG22      THR  25  -7.670  -4.155   5.674
  190   HG23  THR  25          HG23      THR  25  -8.519  -2.750   6.360
  191    H    SER  26           H        SER  26  -9.759  -1.791   7.304
  192    HA   SER  26           HA       SER  26 -12.186  -0.573   6.181
  193    HB2  SER  26           HB2      SER  26 -12.494   0.955   8.083
  194    HB3  SER  26           HB3      SER  26 -12.571  -0.716   8.668
  195    HG   SER  26           HG       SER  26 -11.217   0.610   9.960
  196    HA   PRO  27           HA       PRO  27  -9.137   2.054   4.488
  197    HB2  PRO  27           HB2      PRO  27 -10.216   4.588   4.471
  198    HB3  PRO  27           HB3      PRO  27 -10.736   3.258   3.391
  199    HG2  PRO  27           HG2      PRO  27 -11.988   4.184   5.986
  200    HG3  PRO  27           HG3      PRO  27 -12.811   3.777   4.440
  201    HD2  PRO  27           HD2      PRO  27 -12.675   2.026   6.518
  202    HD3  PRO  27           HD3      PRO  27 -12.589   1.466   4.832
  203    H    ASP  28           H        ASP  28 -10.440   3.131   7.643
  204    HA   ASP  28           HA       ASP  28  -8.280   4.962   8.200
  205    HB2  ASP  28           HB2      ASP  28 -10.504   4.918   9.389
  206    HB3  ASP  28           HB3      ASP  28  -9.994   3.395  10.156
  207    H    THR  29           H        THR  29  -8.795   1.450   8.665
  208    HA   THR  29           HA       THR  29  -6.380   1.102  10.220
  209    HB   THR  29           HB       THR  29  -7.975  -0.875   8.531
  210   HG21  THR  29          HG21      THR  29  -5.780  -1.245  10.610
  211   HG22  THR  29          HG22      THR  29  -6.798  -2.563   9.974
  212   HG23  THR  29          HG23      THR  29  -5.706  -1.682   8.888
  213    H    LEU  30           H        LEU  30  -7.261   0.816   6.739
  214    HA   LEU  30           HA       LEU  30  -4.744  -0.080   5.832
  215    HB2  LEU  30           HB2      LEU  30  -7.255   0.848   4.796
  216    HB3  LEU  30           HB3      LEU  30  -5.978   1.678   3.906
  217    HG   LEU  30           HG       LEU  30  -6.779  -0.464   2.868
  218   HD11  LEU  30          HD11      LEU  30  -4.503  -1.388   2.454
  219   HD12  LEU  30          HD12      LEU  30  -4.603   0.384   2.261
  220   HD13  LEU  30          HD13      LEU  30  -3.875  -0.307   3.729
  221   HD21  LEU  30          HD21      LEU  30  -7.056  -1.696   5.057
  222   HD22  LEU  30          HD22      LEU  30  -6.188  -2.595   3.791
  223   HD23  LEU  30          HD23      LEU  30  -5.289  -1.861   5.129
  224    H    ARG  31           H        ARG  31  -5.683   3.060   7.033
  225    HA   ARG  31           HA       ARG  31  -3.453   4.448   5.726
  226    HB2  ARG  31           HB2      ARG  31  -5.556   5.644   6.323
  227    HB3  ARG  31           HB3      ARG  31  -5.302   5.242   8.021
  228    HG2  ARG  31           HG2      ARG  31  -4.592   7.563   7.495
  229    HG3  ARG  31           HG3      ARG  31  -3.266   6.576   8.120
  230    HD2  ARG  31           HD2      ARG  31  -2.424   6.229   5.810
  231    HD3  ARG  31           HD3      ARG  31  -3.740   7.233   5.183
  232    HE   ARG  31           HE       ARG  31  -1.573   8.176   7.027
  233   HH11  ARG  31          HH11      ARG  31  -3.824   8.844   4.372
  234   HH12  ARG  31          HH12      ARG  31  -3.181  10.456   4.116
  235   HH21  ARG  31          HH21      ARG  31  -0.795  10.205   6.670
  236   HH22  ARG  31          HH22      ARG  31  -1.470  11.237   5.419
  237    H    ARG  32           H        ARG  32  -4.288   3.586   9.132
  238    HA   ARG  32           HA       ARG  32  -1.720   4.354  10.119
  239    HB2  ARG  32           HB2      ARG  32  -2.563   3.545  12.242
  240    HB3  ARG  32           HB3      ARG  32  -3.891   4.316  11.354
  241    HG2  ARG  32           HG2      ARG  32  -4.957   2.449  12.138
  242    HG3  ARG  32           HG3      ARG  32  -4.453   1.918  10.532
  243    HD2  ARG  32           HD2      ARG  32  -4.006   0.138  12.061
  244    HD3  ARG  32           HD3      ARG  32  -2.432   0.812  11.660
  245    HE   ARG  32           HE       ARG  32  -3.942   1.206  14.209
  246   HH11  ARG  32          HH11      ARG  32  -0.876   1.484  12.429
  247   HH12  ARG  32          HH12      ARG  32   0.040   1.785  13.888
  248   HH21  ARG  32          HH21      ARG  32  -2.703   1.621  16.048
  249   HH22  ARG  32          HH22      ARG  32  -0.976   1.870  15.914
  250    H    VAL  33           H        VAL  33  -2.614   1.660   8.308
  251    HA   VAL  33           HA       VAL  33  -0.525  -0.093   9.484
  252    HB   VAL  33           HB       VAL  33  -2.754  -0.506   7.461
  253   HG11  VAL  33          HG11      VAL  33  -2.108  -2.900   7.479
  254   HG12  VAL  33          HG12      VAL  33  -0.878  -1.867   6.737
  255   HG13  VAL  33          HG13      VAL  33  -0.635  -2.481   8.395
  256   HG21  VAL  33          HG21      VAL  33  -3.385  -0.404   9.859
  257   HG22  VAL  33          HG22      VAL  33  -3.608  -2.034   9.185
  258   HG23  VAL  33          HG23      VAL  33  -2.204  -1.682  10.225
  259    H    PHE  34           H        PHE  34  -1.270   1.777   6.500
  260    HA   PHE  34           HA       PHE  34   1.263   0.759   5.327
  261    HB2  PHE  34           HB2      PHE  34  -1.249   2.029   4.291
  262    HB3  PHE  34           HB3      PHE  34   0.216   2.261   3.385
  263    HD1  PHE  34           HD1      PHE  34  -2.025  -0.354   4.804
  264    HD2  PHE  34           HD2      PHE  34   1.132   0.507   2.015
  265    HE1  PHE  34           HE1      PHE  34  -2.321  -2.589   3.772
  266    HE2  PHE  34           HE2      PHE  34   0.848  -1.737   1.000
  267    HZ   PHE  34           HZ       PHE  34  -0.884  -3.278   1.863
  268    H    GLU  35           H        GLU  35   0.106   3.449   7.135
  269    HA   GLU  35           HA       GLU  35   1.892   5.429   5.994
  270    HB2  GLU  35           HB2      GLU  35  -0.149   6.063   7.129
  271    HB3  GLU  35           HB3      GLU  35   0.360   5.217   8.612
  272    HG2  GLU  35           HG2      GLU  35   2.079   6.789   9.046
  273    HG3  GLU  35           HG3      GLU  35   1.926   7.527   7.429
  274    H    LYS  36           H        LYS  36   2.265   2.803   8.293
  275    HA   LYS  36           HA       LYS  36   4.434   3.972   9.782
  276    HB2  LYS  36           HB2      LYS  36   4.753   1.771  10.699
  277    HB3  LYS  36           HB3      LYS  36   3.013   2.109  10.603
  278    HG2  LYS  36           HG2      LYS  36   2.957   0.786   8.452
  279    HG3  LYS  36           HG3      LYS  36   4.659   0.351   8.736
  280    HD2  LYS  36           HD2      LYS  36   4.007  -0.625  10.951
  281    HD3  LYS  36           HD3      LYS  36   2.317  -0.225  10.605
  282    HE2  LYS  36           HE2      LYS  36   2.657  -2.550  10.066
  283    HE3  LYS  36           HE3      LYS  36   2.432  -1.654   8.556
  284    HZ1  LYS  36           HZ1      LYS  36   4.252  -3.195   8.399
  285    HZ2  LYS  36           HZ2      LYS  36   4.833  -1.665   8.296
  286    HZ3  LYS  36           HZ3      LYS  36   5.012  -2.515   9.693
  287    H    TYR  37           H        TYR  37   4.273   2.382   6.688
  288    HA   TYR  37           HA       TYR  37   7.072   1.685   6.516
  289    HB2  TYR  37           HB2      TYR  37   4.947   2.156   4.395
  290    HB3  TYR  37           HB3      TYR  37   6.570   1.531   4.069
  291    HD1  TYR  37           HD2      TYR  37   3.396   0.752   5.910
  292    HD2  TYR  37           HD1      TYR  37   7.115  -0.714   4.323
  293    HE1  TYR  37           HE2      TYR  37   2.692  -1.564   6.406
  294    HE2  TYR  37           HE1      TYR  37   6.405  -3.044   4.812
  295    HH   TYR  37           HH       TYR  37   4.774  -4.389   5.679
  296    H    GLY  38           H        GLY  38   5.180   4.623   5.854
  297    HA2  GLY  38           HA2      GLY  38   7.411   6.322   6.213
  298    HA3  GLY  38           HA3      GLY  38   7.194   6.085   4.476
  299    H    ARG  39           H        ARG  39   4.975   6.568   3.564
  300    HA   ARG  39           HA       ARG  39   3.085   8.081   5.162
  301    HB2  ARG  39           HB2      ARG  39   3.324  10.148   3.749
  302    HB3  ARG  39           HB3      ARG  39   4.642   9.884   4.906
  303    HG2  ARG  39           HG2      ARG  39   6.105   9.045   3.138
  304    HG3  ARG  39           HG3      ARG  39   4.772   9.101   1.967
  305    HD2  ARG  39           HD2      ARG  39   6.154  11.073   1.641
  306    HD3  ARG  39           HD3      ARG  39   4.618  11.577   2.344
  307    HE   ARG  39           HE       ARG  39   5.700  12.141   4.345
  308   HH11  ARG  39          HH11      ARG  39   7.963  10.589   2.108
  309   HH12  ARG  39          HH12      ARG  39   9.370  11.024   3.054
  310   HH21  ARG  39          HH21      ARG  39   7.551  12.708   5.531
  311   HH22  ARG  39          HH22      ARG  39   9.136  12.207   4.988
  312    H    VAL  40           H        VAL  40   1.301   8.924   3.789
  313    HA   VAL  40           HA       VAL  40   0.951   7.378   1.272
  314    HB   VAL  40           HB       VAL  40  -1.032   7.477   3.590
  315   HG11  VAL  40          HG11      VAL  40  -1.099   5.933   0.964
  316   HG12  VAL  40          HG12      VAL  40  -2.305   5.831   2.261
  317   HG13  VAL  40          HG13      VAL  40  -2.112   7.346   1.361
  318   HG21  VAL  40          HG21      VAL  40   0.836   5.983   4.138
  319   HG22  VAL  40          HG22      VAL  40  -0.617   5.040   3.774
  320   HG23  VAL  40          HG23      VAL  40   0.676   5.177   2.556
  321    H    GLY  41           H        GLY  41  -0.204   8.502  -0.272
  322    HA2  GLY  41           HA2      GLY  41  -0.525  11.347   0.128
  323    HA3  GLY  41           HA3      GLY  41  -0.967  10.401  -1.316
  324    H    ASP  42           H        ASP  42  -2.779   8.556  -0.310
  325    HA   ASP  42           HA       ASP  42  -4.618   9.644   1.580
  326    HB2  ASP  42           HB2      ASP  42  -6.522  10.065   0.087
  327    HB3  ASP  42           HB3      ASP  42  -5.218  11.202  -0.207
  328    H    VAL  43           H        VAL  43  -6.717   8.366   1.522
  329    HA   VAL  43           HA       VAL  43  -6.685   5.725   0.266
  330    HB   VAL  43           HB       VAL  43  -5.256   5.025   1.961
  331   HG11  VAL  43          HG11      VAL  43  -5.321   5.683   4.283
  332   HG12  VAL  43          HG12      VAL  43  -5.091   7.099   3.247
  333   HG13  VAL  43          HG13      VAL  43  -6.690   6.774   3.982
  334   HG21  VAL  43          HG21      VAL  43  -7.483   3.762   2.002
  335   HG22  VAL  43          HG22      VAL  43  -6.535   3.692   3.503
  336   HG23  VAL  43          HG23      VAL  43  -7.937   4.772   3.386
  337    H    TYR  44           H        TYR  44  -8.744   5.210  -0.171
  338    HA   TYR  44           HA       TYR  44 -10.777   5.513   1.836
  339    HB2  TYR  44           HB2      TYR  44 -11.798   7.370   1.332
  340    HB3  TYR  44           HB3      TYR  44 -10.343   7.837   0.484
  341    HD1  TYR  44           HD1      TYR  44 -10.279   7.257  -2.139
  342    HD2  TYR  44           HD2      TYR  44 -13.824   7.376   0.317
  343    HE1  TYR  44           HE1      TYR  44 -11.679   7.647  -4.152
  344    HE2  TYR  44           HE2      TYR  44 -15.204   7.790  -1.690
  345    HH   TYR  44           HH       TYR  44 -13.751   7.992  -4.956
  346    H    ILE  45           H        ILE  45 -13.060   5.102   0.696
  347    HA   ILE  45           HA       ILE  45 -12.629   2.624  -0.904
  348    HB   ILE  45           HB       ILE  45 -14.536   3.168   1.394
  349   HG12  ILE  45          HG12      ILE  45 -12.048   1.515   0.911
  350   HG13  ILE  45          HG13      ILE  45 -12.334   2.731   2.164
  351   HG21  ILE  45          HG21      ILE  45 -14.299   0.640  -0.298
  352   HG22  ILE  45          HG22      ILE  45 -15.293   0.870   1.156
  353   HG23  ILE  45          HG23      ILE  45 -15.678   1.761  -0.324
  354   HD11  ILE  45          HD11      ILE  45 -13.563  -0.056   2.000
  355   HD12  ILE  45          HD12      ILE  45 -12.326   0.509   3.132
  356   HD13  ILE  45          HD13      ILE  45 -13.983   1.166   3.226
  357    HA   PRO  46           HA       PRO  46 -15.306   5.315  -3.454
  358    HB2  PRO  46           HB2      PRO  46 -14.356   4.517  -5.877
  359    HB3  PRO  46           HB3      PRO  46 -13.459   5.683  -4.844
  360    HG2  PRO  46           HG2      PRO  46 -13.045   2.694  -5.062
  361    HG3  PRO  46           HG3      PRO  46 -11.798   3.982  -5.163
  362    HD2  PRO  46           HD2      PRO  46 -12.277   2.639  -2.857
  363    HD3  PRO  46           HD3      PRO  46 -11.908   4.395  -2.848
  364    H    ARG  47           H        ARG  47 -17.086   4.758  -4.755
  365    HA   ARG  47           HA       ARG  47 -17.864   2.164  -5.595
  366    HB2  ARG  47           HB2      ARG  47 -19.493   1.690  -3.712
  367    HB3  ARG  47           HB3      ARG  47 -17.800   1.503  -3.268
  368    HG2  ARG  47           HG2      ARG  47 -17.884   3.906  -2.351
  369    HG3  ARG  47           HG3      ARG  47 -19.648   3.816  -2.547
  370    HD2  ARG  47           HD2      ARG  47 -19.704   1.838  -1.076
  371    HD3  ARG  47           HD3      ARG  47 -17.932   1.811  -1.020
  372    HE   ARG  47           HE       ARG  47 -18.823   4.350  -0.107
  373   HH11  ARG  47          HH11      ARG  47 -18.772   0.950   0.854
  374   HH12  ARG  47          HH12      ARG  47 -18.738   1.311   2.567
  375   HH21  ARG  47          HH21      ARG  47 -18.770   4.790   2.129
  376   HH22  ARG  47          HH22      ARG  47 -18.739   3.476   3.283
  377    H    ASP  48           H        ASP  48 -20.505   2.189  -5.660
  378    HA   ASP  48           HA       ASP  48 -21.335   4.571  -6.958
  379    HB2  ASP  48           HB2      ASP  48 -22.964   2.442  -5.534
  380    HB3  ASP  48           HB3      ASP  48 -23.619   3.690  -6.626
  381    H    ARG  49           H        ARG  49 -21.391   6.483  -6.124
  382    HA   ARG  49           HA       ARG  49 -20.979   6.942  -3.361
  383    HB2  ARG  49           HB2      ARG  49 -20.606   9.188  -4.025
  384    HB3  ARG  49           HB3      ARG  49 -20.014   8.120  -5.324
  385    HG2  ARG  49           HG2      ARG  49 -22.077   8.549  -6.622
  386    HG3  ARG  49           HG3      ARG  49 -22.609   9.698  -5.367
  387    HD2  ARG  49           HD2      ARG  49 -19.968   9.853  -6.883
  388    HD3  ARG  49           HD3      ARG  49 -21.413  10.792  -7.299
  389    HE   ARG  49           HE       ARG  49 -21.012  11.387  -4.646
  390   HH11  ARG  49          HH11      ARG  49 -19.021  11.595  -7.558
  391   HH12  ARG  49          HH12      ARG  49 -17.974  12.830  -6.881
  392   HH21  ARG  49          HH21      ARG  49 -19.650  13.052  -3.836
  393   HH22  ARG  49          HH22      ARG  49 -18.340  13.653  -4.836
  394    H    TYR  50           H        TYR  50 -23.707   5.843  -4.135
  395    HA   TYR  50           HA       TYR  50 -25.259   7.534  -2.275
  396    HB2  TYR  50           HB2      TYR  50 -27.187   7.467  -3.975
  397    HB3  TYR  50           HB3      TYR  50 -25.877   8.623  -4.255
  398    HD1  TYR  50           HD1      TYR  50 -24.145   8.217  -5.914
  399    HD2  TYR  50           HD2      TYR  50 -27.575   5.664  -5.578
  400    HE1  TYR  50           HE1      TYR  50 -23.521   7.157  -8.043
  401    HE2  TYR  50           HE2      TYR  50 -27.012   4.614  -7.754
  402    HH   TYR  50           HH       TYR  50 -24.123   5.595  -9.654
  403    H    THR  51           H        THR  51 -24.670   4.422  -3.897
  404    HA   THR  51           HA       THR  51 -26.820   3.233  -2.201
  405    HB   THR  51           HB       THR  51 -26.650   1.262  -3.497
  406   HG21  THR  51          HG21      THR  51 -27.904   3.195  -4.520
  407   HG22  THR  51          HG22      THR  51 -26.432   3.571  -5.461
  408   HG23  THR  51          HG23      THR  51 -27.274   2.027  -5.703
  409    H    LYS  52           H        LYS  52 -23.393   3.578  -2.664
  410    HA   LYS  52           HA       LYS  52 -21.578   2.661  -1.764
  411    HB2  LYS  52           HB2      LYS  52 -21.395   3.134   0.670
  412    HB3  LYS  52           HB3      LYS  52 -22.019   4.477  -0.283
  413    HG2  LYS  52           HG2      LYS  52 -23.982   2.614   1.040
  414    HG3  LYS  52           HG3      LYS  52 -23.092   3.763   2.038
  415    HD2  LYS  52           HD2      LYS  52 -23.898   5.652   0.756
  416    HD3  LYS  52           HD3      LYS  52 -24.685   4.593  -0.427
  417    HE2  LYS  52           HE2      LYS  52 -26.137   3.676   1.376
  418    HE3  LYS  52           HE3      LYS  52 -25.398   4.801   2.525
  419    HZ1  LYS  52           HZ1      LYS  52 -27.457   5.659   1.644
  420    HZ2  LYS  52           HZ2      LYS  52 -26.213   6.617   1.183
  421    HZ3  LYS  52           HZ3      LYS  52 -26.888   5.578   0.101
  422    H    GLU  53           H        GLU  53 -23.390   0.529  -2.420
  423    HA   GLU  53           HA       GLU  53 -23.564  -1.369  -0.272
  424    HB2  GLU  53           HB2      GLU  53 -23.655  -1.767  -3.290
  425    HB3  GLU  53           HB3      GLU  53 -24.247  -2.919  -2.058
  426    HG2  GLU  53           HG2      GLU  53 -25.799  -1.108  -1.261
  427    HG3  GLU  53           HG3      GLU  53 -25.252  -0.123  -2.631
  428    H    SER  54           H        SER  54 -20.959  -0.396  -2.285
  429    HA   SER  54           HA       SER  54 -19.575  -3.012  -2.042
  430    HB2  SER  54           HB2      SER  54 -19.628  -1.894  -4.230
  431    HB3  SER  54           HB3      SER  54 -18.774  -0.496  -3.540
  432    HG   SER  54           HG       SER  54 -17.370  -2.019  -4.547
  433    H    ARG  55           H        ARG  55 -17.395  -3.128  -1.286
  434    HA   ARG  55           HA       ARG  55 -16.107  -1.076   0.236
  435    HB2  ARG  55           HB2      ARG  55 -18.223  -1.741   1.622
  436    HB3  ARG  55           HB3      ARG  55 -17.400  -3.277   1.899
  437    HG2  ARG  55           HG2      ARG  55 -15.496  -2.016   2.949
  438    HG3  ARG  55           HG3      ARG  55 -16.391  -0.502   2.669
  439    HD2  ARG  55           HD2      ARG  55 -18.247  -1.309   4.052
  440    HD3  ARG  55           HD3      ARG  55 -17.447  -2.873   4.271
  441    HE   ARG  55           HE       ARG  55 -16.914  -0.413   5.711
  442   HH11  ARG  55          HH11      ARG  55 -15.428  -3.423   4.576
  443   HH12  ARG  55          HH12      ARG  55 -14.198  -3.401   5.822
  444   HH21  ARG  55          HH21      ARG  55 -15.320  -0.472   7.353
  445   HH22  ARG  55          HH22      ARG  55 -14.152  -1.786   7.364
  446    H    GLY  56           H        GLY  56 -15.764  -3.535  -1.699
  447    HA2  GLY  56           HA2      GLY  56 -14.274  -5.475  -0.135
  448    HA3  GLY  56           HA3      GLY  56 -14.540  -5.467  -1.885
  449    H    PHE  57           H        PHE  57 -13.338  -2.416  -1.087
  450    HA   PHE  57           HA       PHE  57 -10.515  -3.112  -0.921
  451    HB2  PHE  57           HB2      PHE  57  -9.884  -2.209  -3.060
  452    HB3  PHE  57           HB3      PHE  57 -11.002  -3.542  -3.309
  453    HD1  PHE  57           HD1      PHE  57 -13.611  -2.743  -3.475
  454    HD2  PHE  57           HD2      PHE  57 -10.158  -0.318  -4.326
  455    HE1  PHE  57           HE1      PHE  57 -14.981  -1.303  -4.943
  456    HE2  PHE  57           HE2      PHE  57 -11.538   1.128  -5.789
  457    HZ   PHE  57           HZ       PHE  57 -13.949   0.636  -6.105
  458    H    ALA  58           H        ALA  58  -9.173  -1.087  -1.090
  459    HA   ALA  58           HA       ALA  58 -10.594   1.439  -0.593
  460    HB1  ALA  58           HB1      ALA  58  -8.604   0.269   1.409
  461    HB2  ALA  58           HB2      ALA  58  -9.387   1.865   1.502
  462    HB3  ALA  58           HB3      ALA  58 -10.355   0.392   1.676
  463    H    PHE  59           H        PHE  59  -9.717   2.198  -2.503
  464    HA   PHE  59           HA       PHE  59  -7.008   1.722  -3.327
  465    HB2  PHE  59           HB2      PHE  59  -8.675   2.351  -4.964
  466    HB3  PHE  59           HB3      PHE  59  -9.066   3.819  -4.078
  467    HD1  PHE  59           HD2      PHE  59  -7.652   5.773  -4.116
  468    HD2  PHE  59           HD1      PHE  59  -6.639   2.297  -6.457
  469    HE1  PHE  59           HE2      PHE  59  -6.007   7.104  -5.403
  470    HE2  PHE  59           HE1      PHE  59  -4.956   3.611  -7.673
  471    HZ   PHE  59           HZ       PHE  59  -4.609   6.004  -7.140
  472    H    VAL  60           H        VAL  60  -5.352   2.238  -2.056
  473    HA   VAL  60           HA       VAL  60  -5.305   5.033  -0.983
  474    HB   VAL  60           HB       VAL  60  -3.786   4.413   0.630
  475   HG11  VAL  60          HG11      VAL  60  -5.054   1.680   0.208
  476   HG12  VAL  60          HG12      VAL  60  -4.507   2.433   1.727
  477   HG13  VAL  60          HG13      VAL  60  -5.936   3.066   0.864
  478   HG21  VAL  60          HG21      VAL  60  -2.919   2.173  -1.199
  479   HG22  VAL  60          HG22      VAL  60  -1.987   3.588  -0.676
  480   HG23  VAL  60          HG23      VAL  60  -2.372   2.321   0.499
  481    H    ARG  61           H        ARG  61  -3.165   6.168  -1.271
  482    HA   ARG  61           HA       ARG  61  -1.683   5.140  -3.606
  483    HB2  ARG  61           HB2      ARG  61  -1.976   7.011  -4.930
  484    HB3  ARG  61           HB3      ARG  61  -3.580   6.864  -4.205
  485    HG2  ARG  61           HG2      ARG  61  -2.932   8.567  -2.494
  486    HG3  ARG  61           HG3      ARG  61  -1.353   8.740  -3.289
  487    HD2  ARG  61           HD2      ARG  61  -4.071   9.332  -4.484
  488    HD3  ARG  61           HD3      ARG  61  -2.819  10.512  -4.078
  489    HE   ARG  61           HE       ARG  61  -1.393   9.274  -5.824
  490   HH11  ARG  61          HH11      ARG  61  -4.921   9.563  -6.007
  491   HH12  ARG  61          HH12      ARG  61  -4.959   9.298  -7.734
  492   HH21  ARG  61          HH21      ARG  61  -1.484   8.972  -8.083
  493   HH22  ARG  61          HH22      ARG  61  -3.029   8.984  -8.904
  494    H    PHE  62           H        PHE  62   0.500   5.663  -3.659
  495    HA   PHE  62           HA       PHE  62   1.555   7.122  -1.246
  496    HB2  PHE  62           HB2      PHE  62   2.591   4.750  -2.818
  497    HB3  PHE  62           HB3      PHE  62   3.650   5.765  -1.885
  498    HD1  PHE  62           HD2      PHE  62   0.418   3.883  -1.326
  499    HD2  PHE  62           HD1      PHE  62   4.217   5.184   0.226
  500    HE1  PHE  62           HE2      PHE  62   0.058   2.526   0.729
  501    HE2  PHE  62           HE1      PHE  62   3.881   3.793   2.237
  502    HZ   PHE  62           HZ       PHE  62   1.842   2.432   2.474
  503    H    HIS  63           H        HIS  63   3.338   8.431  -1.459
  504    HA   HIS  63           HA       HIS  63   3.685   9.578  -4.154
  505    HB2  HIS  63           HB2      HIS  63   5.244  10.889  -2.093
  506    HB3  HIS  63           HB3      HIS  63   3.979  11.539  -3.098
  507    HD2  HIS  63           HD2      HIS  63   3.935   9.206   0.121
  508    HE1  HIS  63           HE1      HIS  63   1.196  12.398   0.697
  509    HE2  HIS  63           HE2      HIS  63   2.225  10.315   1.737
  510    H    ASP  64           H        ASP  64   5.671   8.385  -1.411
  511    HA   ASP  64           HA       ASP  64   8.187   8.797  -2.743
  512    HB2  ASP  64           HB2      ASP  64   7.135   7.456  -0.279
  513    HB3  ASP  64           HB3      ASP  64   8.792   7.051  -0.812
  514    H    LYS  65           H        LYS  65   9.365   7.518  -4.015
  515    HA   LYS  65           HA       LYS  65   8.213   5.192  -5.241
  516    HB2  LYS  65           HB2      LYS  65   9.750   6.697  -6.393
  517    HB3  LYS  65           HB3      LYS  65  10.999   6.400  -5.188
  518    HG2  LYS  65           HG2      LYS  65  11.531   5.179  -7.184
  519    HG3  LYS  65           HG3      LYS  65  11.119   3.995  -5.944
  520    HD2  LYS  65           HD2      LYS  65   8.920   5.015  -7.724
  521    HD3  LYS  65           HD3      LYS  65  10.117   3.914  -8.439
  522    HE2  LYS  65           HE2      LYS  65   8.505   3.312  -5.944
  523    HE3  LYS  65           HE3      LYS  65   8.067   2.791  -7.578
  524    HZ1  LYS  65           HZ1      LYS  65   9.258   1.062  -6.471
  525    HZ2  LYS  65           HZ2      LYS  65  10.161   1.625  -7.719
  526    HZ3  LYS  65           HZ3      LYS  65  10.547   2.035  -6.178
  527    H    ARG  66           H        ARG  66  10.974   5.638  -2.941
  528    HA   ARG  66           HA       ARG  66  11.495   2.846  -2.719
  529    HB2  ARG  66           HB2      ARG  66  12.952   3.401  -0.912
  530    HB3  ARG  66           HB3      ARG  66  13.158   4.584  -2.197
  531    HG2  ARG  66           HG2      ARG  66  11.495   5.024   0.320
  532    HG3  ARG  66           HG3      ARG  66  13.184   5.501   0.130
  533    HD2  ARG  66           HD2      ARG  66  10.846   6.592  -1.477
  534    HD3  ARG  66           HD3      ARG  66  11.751   7.424  -0.206
  535    HE   ARG  66           HE       ARG  66  13.509   6.505  -2.302
  536   HH11  ARG  66          HH11      ARG  66  11.197   9.084  -1.487
  537   HH12  ARG  66          HH12      ARG  66  11.920  10.213  -2.599
  538   HH21  ARG  66          HH21      ARG  66  14.416   8.025  -3.724
  539   HH22  ARG  66          HH22      ARG  66  13.731   9.630  -3.848
  540    H    ASP  67           H        ASP  67   9.247   4.962  -0.974
  541    HA   ASP  67           HA       ASP  67   8.762   3.027   1.140
  542    HB2  ASP  67           HB2      ASP  67   8.486   5.508   1.371
  543    HB3  ASP  67           HB3      ASP  67   7.131   5.425   0.216
  544    H    ALA  68           H        ALA  68   7.533   3.628  -2.130
  545    HA   ALA  68           HA       ALA  68   5.034   2.235  -1.686
  546    HB1  ALA  68           HB1      ALA  68   6.567   3.243  -4.106
  547    HB2  ALA  68           HB2      ALA  68   5.004   2.419  -4.237
  548    HB3  ALA  68           HB3      ALA  68   5.110   3.962  -3.347
  549    H    GLU  69           H        GLU  69   8.248   1.462  -3.127
  550    HA   GLU  69           HA       GLU  69   7.338  -1.170  -3.935
  551    HB2  GLU  69           HB2      GLU  69   9.745  -1.568  -4.429
  552    HB3  GLU  69           HB3      GLU  69   9.104  -0.109  -5.204
  553    HG2  GLU  69           HG2      GLU  69  10.113   1.316  -3.515
  554    HG3  GLU  69           HG3      GLU  69  10.625  -0.076  -2.562
  555    H    ASP  70           H        ASP  70   8.649   0.141  -0.908
  556    HA   ASP  70           HA       ASP  70   9.451  -2.498   0.017
  557    HB2  ASP  70           HB2      ASP  70  10.401  -0.337   0.849
  558    HB3  ASP  70           HB3      ASP  70   8.834   0.027   1.600
  559    H    ALA  71           H        ALA  71   6.529  -0.422   0.290
  560    HA   ALA  71           HA       ALA  71   5.220  -2.078   2.206
  561    HB1  ALA  71           HB1      ALA  71   4.606   0.272   1.753
  562    HB2  ALA  71           HB2      ALA  71   4.057  -0.184   0.124
  563    HB3  ALA  71           HB3      ALA  71   3.212  -0.815   1.555
  564    H    MET  72           H        MET  72   5.410  -2.240  -1.370
  565    HA   MET  72           HA       MET  72   3.291  -4.247  -1.465
  566    HB2  MET  72           HB2      MET  72   3.478  -4.219  -3.700
  567    HB3  MET  72           HB3      MET  72   4.153  -2.619  -3.339
  568    HG2  MET  72           HG2      MET  72   6.434  -3.525  -3.586
  569    HG3  MET  72           HG3      MET  72   5.766  -5.148  -3.848
  570    HE1  MET  72           HE1      MET  72   4.997  -1.566  -4.993
  571    HE2  MET  72           HE2      MET  72   6.663  -1.709  -5.606
  572    HE3  MET  72           HE3      MET  72   5.306  -1.608  -6.748
  573    H    ASP  73           H        ASP  73   6.842  -4.173  -1.433
  574    HA   ASP  73           HA       ASP  73   7.134  -7.037  -1.722
  575    HB2  ASP  73           HB2      ASP  73   8.797  -5.319  -2.466
  576    HB3  ASP  73           HB3      ASP  73   9.129  -4.942  -0.768
  577    H    ALA  74           H        ALA  74   5.885  -5.326   0.880
  578    HA   ALA  74           HA       ALA  74   7.086  -7.270   2.791
  579    HB1  ALA  74           HB1      ALA  74   6.450  -4.347   3.223
  580    HB2  ALA  74           HB2      ALA  74   7.089  -5.464   4.462
  581    HB3  ALA  74           HB3      ALA  74   8.084  -5.038   3.046
  582    H    MET  75           H        MET  75   4.167  -6.074   1.422
  583    HA   MET  75           HA       MET  75   2.745  -7.443   3.653
  584    HB2  MET  75           HB2      MET  75   2.749  -4.774   3.617
  585    HB3  MET  75           HB3      MET  75   1.447  -5.047   2.429
  586    HG2  MET  75           HG2      MET  75   0.473  -6.701   4.119
  587    HG3  MET  75           HG3      MET  75   1.641  -6.049   5.278
  588    HE1  MET  75           HE1      MET  75   0.508  -2.230   5.329
  589    HE2  MET  75           HE2      MET  75   1.643  -3.419   6.014
  590    HE3  MET  75           HE3      MET  75   1.691  -3.016   4.275
  591    H    ASP  76           H        ASP  76   2.829  -6.704   0.155
  592    HA   ASP  76           HA       ASP  76   0.171  -7.554  -0.367
  593    HB2  ASP  76           HB2      ASP  76   1.444  -6.383  -2.056
  594    HB3  ASP  76           HB3      ASP  76   2.727  -7.602  -2.023
  595    H    GLY  77           H        GLY  77  -0.760  -9.501  -0.574
  596    HA2  GLY  77           HA2      GLY  77  -1.020 -11.772  -0.792
  597    HA3  GLY  77           HA3      GLY  77   0.708 -11.916  -1.160
  598    H    ALA  78           H        ALA  78   0.172 -10.265   1.803
  599    HA   ALA  78           HA       ALA  78   1.245 -12.542   3.290
  600    HB1  ALA  78           HB1      ALA  78   2.094 -10.223   3.622
  601    HB2  ALA  78           HB2      ALA  78   0.479  -9.726   4.186
  602    HB3  ALA  78           HB3      ALA  78   1.431 -10.890   5.132
  603    H    VAL  79           H        VAL  79  -1.297 -13.032   2.239
  604    HA   VAL  79           HA       VAL  79  -3.417 -12.293   3.993
  605    HB   VAL  79           HB       VAL  79  -3.608 -12.791   1.559
  606   HG11  VAL  79          HG11      VAL  79  -3.511 -15.715   2.434
  607   HG12  VAL  79          HG12      VAL  79  -3.830 -15.101   0.800
  608   HG13  VAL  79          HG13      VAL  79  -2.221 -14.885   1.527
  609   HG21  VAL  79          HG21      VAL  79  -5.484 -12.584   2.979
  610   HG22  VAL  79          HG22      VAL  79  -5.668 -13.576   1.519
  611   HG23  VAL  79          HG23      VAL  79  -5.582 -14.388   3.102
  612    H    LEU  80           H        LEU  80  -5.015 -14.001   4.669
  613    HA   LEU  80           HA       LEU  80  -3.801 -16.418   5.787
  614    HB2  LEU  80           HB2      LEU  80  -3.975 -15.985   8.053
  615    HB3  LEU  80           HB3      LEU  80  -3.356 -14.463   7.431
  616    HG   LEU  80           HG       LEU  80  -6.249 -15.065   8.212
  617   HD11  LEU  80          HD11      LEU  80  -4.131 -13.244   9.420
  618   HD12  LEU  80          HD12      LEU  80  -5.804 -13.436   9.993
  619   HD13  LEU  80          HD13      LEU  80  -4.675 -14.806  10.083
  620   HD21  LEU  80          HD21      LEU  80  -6.648 -12.659   7.860
  621   HD22  LEU  80          HD22      LEU  80  -5.004 -12.487   7.185
  622   HD23  LEU  80          HD23      LEU  80  -6.235 -13.474   6.344
  623    H    ASP  81           H        ASP  81  -6.448 -14.999   4.359
  624    HA   ASP  81           HA       ASP  81  -8.109 -17.255   5.242
  625    HB2  ASP  81           HB2      ASP  81  -8.565 -15.300   6.758
  626    HB3  ASP  81           HB3      ASP  81  -9.103 -14.383   5.337
  627    H    GLY  82           H        GLY  82  -6.868 -15.503   2.681
  628    HA2  GLY  82           HA2      GLY  82  -7.588 -16.636   0.539
  629    HA3  GLY  82           HA3      GLY  82  -9.245 -16.183   0.988
  630    H    ARG  83           H        ARG  83  -8.029 -13.578   2.180
  631    HA   ARG  83           HA       ARG  83  -6.752 -12.215   0.004
  632    HB2  ARG  83           HB2      ARG  83  -8.379 -10.519  -0.385
  633    HB3  ARG  83           HB3      ARG  83  -9.145 -12.074  -0.759
  634    HG2  ARG  83           HG2      ARG  83 -10.535 -11.932   1.168
  635    HG3  ARG  83           HG3      ARG  83  -9.437 -10.758   1.960
  636    HD2  ARG  83           HD2      ARG  83 -11.349  -9.561   1.210
  637    HD3  ARG  83           HD3      ARG  83  -9.893  -9.088   0.327
  638    HE   ARG  83           HE       ARG  83 -11.350 -11.192  -1.052
  639   HH11  ARG  83          HH11      ARG  83 -11.362  -7.702  -0.483
  640   HH12  ARG  83          HH12      ARG  83 -12.132  -7.336  -2.001
  641   HH21  ARG  83          HH21      ARG  83 -12.408 -10.700  -2.996
  642   HH22  ARG  83          HH22      ARG  83 -12.762  -9.037  -3.410
  643    H    GLU  84           H        GLU  84  -5.575 -10.529   0.911
  644    HA   GLU  84           HA       GLU  84  -6.609  -9.373   3.408
  645    HB2  GLU  84           HB2      GLU  84  -3.981 -10.754   3.140
  646    HB3  GLU  84           HB3      GLU  84  -4.048  -9.283   4.104
  647    HG2  GLU  84           HG2      GLU  84  -5.869 -11.648   4.647
  648    HG3  GLU  84           HG3      GLU  84  -4.373 -11.274   5.507
  649    H    LEU  85           H        LEU  85  -3.964  -9.498   0.989
  650    HA   LEU  85           HA       LEU  85  -4.277  -6.571   0.469
  651    HB2  LEU  85           HB2      LEU  85  -1.684  -8.088   1.026
  652    HB3  LEU  85           HB3      LEU  85  -1.733  -6.538   0.214
  653    HG   LEU  85           HG       LEU  85  -1.090  -6.094   2.392
  654   HD11  LEU  85          HD11      LEU  85  -2.744  -4.543   1.433
  655   HD12  LEU  85          HD12      LEU  85  -4.062  -5.459   2.205
  656   HD13  LEU  85          HD13      LEU  85  -2.862  -4.618   3.210
  657   HD21  LEU  85          HD21      LEU  85  -3.539  -7.400   3.575
  658   HD22  LEU  85          HD22      LEU  85  -2.011  -8.300   3.288
  659   HD23  LEU  85          HD23      LEU  85  -2.049  -6.887   4.375
  660    H    ARG  86           H        ARG  86  -3.793  -5.845  -1.454
  661    HA   ARG  86           HA       ARG  86  -2.260  -7.379  -3.414
  662    HB2  ARG  86           HB2      ARG  86  -5.131  -6.489  -3.808
  663    HB3  ARG  86           HB3      ARG  86  -4.003  -6.516  -5.179
  664    HG2  ARG  86           HG2      ARG  86  -4.603  -8.902  -3.397
  665    HG3  ARG  86           HG3      ARG  86  -5.349  -8.605  -4.979
  666    HD2  ARG  86           HD2      ARG  86  -2.363  -8.972  -4.480
  667    HD3  ARG  86           HD3      ARG  86  -3.454 -10.198  -5.126
  668    HE   ARG  86           HE       ARG  86  -3.850  -8.770  -7.076
  669   HH11  ARG  86          HH11      ARG  86  -0.952  -8.020  -5.147
  670   HH12  ARG  86          HH12      ARG  86  -0.163  -7.221  -6.481
  671   HH21  ARG  86          HH21      ARG  86  -2.759  -7.727  -8.768
  672   HH22  ARG  86          HH22      ARG  86  -1.184  -7.026  -8.495
  673    H    VAL  87           H        VAL  87  -0.648  -5.999  -3.678
  674    HA   VAL  87           HA       VAL  87  -1.244  -3.073  -3.841
  675    HB   VAL  87           HB       VAL  87   1.149  -4.362  -2.507
  676   HG11  VAL  87          HG11      VAL  87   0.177  -1.488  -2.597
  677   HG12  VAL  87          HG12      VAL  87   1.534  -2.090  -1.609
  678   HG13  VAL  87          HG13      VAL  87   1.627  -2.148  -3.382
  679   HG21  VAL  87          HG21      VAL  87   0.137  -3.577  -0.358
  680   HG22  VAL  87          HG22      VAL  87  -1.370  -3.242  -1.258
  681   HG23  VAL  87          HG23      VAL  87  -0.733  -4.903  -1.141
  682    H    GLN  88           H        GLN  88  -0.266  -2.011  -5.465
  683    HA   GLN  88           HA       GLN  88   2.130  -2.839  -6.805
  684    HB2  GLN  88           HB2      GLN  88   0.234  -4.522  -7.538
  685    HB3  GLN  88           HB3      GLN  88  -0.423  -3.152  -8.434
  686    HG2  GLN  88           HG2      GLN  88   1.625  -3.001  -9.767
  687    HG3  GLN  88           HG3      GLN  88   2.416  -4.230  -8.765
  688   HE21  GLN  88          HE22      GLN  88   1.986  -4.313 -11.655
  689   HE22  GLN  88          HE21      GLN  88   0.983  -5.717 -11.962
  690    H    MET  89           H        MET  89   2.163  -1.524  -9.015
  691    HA   MET  89           HA       MET  89   1.761   1.232  -8.249
  692    HB2  MET  89           HB2      MET  89   2.687  -0.173 -10.784
  693    HB3  MET  89           HB3      MET  89   2.777   1.587 -10.542
  694    HG2  MET  89           HG2      MET  89   3.911  -0.334  -8.474
  695    HG3  MET  89           HG3      MET  89   4.848   0.049  -9.885
  696    HE1  MET  89           HE1      MET  89   6.712   0.826  -8.029
  697    HE2  MET  89           HE2      MET  89   6.348   2.038  -6.765
  698    HE3  MET  89           HE3      MET  89   5.513   0.473  -6.761
  699    H    ALA  90           H        ALA  90   0.332   2.738  -9.112
  700    HA   ALA  90           HA       ALA  90  -2.257   1.775  -9.830
  701    HB1  ALA  90           HB1      ALA  90  -1.048   4.565 -10.079
  702    HB2  ALA  90           HB2      ALA  90  -2.779   4.177 -10.107
  703    HB3  ALA  90           HB3      ALA  90  -1.841   3.903  -8.631
  704    H    ARG  91           H        ARG  91  -3.477   2.384 -11.806
  705    HA   ARG  91           HA       ARG  91  -1.763   2.734 -14.207
  706    HB2  ARG  91           HB2      ARG  91  -2.445   0.331 -13.823
  707    HB3  ARG  91           HB3      ARG  91  -4.131   0.853 -13.984
  708    HG2  ARG  91           HG2      ARG  91  -3.217  -0.162 -16.057
  709    HG3  ARG  91           HG3      ARG  91  -3.762   1.504 -16.307
  710    HD2  ARG  91           HD2      ARG  91  -1.611   1.078 -17.439
  711    HD3  ARG  91           HD3      ARG  91  -1.442   2.311 -16.187
  712    HE   ARG  91           HE       ARG  91  -0.859  -0.308 -15.134
  713   HH11  ARG  91          HH11      ARG  91   0.490   2.277 -17.133
  714   HH12  ARG  91          HH12      ARG  91   2.148   1.843 -16.785
  715   HH21  ARG  91          HH21      ARG  91   1.321  -0.848 -14.697
  716   HH22  ARG  91          HH22      ARG  91   2.618   0.084 -15.408
  717    H    TYR  92           H        TYR  92  -4.227   3.946 -12.308
  718    HA   TYR  92           HA       TYR  92  -5.186   5.547 -14.613
  719    HB2  TYR  92           HB2      TYR  92  -6.998   4.874 -12.310
  720    HB3  TYR  92           HB3      TYR  92  -7.413   5.590 -13.861
  721    HD1  TYR  92           HD1      TYR  92  -6.444   3.850 -15.909
  722    HD2  TYR  92           HD2      TYR  92  -7.953   2.814 -12.013
  723    HE1  TYR  92           HE1      TYR  92  -7.052   1.591 -16.741
  724    HE2  TYR  92           HE2      TYR  92  -8.552   0.563 -12.834
  725    HH   TYR  92           HH       TYR  92  -7.962  -0.451 -16.220
  726    H    GLY  93           H        GLY  93  -6.279   7.663 -13.698
  727    HA2  GLY  93           HA2      GLY  93  -4.556   8.664 -11.463
  728    HA3  GLY  93           HA3      GLY  93  -4.869   9.598 -12.929
  729    H    ARG  94           H        ARG  94  -5.466  10.985 -10.819
  730    HA   ARG  94           HA       ARG  94  -7.894  10.595  -9.477
  731    HB2  ARG  94           HB2      ARG  94  -6.016  12.291  -9.085
  732    HB3  ARG  94           HB3      ARG  94  -6.778  13.302 -10.316
  733    HG2  ARG  94           HG2      ARG  94  -8.167  12.276  -7.799
  734    HG3  ARG  94           HG3      ARG  94  -7.345  13.833  -7.912
  735    HD2  ARG  94           HD2      ARG  94  -8.893  14.538  -9.715
  736    HD3  ARG  94           HD3      ARG  94  -9.748  12.994  -9.570
  737    HE   ARG  94           HE       ARG  94  -9.495  14.867  -7.260
  738   HH11  ARG  94          HH11      ARG  94 -11.587  13.002  -9.464
  739   HH12  ARG  94          HH12      ARG  94 -12.967  13.150  -8.395
  740   HH21  ARG  94          HH21      ARG  94 -11.372  15.102  -6.009
  741   HH22  ARG  94          HH22      ARG  94 -12.867  14.334  -6.531
  742    HA   PRO  95           HA       PRO  95 -10.429  10.716 -13.064
  743    HB2  PRO  95           HB2      PRO  95 -12.920  10.576 -11.909
  744    HB3  PRO  95           HB3      PRO  95 -11.783   9.204 -12.066
  745    HG2  PRO  95           HG2      PRO  95 -12.294  10.948  -9.640
  746    HG3  PRO  95           HG3      PRO  95 -12.087   9.187  -9.698
  747    HD2  PRO  95           HD2      PRO  95 -10.034  10.870  -9.024
  748    HD3  PRO  95           HD3      PRO  95  -9.757   9.338  -9.913
  749    HA   PRO  96           HA       PRO  96 -11.404  15.050 -13.438
  750    HB2  PRO  96           HB2      PRO  96 -12.398  15.044 -15.964
  751    HB3  PRO  96           HB3      PRO  96 -10.660  14.682 -15.641
  752    HG2  PRO  96           HG2      PRO  96 -12.942  12.731 -16.088
  753    HG3  PRO  96           HG3      PRO  96 -11.318  12.730 -16.859
  754    HD2  PRO  96           HD2      PRO  96 -11.914  11.181 -14.684
  755    HD3  PRO  96           HD3      PRO  96 -10.293  11.912 -14.913
  756    H    ASP  97           H        ASP  97 -13.715  12.506 -13.634
  757    HA   ASP  97           HA       ASP  97 -15.971  14.354 -13.054
  758    HB2  ASP  97           HB2      ASP  97 -15.851  12.213 -15.200
  759    HB3  ASP  97           HB3      ASP  97 -17.362  12.958 -14.637
  760    H    SER  98           H        SER  98 -17.990  12.448 -12.887
  761    HA   SER  98           HA       SER  98 -16.956  10.469 -10.944
  762    HB2  SER  98           HB2      SER  98 -18.670  11.186  -9.288
  763    HB3  SER  98           HB3      SER  98 -17.416  12.408  -9.588
  764    HG   SER  98           HG       SER  98 -19.514  13.329  -9.626
  765    H    HIS  99           H        HIS  99 -18.190  10.206 -13.642
  766    HA   HIS  99           HA       HIS  99 -19.657   8.782 -14.649
  767    HB2  HIS  99           HB2      HIS  99 -18.432   7.287 -13.061
  768    HB3  HIS  99           HB3      HIS  99 -19.738   7.479 -11.901
  769    HD2  HIS  99           HD2      HIS  99 -21.369   5.472 -11.970
  770    HE1  HIS  99           HE1      HIS  99 -21.104   4.413 -16.082
  771    HE2  HIS  99           HE2      HIS  99 -22.179   3.827 -13.850
  772    H    HIS 100           H        HIS 100 -20.754  11.160 -12.956
  773    HA   HIS 100           HA       HIS 100 -23.594  10.432 -13.268
  774    HB2  HIS 100           HB2      HIS 100 -22.894   9.827 -10.935
  775    HB3  HIS 100           HB3      HIS 100 -22.434  11.513 -10.675
  776    HD2  HIS 100           HD2      HIS 100 -24.253  12.780  -9.351
  777    HE1  HIS 100           HE1      HIS 100 -27.741  10.822 -10.798
  778    HE2  HIS 100           HE2      HIS 100 -26.860  12.625  -9.220
  779    H    SER 101           H        SER 101 -21.222  12.392 -14.146
  780    HA   SER 101           HA       SER 101 -22.950  14.778 -14.425
  781    HB2  SER 101           HB2      SER 101 -20.124  14.804 -13.276
  782    HB3  SER 101           HB3      SER 101 -21.057  16.238 -13.751
  783    HG   SER 101           HG       SER 101 -21.738  14.346 -11.745
  784    H5'    U 102           H5'        U 102 -12.938  -2.494 -12.575
  785   H5''    U 102          H5''        U 102 -12.476  -4.193 -12.311
  786    H4'    U 102           H4'        U 102 -11.408  -2.917 -10.603
  787    H3'    U 102           H3'        U 102 -13.088  -4.983  -9.904
  788    H2'    U 102           H2'        U 102 -15.025  -3.629  -9.549
  789   HO2'    U 102          HO2'        U 102 -13.576  -3.710  -7.109
  790    H1'    U 102           H1'        U 102 -13.312  -1.552  -8.176
  791    H3     U 102           H3         U 102 -16.920   0.821 -11.100
  792    H5     U 102           H5         U 102 -17.690  -0.328  -7.133
  793    H6     U 102           H6         U 102 -15.622  -1.629  -7.187
  794   HO5'    U 102          HO5'        U 102 -14.716  -3.939 -12.732
  795    H5'    G 103           H5'        G 103  -9.009  -2.763  -6.771
  796   H5''    G 103          H5''        G 103 -10.665  -2.188  -7.005
  797    H4'    G 103           H4'        G 103  -9.223  -0.288  -6.724
  798    H3'    G 103           H3'        G 103 -10.006  -0.599  -9.645
  799    H2'    G 103           H2'        G 103  -9.065   1.578  -9.906
  800   HO2'    G 103          HO2'        G 103 -10.003   2.459  -7.941
  801    H1'    G 103           H1'        G 103  -7.027   1.107  -8.018
  802    H8     G 103           H8         G 103  -5.710   2.182 -10.035
  803    H1     G 103           H1         G 103  -6.545  -3.172 -13.487
  804    H21    G 103           H21        G 103  -8.130  -4.435 -12.547
  805    H22    G 103           H22        G 103  -8.923  -3.959 -11.064
  806    H5'    G 104           H5'        G 104 -12.417   4.201  -9.440
  807   H5''    G 104          H5''        G 104 -10.650   4.205  -9.293
  808    H4'    G 104           H4'        G 104 -12.533   4.923  -7.013
  809    H3'    G 104           H3'        G 104 -11.437   6.653  -9.214
  810    H2'    G 104           H2'        G 104 -11.120   8.389  -7.665
  811   HO2'    G 104          HO2'        G 104 -13.346   8.001  -6.851
  812    H1'    G 104           H1'        G 104 -10.561   6.809  -5.437
  813    H8     G 104           H8         G 104  -8.922   8.961  -5.607
  814    H1     G 104           H1         G 104  -5.624   6.029 -10.262
  815    H21    G 104           H21        G 104  -6.601   4.041 -10.702
  816    H22    G 104           H22        G 104  -8.098   3.571  -9.906
  817    H5'    A 105           H5'        A 105 -14.166   9.935 -10.060
  818   H5''    A 105          H5''        A 105 -13.599   9.294  -8.487
  819    H4'    A 105           H4'        A 105 -15.306  11.352  -8.709
  820    H3'    A 105           H3'        A 105 -14.342  10.099  -6.519
  821    H2'    A 105           H2'        A 105 -15.505   8.071  -6.881
  822   HO2'    A 105          HO2'        A 105 -15.938   8.699  -4.740
  823    H1'    A 105           H1'        A 105 -18.083   9.609  -7.241
  824    H8     A 105           H8         A 105 -15.908   6.639  -7.971
  825    H61    A 105           H61        A 105 -21.119   3.697  -9.673
  826    H62    A 105           H62        A 105 -19.397   3.500  -9.387
  827    H2     A 105           H2         A 105 -22.036   8.001  -9.129
  828    H5'    G 106           H5'        G 106 -16.315  10.835  -3.934
  829   H5''    G 106          H5''        G 106 -16.788  12.438  -3.370
  830    H4'    G 106           H4'        G 106 -16.044  10.839  -1.587
  831    H3'    G 106           H3'        G 106 -15.614  13.581  -1.666
  832    H2'    G 106           H2'        G 106 -13.430  13.631  -2.409
  833   HO2'    G 106          HO2'        G 106 -13.285  12.842   0.324
  834    H1'    G 106           H1'        G 106 -12.570  11.235  -0.986
  835    H8     G 106           H8         G 106 -12.847  12.812  -4.538
  836    H1     G 106           H1         G 106  -7.321   9.858  -3.147
  837    H21    G 106           H21        G 106  -7.551   8.698  -1.295
  838    H22    G 106           H22        G 106  -9.010   8.763  -0.319
  839    H5'    U 107           H5'        U 107 -18.546  14.913   0.075
  840   H5''    U 107          H5''        U 107 -17.213  14.645  -1.081
  841    H4'    U 107           H4'        U 107 -16.462  16.494   1.066
  842    H3'    U 107           H3'        U 107 -18.651  17.312  -0.854
  843   HO3'    U 107          HO3'        U 107 -19.454  16.590   1.203
  844    H2'    U 107           H2'        U 107 -17.814  19.512  -0.450
  845   HO2'    U 107          HO2'        U 107 -17.484  19.200   1.876
  846    H1'    U 107           H1'        U 107 -15.159  18.554  -0.462
  847    H3     U 107           H3         U 107 -14.958  21.190  -4.110
  848    H5     U 107           H5         U 107 -18.439  18.951  -4.799
  849    H6     U 107           H6         U 107 -18.085  17.837  -2.670
  Start of MODEL   10
    1    H    MET   1           H1       MET   1  -4.312  18.319   4.958
    2    HA   MET   1           HA       MET   1  -4.774  17.643   2.726
    3    HB2  MET   1           HB2      MET   1  -3.893  14.916   3.746
    4    HB3  MET   1           HB3      MET   1  -4.790  15.185   2.245
    5    HG2  MET   1           HG2      MET   1  -2.499  15.003   1.670
    6    HG3  MET   1           HG3      MET   1  -2.981  16.683   1.449
    7    HE1  MET   1           HE1      MET   1   0.814  16.937   2.377
    8    HE2  MET   1           HE2      MET   1   0.022  15.652   1.439
    9    HE3  MET   1           HE3      MET   1  -0.457  17.351   1.203
   10    H    SER   2           H        SER   2  -6.855  16.736   2.136
   11    HA   SER   2           HA       SER   2  -8.524  15.661   4.309
   12    HB2  SER   2           HB2      SER   2 -10.219  17.364   4.065
   13    HB3  SER   2           HB3      SER   2  -8.676  18.131   4.490
   14    HG   SER   2           HG       SER   2  -9.734  19.211   2.771
   15    H    TYR   3           H        TYR   3 -10.973  15.725   3.106
   16    HA   TYR   3           HA       TYR   3 -10.575  14.418   0.469
   17    HB2  TYR   3           HB2      TYR   3 -12.089  13.301   2.852
   18    HB3  TYR   3           HB3      TYR   3 -12.095  12.617   1.219
   19    HD1  TYR   3           HD1      TYR   3  -9.958  13.347   4.148
   20    HD2  TYR   3           HD2      TYR   3 -10.307  11.312   0.393
   21    HE1  TYR   3           HE1      TYR   3  -7.867  12.076   4.659
   22    HE2  TYR   3           HE2      TYR   3  -8.224  10.033   0.877
   23    HH   TYR   3           HH       TYR   3  -6.367  10.529   3.899
   24    H    GLY   4           H        GLY   4 -11.550  17.068   1.216
   25    HA2  GLY   4           HA2      GLY   4 -14.332  16.829   0.174
   26    HA3  GLY   4           HA3      GLY   4 -13.785  18.140   1.251
   27    H    ARG   5           H        ARG   5 -12.684  16.481  -1.688
   28    HA   ARG   5           HA       ARG   5 -11.663  17.080  -3.556
   29    HB2  ARG   5           HB2      ARG   5 -12.932  18.591  -4.998
   30    HB3  ARG   5           HB3      ARG   5 -13.829  17.265  -4.248
   31    HG2  ARG   5           HG2      ARG   5 -14.789  18.747  -2.594
   32    HG3  ARG   5           HG3      ARG   5 -13.844  20.135  -3.220
   33    HD2  ARG   5           HD2      ARG   5 -15.579  18.434  -4.992
   34    HD3  ARG   5           HD3      ARG   5 -16.324  19.724  -4.021
   35    HE   ARG   5           HE       ARG   5 -14.641  20.028  -6.408
   36   HH11  ARG   5          HH11      ARG   5 -15.866  21.610  -3.501
   37   HH12  ARG   5          HH12      ARG   5 -15.634  23.227  -4.138
   38   HH21  ARG   5          HH21      ARG   5 -14.334  22.142  -7.210
   39   HH22  ARG   5          HH22      ARG   5 -14.767  23.524  -6.233
   40    HA   PRO   6           HA       PRO   6  -9.334  20.949  -2.285
   41    HB2  PRO   6           HB2      PRO   6  -7.162  19.911  -1.025
   42    HB3  PRO   6           HB3      PRO   6  -8.690  20.207  -0.127
   43    HG2  PRO   6           HG2      PRO   6  -7.746  17.599  -1.376
   44    HG3  PRO   6           HG3      PRO   6  -8.304  17.869   0.306
   45    HD2  PRO   6           HD2      PRO   6  -9.987  16.956  -1.630
   46    HD3  PRO   6           HD3      PRO   6 -10.542  18.116  -0.379
   47    HA   PRO   7           HA       PRO   7  -6.846  19.792  -5.862
   48    HB2  PRO   7           HB2      PRO   7  -5.057  21.838  -5.960
   49    HB3  PRO   7           HB3      PRO   7  -6.800  22.084  -6.293
   50    HG2  PRO   7           HG2      PRO   7  -5.303  22.596  -3.705
   51    HG3  PRO   7           HG3      PRO   7  -6.461  23.673  -4.547
   52    HD2  PRO   7           HD2      PRO   7  -7.206  22.046  -2.463
   53    HD3  PRO   7           HD3      PRO   7  -8.306  22.416  -3.828
   54    HA   PRO   8           HA       PRO   8  -3.538  17.765  -3.518
   55    HB2  PRO   8           HB2      PRO   8  -3.401  15.496  -4.914
   56    HB3  PRO   8           HB3      PRO   8  -4.886  15.863  -3.975
   57    HG2  PRO   8           HG2      PRO   8  -4.404  16.361  -6.932
   58    HG3  PRO   8           HG3      PRO   8  -5.777  15.475  -6.170
   59    HD2  PRO   8           HD2      PRO   8  -5.873  18.156  -6.842
   60    HD3  PRO   8           HD3      PRO   8  -6.750  17.475  -5.441
   61    H    ASP   9           H        ASP   9  -1.602  16.309  -4.738
   62    HA   ASP   9           HA       ASP   9  -0.521  17.924  -6.980
   63    HB2  ASP   9           HB2      ASP   9   0.432  18.686  -4.798
   64    HB3  ASP   9           HB3      ASP   9   1.036  17.048  -4.512
   65    H    VAL  10           H        VAL  10  -1.913  15.311  -6.695
   66    HA   VAL  10           HA       VAL  10  -0.101  13.136  -6.914
   67    HB   VAL  10           HB       VAL  10  -2.068  11.925  -7.822
   68   HG11  VAL  10          HG11      VAL  10  -3.523  12.267  -5.835
   69   HG12  VAL  10          HG12      VAL  10  -1.796  12.154  -5.408
   70   HG13  VAL  10          HG13      VAL  10  -2.613  13.730  -5.426
   71   HG21  VAL  10          HG21      VAL  10  -3.079  13.736  -9.170
   72   HG22  VAL  10          HG22      VAL  10  -4.240  13.115  -7.978
   73   HG23  VAL  10          HG23      VAL  10  -3.426  14.662  -7.693
   74    H    GLU  11           H        GLU  11  -0.521  15.683  -9.055
   75    HA   GLU  11           HA       GLU  11  -0.409  14.293 -11.579
   76    HB2  GLU  11           HB2      GLU  11   0.040  16.551 -12.468
   77    HB3  GLU  11           HB3      GLU  11  -1.334  16.547 -11.344
   78    HG2  GLU  11           HG2      GLU  11   0.113  17.390  -9.539
   79    HG3  GLU  11           HG3      GLU  11   1.513  17.362 -10.631
   80    H    GLY  12           H        GLY  12   1.848  14.104  -9.242
   81    HA2  GLY  12           HA2      GLY  12   4.048  13.738 -11.112
   82    HA3  GLY  12           HA3      GLY  12   4.246  15.128 -10.035
   83    H    MET  13           H        MET  13   2.734  11.931  -9.303
   84    HA   MET  13           HA       MET  13   5.015  11.380  -7.461
   85    HB2  MET  13           HB2      MET  13   3.561  10.792  -5.681
   86    HB3  MET  13           HB3      MET  13   3.143  12.435  -6.189
   87    HG2  MET  13           HG2      MET  13   1.155  11.700  -7.267
   88    HG3  MET  13           HG3      MET  13   1.703  10.029  -7.333
   89    HE1  MET  13           HE1      MET  13   0.414  11.948  -3.313
   90    HE2  MET  13           HE2      MET  13   1.923  12.347  -4.168
   91    HE3  MET  13           HE3      MET  13   0.358  12.855  -4.847
   92    H    THR  14           H        THR  14   4.760   9.110  -6.462
   93    HA   THR  14           HA       THR  14   4.906   7.257  -8.636
   94    HB   THR  14           HB       THR  14   5.138   7.068  -5.617
   95   HG21  THR  14          HG21      THR  14   5.443   4.811  -7.643
   96   HG22  THR  14          HG22      THR  14   5.935   4.742  -5.933
   97   HG23  THR  14          HG23      THR  14   4.225   4.900  -6.342
   98    H    SER  15           H        SER  15   2.283   8.154  -6.490
   99    HA   SER  15           HA       SER  15   0.223   7.314  -6.112
  100    HB2  SER  15           HB2      SER  15   0.401   6.789  -9.108
  101    HB3  SER  15           HB3      SER  15  -1.090   6.916  -8.149
  102    HG   SER  15           HG       SER  15   0.848   8.911  -8.671
  103    H    LEU  16           H        LEU  16   2.172   5.278  -5.464
  104    HA   LEU  16           HA       LEU  16   1.413   2.759  -6.625
  105    HB2  LEU  16           HB2      LEU  16   3.443   2.849  -5.516
  106    HB3  LEU  16           HB3      LEU  16   2.780   3.569  -4.065
  107    HG   LEU  16           HG       LEU  16   3.554   1.252  -3.776
  108   HD11  LEU  16          HD11      LEU  16   0.564   1.328  -3.325
  109   HD12  LEU  16          HD12      LEU  16   1.818   0.496  -2.394
  110   HD13  LEU  16          HD13      LEU  16   1.739   2.270  -2.362
  111   HD21  LEU  16          HD21      LEU  16   1.219   0.398  -5.501
  112   HD22  LEU  16          HD22      LEU  16   2.932   0.403  -6.013
  113   HD23  LEU  16          HD23      LEU  16   2.395  -0.640  -4.680
  114    H    LYS  17           H        LYS  17  -0.212   1.354  -6.234
  115    HA   LYS  17           HA       LYS  17  -2.480   2.468  -4.676
  116    HB2  LYS  17           HB2      LYS  17  -2.862   2.282  -7.063
  117    HB3  LYS  17           HB3      LYS  17  -2.243   0.622  -7.074
  118    HG2  LYS  17           HG2      LYS  17  -4.169  -0.043  -5.559
  119    HG3  LYS  17           HG3      LYS  17  -4.804   1.597  -5.765
  120    HD2  LYS  17           HD2      LYS  17  -5.872   0.040  -7.341
  121    HD3  LYS  17           HD3      LYS  17  -4.864   1.198  -8.241
  122    HE2  LYS  17           HE2      LYS  17  -4.614  -1.133  -9.057
  123    HE3  LYS  17           HE3      LYS  17  -3.087  -0.483  -8.452
  124    HZ1  LYS  17           HZ1      LYS  17  -3.387  -1.696  -6.452
  125    HZ2  LYS  17           HZ2      LYS  17  -4.892  -2.176  -6.869
  126    HZ3  LYS  17           HZ3      LYS  17  -3.593  -2.753  -7.707
  127    H    VAL  18           H        VAL  18  -3.656   1.186  -3.260
  128    HA   VAL  18           HA       VAL  18  -2.889  -1.693  -3.096
  129    HB   VAL  18           HB       VAL  18  -2.588  -1.738  -0.848
  130   HG11  VAL  18          HG11      VAL  18  -0.849  -0.207  -1.699
  131   HG12  VAL  18          HG12      VAL  18  -1.915   1.185  -1.380
  132   HG13  VAL  18          HG13      VAL  18  -1.311   0.198  -0.036
  133   HG21  VAL  18          HG21      VAL  18  -4.463   0.632  -0.680
  134   HG22  VAL  18          HG22      VAL  18  -4.734  -1.015  -0.103
  135   HG23  VAL  18          HG23      VAL  18  -3.524   0.010   0.710
  136    H    ASP  19           H        ASP  19  -4.502  -3.096  -2.295
  137    HA   ASP  19           HA       ASP  19  -7.280  -2.181  -2.003
  138    HB2  ASP  19           HB2      ASP  19  -6.381  -4.034  -4.253
  139    HB3  ASP  19           HB3      ASP  19  -8.056  -3.671  -3.830
  140    H    ASN  20           H        ASN  20  -8.640  -4.442  -2.084
  141    HA   ASN  20           HA       ASN  20  -8.892  -6.655  -1.733
  142    HB2  ASN  20           HB2      ASN  20  -6.174  -6.684  -1.934
  143    HB3  ASN  20           HB3      ASN  20  -6.380  -7.208  -0.253
  144   HD21  ASN  20          HD22      ASN  20  -5.730  -9.302  -0.546
  145   HD22  ASN  20          HD21      ASN  20  -6.577 -10.449  -1.570
  146    H    LEU  21           H        LEU  21  -9.522  -4.410   0.054
  147    HA   LEU  21           HA       LEU  21  -9.114  -4.916   2.779
  148    HB2  LEU  21           HB2      LEU  21 -11.402  -3.655   1.218
  149    HB3  LEU  21           HB3      LEU  21 -11.391  -3.713   2.969
  150    HG   LEU  21           HG       LEU  21 -10.564  -1.577   1.766
  151   HD11  LEU  21          HD11      LEU  21  -8.912  -2.863   3.957
  152   HD12  LEU  21          HD12      LEU  21  -9.040  -1.115   3.618
  153   HD13  LEU  21          HD13      LEU  21 -10.463  -2.009   4.180
  154   HD21  LEU  21          HD21      LEU  21  -8.886  -2.671   0.262
  155   HD22  LEU  21          HD22      LEU  21  -8.146  -1.469   1.331
  156   HD23  LEU  21          HD23      LEU  21  -7.975  -3.195   1.698
  157    H    THR  22           H        THR  22  -9.809  -6.447   4.126
  158    HA   THR  22           HA       THR  22 -11.552  -8.537   3.160
  159    HB   THR  22           HB       THR  22 -10.520  -8.061   5.990
  160   HG21  THR  22          HG21      THR  22 -11.417 -10.504   4.436
  161   HG22  THR  22          HG22      THR  22 -10.434 -10.614   5.920
  162   HG23  THR  22          HG23      THR  22 -12.049  -9.889   5.990
  163    H    TYR  23           H        TYR  23 -13.429  -9.261   4.637
  164    HA   TYR  23           HA       TYR  23 -15.429  -7.246   4.725
  165    HB2  TYR  23           HB2      TYR  23 -16.797  -9.015   5.716
  166    HB3  TYR  23           HB3      TYR  23 -15.866  -9.633   4.351
  167    HD1  TYR  23           HD1      TYR  23 -13.967 -11.186   4.708
  168    HD2  TYR  23           HD2      TYR  23 -16.372  -9.764   7.979
  169    HE1  TYR  23           HE1      TYR  23 -13.030 -12.961   6.149
  170    HE2  TYR  23           HE2      TYR  23 -15.447 -11.555   9.436
  171    HH   TYR  23           HH       TYR  23 -13.052 -13.940   8.234
  172    H    ARG  24           H        ARG  24 -12.866  -7.268   6.686
  173    HA   ARG  24           HA       ARG  24 -14.336  -6.271   9.067
  174    HB2  ARG  24           HB2      ARG  24 -12.806  -7.583  10.501
  175    HB3  ARG  24           HB3      ARG  24 -13.749  -8.625   9.430
  176    HG2  ARG  24           HG2      ARG  24 -11.735  -8.517   7.802
  177    HG3  ARG  24           HG3      ARG  24 -10.818  -7.841   9.167
  178    HD2  ARG  24           HD2      ARG  24 -11.373  -9.840  10.505
  179    HD3  ARG  24           HD3      ARG  24 -12.372 -10.452   9.167
  180    HE   ARG  24           HE       ARG  24  -9.731  -9.978   8.198
  181   HH11  ARG  24          HH11      ARG  24 -11.475 -12.156  10.362
  182   HH12  ARG  24          HH12      ARG  24 -10.405 -13.507  10.059
  183   HH21  ARG  24          HH21      ARG  24  -8.390 -11.769   7.775
  184   HH22  ARG  24          HH22      ARG  24  -8.649 -13.277   8.625
  185    H    THR  25           H        THR  25 -12.704  -5.144   6.698
  186    HA   THR  25           HA       THR  25 -10.654  -3.692   8.317
  187    HB   THR  25           HB       THR  25 -10.473  -4.103   5.323
  188   HG21  THR  25          HG21      THR  25  -8.447  -3.679   7.575
  189   HG22  THR  25          HG22      THR  25  -8.026  -3.952   5.869
  190   HG23  THR  25          HG23      THR  25  -8.905  -2.485   6.343
  191    H    SER  26           H        SER  26 -10.095  -1.519   7.358
  192    HA   SER  26           HA       SER  26 -12.337  -0.082   6.083
  193    HB2  SER  26           HB2      SER  26 -12.577   1.432   8.004
  194    HB3  SER  26           HB3      SER  26 -12.826  -0.234   8.553
  195    HG   SER  26           HG       SER  26 -11.406   0.910   9.918
  196    HA   PRO  27           HA       PRO  27  -8.970   2.315   4.568
  197    HB2  PRO  27           HB2      PRO  27  -9.857   4.896   4.499
  198    HB3  PRO  27           HB3      PRO  27 -10.489   3.617   3.416
  199    HG2  PRO  27           HG2      PRO  27 -11.679   4.641   6.011
  200    HG3  PRO  27           HG3      PRO  27 -12.518   4.346   4.452
  201    HD2  PRO  27           HD2      PRO  27 -12.578   2.552   6.487
  202    HD3  PRO  27           HD3      PRO  27 -12.521   2.008   4.800
  203    H    ASP  28           H        ASP  28 -10.333   3.238   7.680
  204    HA   ASP  28           HA       ASP  28  -8.161   4.994   8.440
  205    HB2  ASP  28           HB2      ASP  28 -10.436   4.901   9.555
  206    HB3  ASP  28           HB3      ASP  28  -9.940   3.340  10.259
  207    H    THR  29           H        THR  29  -8.789   1.484   8.713
  208    HA   THR  29           HA       THR  29  -6.345   0.990  10.224
  209    HB   THR  29           HB       THR  29  -8.131  -0.875   8.596
  210   HG21  THR  29          HG21      THR  29  -5.907  -1.398  10.613
  211   HG22  THR  29          HG22      THR  29  -7.015  -2.640   9.973
  212   HG23  THR  29          HG23      THR  29  -5.889  -1.804   8.883
  213    H    LEU  30           H        LEU  30  -7.399   0.777   6.782
  214    HA   LEU  30           HA       LEU  30  -4.983  -0.272   5.782
  215    HB2  LEU  30           HB2      LEU  30  -7.455   0.759   4.805
  216    HB3  LEU  30           HB3      LEU  30  -6.193   1.649   3.956
  217    HG   LEU  30           HG       LEU  30  -7.006  -0.411   2.803
  218   HD11  LEU  30          HD11      LEU  30  -4.815   0.499   2.292
  219   HD12  LEU  30          HD12      LEU  30  -4.088  -0.404   3.638
  220   HD13  LEU  30          HD13      LEU  30  -4.755  -1.281   2.234
  221   HD21  LEU  30          HD21      LEU  30  -7.238  -1.772   4.948
  222   HD22  LEU  30          HD22      LEU  30  -6.453  -2.609   3.585
  223   HD23  LEU  30          HD23      LEU  30  -5.473  -1.981   4.918
  224    H    ARG  31           H        ARG  31  -5.660   2.866   7.066
  225    HA   ARG  31           HA       ARG  31  -3.411   4.181   5.736
  226    HB2  ARG  31           HB2      ARG  31  -5.405   5.453   6.388
  227    HB3  ARG  31           HB3      ARG  31  -5.217   4.944   8.064
  228    HG2  ARG  31           HG2      ARG  31  -4.405   7.282   7.659
  229    HG3  ARG  31           HG3      ARG  31  -3.179   6.212   8.341
  230    HD2  ARG  31           HD2      ARG  31  -2.171   5.920   6.089
  231    HD3  ARG  31           HD3      ARG  31  -3.414   6.968   5.396
  232    HE   ARG  31           HE       ARG  31  -1.349   7.808   7.401
  233   HH11  ARG  31          HH11      ARG  31  -3.492   8.627   4.701
  234   HH12  ARG  31          HH12      ARG  31  -2.834  10.241   4.547
  235   HH21  ARG  31          HH21      ARG  31  -0.564   9.856   7.198
  236   HH22  ARG  31          HH22      ARG  31  -1.181  10.957   5.982
  237    H    ARG  32           H        ARG  32  -4.192   3.223   9.169
  238    HA   ARG  32           HA       ARG  32  -1.632   3.906  10.167
  239    HB2  ARG  32           HB2      ARG  32  -2.319   2.943  12.148
  240    HB3  ARG  32           HB3      ARG  32  -3.884   3.269  11.375
  241    HG2  ARG  32           HG2      ARG  32  -3.904   0.942  10.494
  242    HG3  ARG  32           HG3      ARG  32  -2.373   0.610  11.348
  243    HD2  ARG  32           HD2      ARG  32  -4.982   1.436  12.607
  244    HD3  ARG  32           HD3      ARG  32  -4.323  -0.232  12.500
  245    HE   ARG  32           HE       ARG  32  -2.337   1.324  13.727
  246   HH11  ARG  32          HH11      ARG  32  -5.653   0.356  14.449
  247   HH12  ARG  32          HH12      ARG  32  -5.429   0.440  16.183
  248   HH21  ARG  32          HH21      ARG  32  -2.058   1.414  15.988
  249   HH22  ARG  32          HH22      ARG  32  -3.386   1.032  17.049
  250    H    VAL  33           H        VAL  33  -2.795   1.081   8.413
  251    HA   VAL  33           HA       VAL  33  -0.669  -0.665   9.274
  252    HB   VAL  33           HB       VAL  33  -2.839  -0.835   7.146
  253   HG11  VAL  33          HG11      VAL  33  -0.838  -2.974   7.980
  254   HG12  VAL  33          HG12      VAL  33  -2.284  -3.231   6.966
  255   HG13  VAL  33          HG13      VAL  33  -0.962  -2.203   6.382
  256   HG21  VAL  33          HG21      VAL  33  -2.405  -2.293   9.797
  257   HG22  VAL  33          HG22      VAL  33  -3.508  -0.927   9.554
  258   HG23  VAL  33          HG23      VAL  33  -3.805  -2.465   8.709
  259    H    PHE  34           H        PHE  34  -1.323   1.417   6.414
  260    HA   PHE  34           HA       PHE  34   1.196   0.480   5.162
  261    HB2  PHE  34           HB2      PHE  34  -1.323   1.845   4.297
  262    HB3  PHE  34           HB3      PHE  34   0.112   2.169   3.376
  263    HD1  PHE  34           HD1      PHE  34  -2.240  -0.456   4.447
  264    HD2  PHE  34           HD2      PHE  34   1.144   0.428   1.953
  265    HE1  PHE  34           HE1      PHE  34  -2.635  -2.543   3.175
  266    HE2  PHE  34           HE2      PHE  34   0.793  -1.696   0.726
  267    HZ   PHE  34           HZ       PHE  34  -1.090  -3.176   1.314
  268    H    GLU  35           H        GLU  35   0.134   3.042   7.193
  269    HA   GLU  35           HA       GLU  35   1.876   5.098   6.120
  270    HB2  GLU  35           HB2      GLU  35  -0.099   5.656   7.422
  271    HB3  GLU  35           HB3      GLU  35   0.498   4.712   8.805
  272    HG2  GLU  35           HG2      GLU  35   2.273   6.245   9.205
  273    HG3  GLU  35           HG3      GLU  35   1.990   7.088   7.660
  274    H    LYS  36           H        LYS  36   2.337   2.313   8.224
  275    HA   LYS  36           HA       LYS  36   4.580   3.344   9.675
  276    HB2  LYS  36           HB2      LYS  36   4.917   1.061  10.384
  277    HB3  LYS  36           HB3      LYS  36   3.177   1.428  10.392
  278    HG2  LYS  36           HG2      LYS  36   2.961   0.273   8.189
  279    HG3  LYS  36           HG3      LYS  36   4.688  -0.145   8.260
  280    HD2  LYS  36           HD2      LYS  36   4.318  -1.360  10.380
  281    HD3  LYS  36           HD3      LYS  36   2.589  -0.938  10.321
  282    HE2  LYS  36           HE2      LYS  36   2.368  -2.157   8.181
  283    HE3  LYS  36           HE3      LYS  36   4.092  -2.556   8.222
  284    HZ1  LYS  36           HZ1      LYS  36   3.700  -3.783  10.244
  285    HZ2  LYS  36           HZ2      LYS  36   2.097  -3.403  10.215
  286    HZ3  LYS  36           HZ3      LYS  36   2.739  -4.355   9.046
  287    H    TYR  37           H        TYR  37   4.256   1.959   6.484
  288    HA   TYR  37           HA       TYR  37   7.051   1.281   6.163
  289    HB2  TYR  37           HB2      TYR  37   4.819   1.736   4.157
  290    HB3  TYR  37           HB3      TYR  37   6.419   1.113   3.756
  291    HD1  TYR  37           HD2      TYR  37   7.137  -1.098   4.455
  292    HD2  TYR  37           HD1      TYR  37   3.212   0.356   5.417
  293    HE1  TYR  37           HE2      TYR  37   6.447  -3.402   5.095
  294    HE2  TYR  37           HE1      TYR  37   2.483  -1.931   5.971
  295    HH   TYR  37           HH       TYR  37   3.129  -4.143   6.207
  296    H    GLY  38           H        GLY  38   5.231   4.270   5.980
  297    HA2  GLY  38           HA2      GLY  38   7.475   5.879   6.042
  298    HA3  GLY  38           HA3      GLY  38   7.152   5.672   4.318
  299    H    ARG  39           H        ARG  39   4.983   6.316   3.489
  300    HA   ARG  39           HA       ARG  39   3.299   8.014   5.165
  301    HB2  ARG  39           HB2      ARG  39   3.726   9.994   3.614
  302    HB3  ARG  39           HB3      ARG  39   5.043   9.626   4.737
  303    HG2  ARG  39           HG2      ARG  39   6.313   8.472   3.005
  304    HG3  ARG  39           HG3      ARG  39   4.964   8.602   1.875
  305    HD2  ARG  39           HD2      ARG  39   6.578  10.269   1.317
  306    HD3  ARG  39           HD3      ARG  39   5.174  11.107   2.009
  307    HE   ARG  39           HE       ARG  39   6.609  10.985   4.203
  308   HH11  ARG  39          HH11      ARG  39   7.873  11.470   0.923
  309   HH12  ARG  39          HH12      ARG  39   9.252  12.389   1.472
  310   HH21  ARG  39          HH21      ARG  39   8.421  12.189   4.874
  311   HH22  ARG  39          HH22      ARG  39   9.559  12.799   3.699
  312    H    VAL  40           H        VAL  40   1.522   8.950   3.851
  313    HA   VAL  40           HA       VAL  40   0.914   7.365   1.407
  314    HB   VAL  40           HB       VAL  40  -0.866   7.718   3.867
  315   HG11  VAL  40          HG11      VAL  40  -1.407   6.365   1.199
  316   HG12  VAL  40          HG12      VAL  40  -2.473   6.296   2.624
  317   HG13  VAL  40          HG13      VAL  40  -2.192   7.839   1.805
  318   HG21  VAL  40          HG21      VAL  40   0.821   5.950   4.187
  319   HG22  VAL  40          HG22      VAL  40  -0.785   5.239   3.963
  320   HG23  VAL  40          HG23      VAL  40   0.382   5.232   2.619
  321    H    GLY  41           H        GLY  41  -0.179   8.565  -0.133
  322    HA2  GLY  41           HA2      GLY  41  -0.219  11.461   0.312
  323    HA3  GLY  41           HA3      GLY  41  -0.588  10.585  -1.196
  324    H    ASP  42           H        ASP  42  -2.580   8.864  -0.402
  325    HA   ASP  42           HA       ASP  42  -4.658  10.228   1.132
  326    HB2  ASP  42           HB2      ASP  42  -4.966   9.646  -1.846
  327    HB3  ASP  42           HB3      ASP  42  -6.290  10.032  -0.744
  328    H    VAL  43           H        VAL  43  -6.366   8.769   1.610
  329    HA   VAL  43           HA       VAL  43  -6.181   5.983   0.630
  330    HB   VAL  43           HB       VAL  43  -5.011   5.671   2.620
  331   HG11  VAL  43          HG11      VAL  43  -5.184   7.913   3.565
  332   HG12  VAL  43          HG12      VAL  43  -6.893   7.623   3.996
  333   HG13  VAL  43          HG13      VAL  43  -5.585   6.700   4.782
  334   HG21  VAL  43          HG21      VAL  43  -7.874   5.374   3.578
  335   HG22  VAL  43          HG22      VAL  43  -7.099   4.247   2.443
  336   HG23  VAL  43          HG23      VAL  43  -6.439   4.452   4.077
  337    H    TYR  44           H        TYR  44  -8.095   5.478  -0.173
  338    HA   TYR  44           HA       TYR  44 -10.516   6.882   0.812
  339    HB2  TYR  44           HB2      TYR  44  -9.449   8.441  -0.671
  340    HB3  TYR  44           HB3      TYR  44  -9.088   7.178  -1.840
  341    HD1  TYR  44           HD2      TYR  44 -12.143   8.652  -0.186
  342    HD2  TYR  44           HD1      TYR  44 -10.258   7.174  -3.756
  343    HE1  TYR  44           HE2      TYR  44 -14.176   9.229  -1.492
  344    HE2  TYR  44           HE1      TYR  44 -12.269   7.751  -5.072
  345    HH   TYR  44           HH       TYR  44 -14.445   8.478  -4.994
  346    H    ILE  45           H        ILE  45 -12.471   6.158  -0.386
  347    HA   ILE  45           HA       ILE  45 -12.248   3.360  -1.368
  348    HB   ILE  45           HB       ILE  45 -14.070   4.326   0.865
  349   HG12  ILE  45          HG12      ILE  45 -11.549   2.693   0.645
  350   HG13  ILE  45          HG13      ILE  45 -11.952   3.984   1.787
  351   HG21  ILE  45          HG21      ILE  45 -13.831   1.572  -0.421
  352   HG22  ILE  45          HG22      ILE  45 -14.861   2.009   0.959
  353   HG23  ILE  45          HG23      ILE  45 -15.204   2.687  -0.641
  354   HD11  ILE  45          HD11      ILE  45 -11.868   1.806   2.902
  355   HD12  ILE  45          HD12      ILE  45 -13.547   2.423   2.920
  356   HD13  ILE  45          HD13      ILE  45 -13.059   1.137   1.785
  357    HA   PRO  46           HA       PRO  46 -14.623   5.734  -4.452
  358    HB2  PRO  46           HB2      PRO  46 -14.082   3.001  -5.642
  359    HB3  PRO  46           HB3      PRO  46 -14.109   4.598  -6.463
  360    HG2  PRO  46           HG2      PRO  46 -11.740   3.516  -5.786
  361    HG3  PRO  46           HG3      PRO  46 -12.058   5.247  -5.393
  362    HD2  PRO  46           HD2      PRO  46 -12.241   2.856  -3.555
  363    HD3  PRO  46           HD3      PRO  46 -11.497   4.461  -3.261
  364    H    ARG  47           H        ARG  47 -16.797   5.606  -4.939
  365    HA   ARG  47           HA       ARG  47 -18.351   3.180  -4.448
  366    HB2  ARG  47           HB2      ARG  47 -19.689   4.117  -2.643
  367    HB3  ARG  47           HB3      ARG  47 -17.983   4.166  -2.157
  368    HG2  ARG  47           HG2      ARG  47 -17.939   6.580  -3.017
  369    HG3  ARG  47           HG3      ARG  47 -19.698   6.465  -3.184
  370    HD2  ARG  47           HD2      ARG  47 -19.747   5.759  -0.723
  371    HD3  ARG  47           HD3      ARG  47 -18.051   6.249  -0.634
  372    HE   ARG  47           HE       ARG  47 -20.368   7.952  -0.631
  373   HH11  ARG  47          HH11      ARG  47 -17.001   7.868  -1.733
  374   HH12  ARG  47          HH12      ARG  47 -16.869   9.619  -1.773
  375   HH21  ARG  47          HH21      ARG  47 -20.140  10.206  -0.702
  376   HH22  ARG  47          HH22      ARG  47 -18.629  10.923  -1.214
  377    H    ASP  48           H        ASP  48 -20.609   3.469  -5.105
  378    HA   ASP  48           HA       ASP  48 -20.987   5.375  -7.232
  379    HB2  ASP  48           HB2      ASP  48 -22.968   3.699  -5.667
  380    HB3  ASP  48           HB3      ASP  48 -23.330   4.577  -7.166
  381    H    ARG  49           H        ARG  49 -21.499   7.432  -7.104
  382    HA   ARG  49           HA       ARG  49 -21.404   8.718  -4.582
  383    HB2  ARG  49           HB2      ARG  49 -21.305  10.731  -5.907
  384    HB3  ARG  49           HB3      ARG  49 -20.378   9.431  -6.703
  385    HG2  ARG  49           HG2      ARG  49 -22.305   9.000  -8.205
  386    HG3  ARG  49           HG3      ARG  49 -23.094  10.464  -7.553
  387    HD2  ARG  49           HD2      ARG  49 -20.289  10.390  -8.725
  388    HD3  ARG  49           HD3      ARG  49 -21.714  10.817  -9.673
  389    HE   ARG  49           HE       ARG  49 -20.346  12.452  -7.673
  390   HH11  ARG  49          HH11      ARG  49 -23.365  11.969  -9.451
  391   HH12  ARG  49          HH12      ARG  49 -23.896  13.620  -9.232
  392   HH21  ARG  49          HH21      ARG  49 -21.070  14.594  -7.389
  393   HH22  ARG  49          HH22      ARG  49 -22.592  15.101  -8.081
  394    H    TYR  50           H        TYR  50 -23.908   7.077  -5.222
  395    HA   TYR  50           HA       TYR  50 -25.818   8.954  -3.973
  396    HB2  TYR  50           HB2      TYR  50 -27.549   8.224  -5.757
  397    HB3  TYR  50           HB3      TYR  50 -26.330   9.416  -6.237
  398    HD1  TYR  50           HD1      TYR  50 -24.497   8.876  -7.681
  399    HD2  TYR  50           HD2      TYR  50 -27.463   5.942  -6.670
  400    HE1  TYR  50           HE1      TYR  50 -23.521   7.363  -9.348
  401    HE2  TYR  50           HE2      TYR  50 -26.520   4.395  -8.348
  402    HH   TYR  50           HH       TYR  50 -23.705   5.299 -10.409
  403    H    THR  51           H        THR  51 -24.535   5.763  -4.317
  404    HA   THR  51           HA       THR  51 -26.766   4.819  -2.585
  405    HB   THR  51           HB       THR  51 -26.297   2.547  -3.231
  406   HG21  THR  51          HG21      THR  51 -26.351   4.249  -5.750
  407   HG22  THR  51          HG22      THR  51 -26.947   2.581  -5.582
  408   HG23  THR  51          HG23      THR  51 -27.789   3.917  -4.752
  409    H    LYS  52           H        LYS  52 -23.419   5.446  -3.000
  410    HA   LYS  52           HA       LYS  52 -21.610   5.381  -1.714
  411    HB2  LYS  52           HB2      LYS  52 -23.562   5.652   0.605
  412    HB3  LYS  52           HB3      LYS  52 -21.894   6.219   0.531
  413    HG2  LYS  52           HG2      LYS  52 -22.759   8.203  -0.106
  414    HG3  LYS  52           HG3      LYS  52 -22.981   7.451  -1.689
  415    HD2  LYS  52           HD2      LYS  52 -25.046   8.529  -1.005
  416    HD3  LYS  52           HD3      LYS  52 -25.286   6.787  -1.048
  417    HE2  LYS  52           HE2      LYS  52 -26.339   7.715   0.944
  418    HE3  LYS  52           HE3      LYS  52 -24.977   6.697   1.433
  419    HZ1  LYS  52           HZ1      LYS  52 -24.938   9.636   1.212
  420    HZ2  LYS  52           HZ2      LYS  52 -25.022   8.779   2.616
  421    HZ3  LYS  52           HZ3      LYS  52 -23.671   8.705   1.685
  422    H    GLU  53           H        GLU  53 -22.908   2.663  -2.168
  423    HA   GLU  53           HA       GLU  53 -22.302   1.100   0.173
  424    HB2  GLU  53           HB2      GLU  53 -22.584  -0.795  -1.426
  425    HB3  GLU  53           HB3      GLU  53 -23.942   0.343  -1.440
  426    HG2  GLU  53           HG2      GLU  53 -23.109   1.397  -3.473
  427    HG3  GLU  53           HG3      GLU  53 -21.680   0.335  -3.465
  428    H    SER  54           H        SER  54 -20.816  -0.978  -0.969
  429    HA   SER  54           HA       SER  54 -18.134   0.229  -1.453
  430    HB2  SER  54           HB2      SER  54 -18.421  -0.089   0.989
  431    HB3  SER  54           HB3      SER  54 -18.783  -1.811   0.709
  432    HG   SER  54           HG       SER  54 -16.569  -1.383   1.237
  433    H    ARG  55           H        ARG  55 -16.487  -1.601  -1.840
  434    HA   ARG  55           HA       ARG  55 -17.692  -3.773  -3.469
  435    HB2  ARG  55           HB2      ARG  55 -15.760  -1.659  -4.488
  436    HB3  ARG  55           HB3      ARG  55 -16.227  -3.128  -5.378
  437    HG2  ARG  55           HG2      ARG  55 -18.613  -2.435  -5.245
  438    HG3  ARG  55           HG3      ARG  55 -18.123  -0.929  -4.445
  439    HD2  ARG  55           HD2      ARG  55 -16.800  -0.275  -6.393
  440    HD3  ARG  55           HD3      ARG  55 -17.225  -1.788  -7.214
  441    HE   ARG  55           HE       ARG  55 -18.947   0.567  -6.784
  442   HH11  ARG  55          HH11      ARG  55 -18.775  -2.833  -7.739
  443   HH12  ARG  55          HH12      ARG  55 -20.333  -2.802  -8.534
  444   HH21  ARG  55          HH21      ARG  55 -20.967   0.567  -7.782
  445   HH22  ARG  55          HH22      ARG  55 -21.552  -0.871  -8.597
  446    H    GLY  56           H        GLY  56 -15.660  -3.127  -1.001
  447    HA2  GLY  56           HA2      GLY  56 -14.468  -4.845   0.046
  448    HA3  GLY  56           HA3      GLY  56 -14.334  -5.719  -1.491
  449    H    PHE  57           H        PHE  57 -13.418  -2.295  -1.445
  450    HA   PHE  57           HA       PHE  57 -10.601  -2.916  -0.880
  451    HB2  PHE  57           HB2      PHE  57  -9.774  -2.230  -3.012
  452    HB3  PHE  57           HB3      PHE  57 -10.859  -3.589  -3.235
  453    HD1  PHE  57           HD1      PHE  57 -13.065  -3.265  -4.361
  454    HD2  PHE  57           HD2      PHE  57 -10.284  -0.022  -3.859
  455    HE1  PHE  57           HE1      PHE  57 -14.189  -2.014  -6.186
  456    HE2  PHE  57           HE2      PHE  57 -11.438   1.245  -5.654
  457    HZ   PHE  57           HZ       PHE  57 -13.387   0.241  -6.821
  458    H    ALA  58           H        ALA  58  -9.246  -1.004  -0.998
  459    HA   ALA  58           HA       ALA  58 -10.635   1.592  -0.816
  460    HB1  ALA  58           HB1      ALA  58  -9.453   2.141   1.288
  461    HB2  ALA  58           HB2      ALA  58 -10.460   0.706   1.539
  462    HB3  ALA  58           HB3      ALA  58  -8.706   0.542   1.321
  463    H    PHE  59           H        PHE  59  -9.711   2.460  -2.577
  464    HA   PHE  59           HA       PHE  59  -7.073   1.763  -3.487
  465    HB2  PHE  59           HB2      PHE  59  -8.777   2.386  -5.079
  466    HB3  PHE  59           HB3      PHE  59  -9.090   3.910  -4.253
  467    HD1  PHE  59           HD1      PHE  59  -7.689   5.824  -4.511
  468    HD2  PHE  59           HD2      PHE  59  -6.837   2.194  -6.694
  469    HE1  PHE  59           HE1      PHE  59  -6.102   7.041  -5.952
  470    HE2  PHE  59           HE2      PHE  59  -5.146   3.391  -7.999
  471    HZ   PHE  59           HZ       PHE  59  -4.710   5.778  -7.615
  472    H    VAL  60           H        VAL  60  -5.482   2.169  -2.034
  473    HA   VAL  60           HA       VAL  60  -5.239   4.917  -0.926
  474    HB   VAL  60           HB       VAL  60  -3.521   2.422  -0.582
  475   HG11  VAL  60          HG11      VAL  60  -3.401   5.109   0.828
  476   HG12  VAL  60          HG12      VAL  60  -2.510   3.653   1.319
  477   HG13  VAL  60          HG13      VAL  60  -2.149   4.414  -0.235
  478   HG21  VAL  60          HG21      VAL  60  -5.562   3.818   1.201
  479   HG22  VAL  60          HG22      VAL  60  -5.738   2.200   0.486
  480   HG23  VAL  60          HG23      VAL  60  -4.503   2.493   1.740
  481    H    ARG  61           H        ARG  61  -3.344   6.199  -1.380
  482    HA   ARG  61           HA       ARG  61  -1.820   5.355  -3.784
  483    HB2  ARG  61           HB2      ARG  61  -2.275   7.229  -4.978
  484    HB3  ARG  61           HB3      ARG  61  -3.820   7.077  -4.154
  485    HG2  ARG  61           HG2      ARG  61  -3.058   8.728  -2.446
  486    HG3  ARG  61           HG3      ARG  61  -1.511   8.892  -3.317
  487    HD2  ARG  61           HD2      ARG  61  -4.280   9.539  -4.387
  488    HD3  ARG  61           HD3      ARG  61  -3.022  10.705  -3.974
  489    HE   ARG  61           HE       ARG  61  -1.630   9.565  -5.796
  490   HH11  ARG  61          HH11      ARG  61  -5.160   9.751  -5.886
  491   HH12  ARG  61          HH12      ARG  61  -5.237   9.531  -7.619
  492   HH21  ARG  61          HH21      ARG  61  -1.775   9.296  -8.070
  493   HH22  ARG  61          HH22      ARG  61  -3.351   9.262  -8.831
  494    H    PHE  62           H        PHE  62   0.400   5.894  -3.712
  495    HA   PHE  62           HA       PHE  62   1.357   7.243  -1.202
  496    HB2  PHE  62           HB2      PHE  62   2.326   4.895  -2.815
  497    HB3  PHE  62           HB3      PHE  62   3.471   5.848  -1.879
  498    HD1  PHE  62           HD1      PHE  62   0.122   4.206  -1.237
  499    HD2  PHE  62           HD2      PHE  62   4.132   4.996   0.079
  500    HE1  PHE  62           HE1      PHE  62  -0.260   2.807   0.787
  501    HE2  PHE  62           HE2      PHE  62   3.791   3.510   2.036
  502    HZ   PHE  62           HZ       PHE  62   1.645   2.381   2.370
  503    H    HIS  63           H        HIS  63   2.997   8.705  -1.377
  504    HA   HIS  63           HA       HIS  63   3.308   9.912  -4.019
  505    HB2  HIS  63           HB2      HIS  63   4.955  11.242  -2.127
  506    HB3  HIS  63           HB3      HIS  63   3.438  11.776  -2.817
  507    HD2  HIS  63           HD2      HIS  63   4.063   9.154   0.124
  508    HE1  HIS  63           HE1      HIS  63   1.529  12.260   1.521
  509    HE2  HIS  63           HE2      HIS  63   2.657  10.068   2.108
  510    H    ASP  64           H        ASP  64   5.335   8.034  -1.791
  511    HA   ASP  64           HA       ASP  64   7.729   8.799  -3.404
  512    HB2  ASP  64           HB2      ASP  64   7.219   8.175  -0.521
  513    HB3  ASP  64           HB3      ASP  64   8.803   7.784  -1.227
  514    H    LYS  65           H        LYS  65   8.805   7.361  -4.495
  515    HA   LYS  65           HA       LYS  65   7.733   4.784  -5.002
  516    HB2  LYS  65           HB2      LYS  65   9.009   5.980  -6.665
  517    HB3  LYS  65           HB3      LYS  65  10.386   6.126  -5.588
  518    HG2  LYS  65           HG2      LYS  65  10.780   4.414  -7.306
  519    HG3  LYS  65           HG3      LYS  65  10.785   3.703  -5.689
  520    HD2  LYS  65           HD2      LYS  65   9.558   2.273  -7.275
  521    HD3  LYS  65           HD3      LYS  65   8.481   2.882  -6.010
  522    HE2  LYS  65           HE2      LYS  65   7.376   3.021  -8.169
  523    HE3  LYS  65           HE3      LYS  65   7.672   4.650  -7.557
  524    HZ1  LYS  65           HZ1      LYS  65   9.602   4.765  -9.002
  525    HZ2  LYS  65           HZ2      LYS  65   9.316   3.247  -9.565
  526    HZ3  LYS  65           HZ3      LYS  65   8.244   4.453  -9.875
  527    H    ARG  66           H        ARG  66  10.532   5.784  -2.941
  528    HA   ARG  66           HA       ARG  66  11.477   3.142  -2.560
  529    HB2  ARG  66           HB2      ARG  66  12.719   4.007  -0.674
  530    HB3  ARG  66           HB3      ARG  66  12.884   5.023  -2.096
  531    HG2  ARG  66           HG2      ARG  66  10.875   5.681   0.086
  532    HG3  ARG  66           HG3      ARG  66  12.579   6.127   0.236
  533    HD2  ARG  66           HD2      ARG  66  10.714   7.058  -1.985
  534    HD3  ARG  66           HD3      ARG  66  11.313   8.011  -0.622
  535    HE   ARG  66           HE       ARG  66  13.486   6.852  -2.128
  536   HH11  ARG  66          HH11      ARG  66  11.163   9.537  -2.137
  537   HH12  ARG  66          HH12      ARG  66  12.182  10.544  -3.127
  538   HH21  ARG  66          HH21      ARG  66  14.787   8.213  -3.399
  539   HH22  ARG  66          HH22      ARG  66  14.225   9.812  -3.822
  540    H    ASP  67           H        ASP  67   8.885   4.865  -0.794
  541    HA   ASP  67           HA       ASP  67   8.774   2.542   1.059
  542    HB2  ASP  67           HB2      ASP  67   7.085   4.008   2.277
  543    HB3  ASP  67           HB3      ASP  67   8.782   4.517   2.280
  544    H    ALA  68           H        ALA  68   7.375   3.656  -1.829
  545    HA   ALA  68           HA       ALA  68   4.795   2.337  -1.543
  546    HB1  ALA  68           HB1      ALA  68   6.495   3.450  -3.805
  547    HB2  ALA  68           HB2      ALA  68   4.963   2.640  -4.114
  548    HB3  ALA  68           HB3      ALA  68   4.981   4.126  -3.129
  549    H    GLU  69           H        GLU  69   8.016   1.617  -3.033
  550    HA   GLU  69           HA       GLU  69   7.099  -0.994  -3.882
  551    HB2  GLU  69           HB2      GLU  69   9.388  -1.377  -4.599
  552    HB3  GLU  69           HB3      GLU  69   8.836   0.208  -5.148
  553    HG2  GLU  69           HG2      GLU  69  10.143   1.333  -3.437
  554    HG3  GLU  69           HG3      GLU  69  10.444  -0.176  -2.596
  555    H    ASP  70           H        ASP  70   8.739   0.270  -0.951
  556    HA   ASP  70           HA       ASP  70   9.505  -2.341  -0.040
  557    HB2  ASP  70           HB2      ASP  70  10.412  -0.180   0.818
  558    HB3  ASP  70           HB3      ASP  70   8.838   0.164   1.560
  559    H    ALA  71           H        ALA  71   6.520  -0.359   0.381
  560    HA   ALA  71           HA       ALA  71   5.323  -2.116   2.274
  561    HB1  ALA  71           HB1      ALA  71   4.584   0.211   1.872
  562    HB2  ALA  71           HB2      ALA  71   4.035  -0.238   0.245
  563    HB3  ALA  71           HB3      ALA  71   3.232  -0.926   1.675
  564    H    MET  72           H        MET  72   5.413  -2.207  -1.317
  565    HA   MET  72           HA       MET  72   3.370  -4.284  -1.361
  566    HB2  MET  72           HB2      MET  72   3.466  -4.203  -3.616
  567    HB3  MET  72           HB3      MET  72   4.090  -2.586  -3.232
  568    HG2  MET  72           HG2      MET  72   6.389  -3.393  -3.596
  569    HG3  MET  72           HG3      MET  72   5.782  -5.034  -3.877
  570    HE1  MET  72           HE1      MET  72   4.841  -1.451  -4.885
  571    HE2  MET  72           HE2      MET  72   6.484  -1.529  -5.573
  572    HE3  MET  72           HE3      MET  72   5.079  -1.433  -6.655
  573    H    ASP  73           H        ASP  73   6.909  -4.100  -1.490
  574    HA   ASP  73           HA       ASP  73   7.287  -6.944  -1.845
  575    HB2  ASP  73           HB2      ASP  73   8.852  -5.147  -2.648
  576    HB3  ASP  73           HB3      ASP  73   9.256  -4.796  -0.962
  577    H    ALA  74           H        ALA  74   6.087  -5.329   0.832
  578    HA   ALA  74           HA       ALA  74   7.427  -7.265   2.651
  579    HB1  ALA  74           HB1      ALA  74   6.636  -4.401   3.206
  580    HB2  ALA  74           HB2      ALA  74   7.377  -5.520   4.381
  581    HB3  ALA  74           HB3      ALA  74   8.305  -4.981   2.960
  582    H    MET  75           H        MET  75   4.403  -6.181   1.383
  583    HA   MET  75           HA       MET  75   3.103  -7.633   3.631
  584    HB2  MET  75           HB2      MET  75   3.216  -4.982   3.756
  585    HB3  MET  75           HB3      MET  75   1.813  -5.118   2.668
  586    HG2  MET  75           HG2      MET  75   0.645  -6.510   4.269
  587    HG3  MET  75           HG3      MET  75   2.101  -6.670   5.261
  588    HE1  MET  75           HE1      MET  75   0.250  -2.466   4.784
  589    HE2  MET  75           HE2      MET  75   1.477  -3.195   3.737
  590    HE3  MET  75           HE3      MET  75  -0.188  -3.831   3.717
  591    H    ASP  76           H        ASP  76   2.949  -6.778   0.165
  592    HA   ASP  76           HA       ASP  76   0.236  -7.583  -0.137
  593    HB2  ASP  76           HB2      ASP  76   0.936  -6.637  -2.085
  594    HB3  ASP  76           HB3      ASP  76   2.591  -7.233  -1.929
  595    H    GLY  77           H        GLY  77  -0.753  -9.457  -0.262
  596    HA2  GLY  77           HA2      GLY  77  -1.124 -11.738  -0.392
  597    HA3  GLY  77           HA3      GLY  77   0.564 -11.952  -0.875
  598    H    ALA  78           H        ALA  78   0.348 -10.197   2.075
  599    HA   ALA  78           HA       ALA  78   1.394 -12.522   3.500
  600    HB1  ALA  78           HB1      ALA  78   0.950  -9.632   4.413
  601    HB2  ALA  78           HB2      ALA  78   1.902 -10.861   5.274
  602    HB3  ALA  78           HB3      ALA  78   2.453 -10.258   3.695
  603    H    VAL  79           H        VAL  79  -1.359 -12.634   2.672
  604    HA   VAL  79           HA       VAL  79  -3.186 -11.921   4.691
  605    HB   VAL  79           HB       VAL  79  -4.691 -13.028   3.234
  606   HG11  VAL  79          HG11      VAL  79  -2.467 -11.911   1.472
  607   HG12  VAL  79          HG12      VAL  79  -4.181 -12.046   1.068
  608   HG13  VAL  79          HG13      VAL  79  -3.680 -10.946   2.360
  609   HG21  VAL  79          HG21      VAL  79  -3.600 -15.189   2.937
  610   HG22  VAL  79          HG22      VAL  79  -3.977 -14.481   1.354
  611   HG23  VAL  79          HG23      VAL  79  -2.313 -14.432   1.969
  612    H    LEU  80           H        LEU  80  -4.800 -13.649   5.449
  613    HA   LEU  80           HA       LEU  80  -3.492 -16.160   6.255
  614    HB2  LEU  80           HB2      LEU  80  -3.593 -15.887   8.555
  615    HB3  LEU  80           HB3      LEU  80  -2.953 -14.346   7.986
  616    HG   LEU  80           HG       LEU  80  -5.811 -14.926   8.892
  617   HD11  LEU  80          HD11      LEU  80  -3.592 -13.188  10.046
  618   HD12  LEU  80          HD12      LEU  80  -5.222 -13.386  10.717
  619   HD13  LEU  80          HD13      LEU  80  -4.118 -14.773  10.681
  620   HD21  LEU  80          HD21      LEU  80  -6.134 -12.463   8.679
  621   HD22  LEU  80          HD22      LEU  80  -4.559 -12.348   7.866
  622   HD23  LEU  80          HD23      LEU  80  -5.906 -13.257   7.116
  623    H    ASP  81           H        ASP  81  -5.985 -14.848   4.819
  624    HA   ASP  81           HA       ASP  81  -7.898 -16.891   5.799
  625    HB2  ASP  81           HB2      ASP  81  -8.394 -14.714   6.895
  626    HB3  ASP  81           HB3      ASP  81  -8.538 -13.957   5.299
  627    H    GLY  82           H        GLY  82  -6.061 -15.951   3.343
  628    HA2  GLY  82           HA2      GLY  82  -6.313 -16.829   1.126
  629    HA3  GLY  82           HA3      GLY  82  -8.070 -16.595   1.256
  630    H    ARG  83           H        ARG  83  -7.342 -13.886   2.663
  631    HA   ARG  83           HA       ARG  83  -6.136 -12.271   0.584
  632    HB2  ARG  83           HB2      ARG  83  -8.023 -12.181  -0.614
  633    HB3  ARG  83           HB3      ARG  83  -9.084 -12.642   0.721
  634    HG2  ARG  83           HG2      ARG  83  -7.819  -9.889   0.658
  635    HG3  ARG  83           HG3      ARG  83  -9.208 -10.258  -0.379
  636    HD2  ARG  83           HD2      ARG  83  -9.128 -10.385   2.654
  637    HD3  ARG  83           HD3      ARG  83  -9.974  -9.215   1.643
  638    HE   ARG  83           HE       ARG  83 -11.540 -10.898   0.969
  639   HH11  ARG  83          HH11      ARG  83  -9.306 -11.996   3.497
  640   HH12  ARG  83          HH12      ARG  83 -10.338 -13.324   3.975
  641   HH21  ARG  83          HH21      ARG  83 -12.843 -12.653   1.636
  642   HH22  ARG  83          HH22      ARG  83 -12.299 -13.696   2.930
  643    H    GLU  84           H        GLU  84  -5.289 -10.533   1.497
  644    HA   GLU  84           HA       GLU  84  -6.639  -9.214   3.680
  645    HB2  GLU  84           HB2      GLU  84  -3.774 -10.132   4.111
  646    HB3  GLU  84           HB3      GLU  84  -4.550  -8.857   5.009
  647    HG2  GLU  84           HG2      GLU  84  -5.587 -11.710   4.915
  648    HG3  GLU  84           HG3      GLU  84  -4.612 -10.998   6.205
  649    H    LEU  85           H        LEU  85  -3.781  -9.341   1.470
  650    HA   LEU  85           HA       LEU  85  -4.143  -6.436   0.923
  651    HB2  LEU  85           HB2      LEU  85  -1.495  -7.914   1.317
  652    HB3  LEU  85           HB3      LEU  85  -1.656  -6.299   0.659
  653    HG   LEU  85           HG       LEU  85  -0.856  -6.007   2.774
  654   HD11  LEU  85          HD11      LEU  85  -3.848  -5.556   3.066
  655   HD12  LEU  85          HD12      LEU  85  -2.539  -4.710   3.922
  656   HD13  LEU  85          HD13      LEU  85  -2.734  -4.513   2.159
  657   HD21  LEU  85          HD21      LEU  85  -3.033  -7.785   3.906
  658   HD22  LEU  85          HD22      LEU  85  -1.340  -8.267   3.604
  659   HD23  LEU  85          HD23      LEU  85  -1.715  -6.996   4.803
  660    H    ARG  86           H        ARG  86  -3.652  -5.772  -1.081
  661    HA   ARG  86           HA       ARG  86  -2.050  -7.345  -2.942
  662    HB2  ARG  86           HB2      ARG  86  -4.944  -6.581  -3.551
  663    HB3  ARG  86           HB3      ARG  86  -3.719  -6.843  -4.802
  664    HG2  ARG  86           HG2      ARG  86  -4.663  -8.903  -2.788
  665    HG3  ARG  86           HG3      ARG  86  -5.035  -8.858  -4.521
  666    HD2  ARG  86           HD2      ARG  86  -2.577  -9.062  -5.004
  667    HD3  ARG  86           HD3      ARG  86  -2.284  -9.209  -3.249
  668    HE   ARG  86           HE       ARG  86  -4.191 -11.136  -4.296
  669   HH11  ARG  86          HH11      ARG  86  -0.795 -10.427  -3.623
  670   HH12  ARG  86          HH12      ARG  86  -0.317 -12.106  -3.609
  671   HH21  ARG  86          HH21      ARG  86  -3.549 -13.323  -4.252
  672   HH22  ARG  86          HH22      ARG  86  -1.885 -13.752  -3.932
  673    H    VAL  87           H        VAL  87  -0.549  -5.880  -3.389
  674    HA   VAL  87           HA       VAL  87  -1.387  -3.084  -3.939
  675    HB   VAL  87           HB       VAL  87  -0.824  -2.822  -1.705
  676   HG11  VAL  87          HG11      VAL  87   1.520  -4.683  -2.110
  677   HG12  VAL  87          HG12      VAL  87   1.188  -3.750  -0.627
  678   HG13  VAL  87          HG13      VAL  87   0.042  -4.997  -1.153
  679   HG21  VAL  87          HG21      VAL  87   0.460  -1.256  -3.155
  680   HG22  VAL  87          HG22      VAL  87   1.309  -1.631  -1.639
  681   HG23  VAL  87          HG23      VAL  87   1.816  -2.401  -3.158
  682    H    GLN  88           H        GLN  88  -0.451  -2.163  -5.546
  683    HA   GLN  88           HA       GLN  88   2.191  -2.687  -6.549
  684    HB2  GLN  88           HB2      GLN  88   1.547  -3.646  -8.705
  685    HB3  GLN  88           HB3      GLN  88   1.073  -4.748  -7.410
  686    HG2  GLN  88           HG2      GLN  88  -1.257  -3.953  -7.550
  687    HG3  GLN  88           HG3      GLN  88  -0.797  -2.769  -8.788
  688   HE21  GLN  88          HE22      GLN  88  -0.869  -3.379 -10.910
  689   HE22  GLN  88          HE21      GLN  88  -1.050  -5.031 -11.457
  690    H    MET  89           H        MET  89   2.564  -1.409  -8.523
  691    HA   MET  89           HA       MET  89   1.774   1.241  -8.054
  692    HB2  MET  89           HB2      MET  89   3.005  -0.136 -10.459
  693    HB3  MET  89           HB3      MET  89   2.985   1.630 -10.216
  694    HG2  MET  89           HG2      MET  89   4.025  -0.227  -8.062
  695    HG3  MET  89           HG3      MET  89   5.062   0.208  -9.401
  696    HE1  MET  89           HE1      MET  89   6.633   0.931  -7.296
  697    HE2  MET  89           HE2      MET  89   6.237   2.266  -6.178
  698    HE3  MET  89           HE3      MET  89   5.326   0.746  -6.098
  699    H    ALA  90           H        ALA  90   0.248   2.585  -8.914
  700    HA   ALA  90           HA       ALA  90  -2.113   1.543 -10.174
  701    HB1  ALA  90           HB1      ALA  90  -2.780   3.835 -10.376
  702    HB2  ALA  90           HB2      ALA  90  -2.067   3.560  -8.781
  703    HB3  ALA  90           HB3      ALA  90  -1.116   4.401 -10.022
  704    H    ARG  91           H        ARG  91  -2.788   1.635 -12.317
  705    HA   ARG  91           HA       ARG  91  -0.904   2.684 -14.384
  706    HB2  ARG  91           HB2      ARG  91  -2.533   0.118 -14.463
  707    HB3  ARG  91           HB3      ARG  91  -1.694   0.797 -15.849
  708    HG2  ARG  91           HG2      ARG  91  -0.258  -0.025 -13.293
  709    HG3  ARG  91           HG3      ARG  91  -0.527  -1.097 -14.673
  710    HD2  ARG  91           HD2      ARG  91   1.665  -0.253 -14.954
  711    HD3  ARG  91           HD3      ARG  91   0.649   0.592 -16.137
  712    HE   ARG  91           HE       ARG  91   0.923   2.021 -13.617
  713   HH11  ARG  91          HH11      ARG  91   2.488   1.423 -16.734
  714   HH12  ARG  91          HH12      ARG  91   3.396   2.914 -16.695
  715   HH21  ARG  91          HH21      ARG  91   2.095   3.957 -13.598
  716   HH22  ARG  91          HH22      ARG  91   3.169   4.352 -14.921
  717    H    TYR  92           H        TYR  92  -3.380   3.499 -12.793
  718    HA   TYR  92           HA       TYR  92  -4.929   4.622 -15.025
  719    HB2  TYR  92           HB2      TYR  92  -6.091   2.557 -14.585
  720    HB3  TYR  92           HB3      TYR  92  -5.972   2.802 -12.843
  721    HD1  TYR  92           HD2      TYR  92  -7.159   5.138 -15.576
  722    HD2  TYR  92           HD1      TYR  92  -8.063   2.914 -12.013
  723    HE1  TYR  92           HE2      TYR  92  -9.411   6.191 -15.481
  724    HE2  TYR  92           HE1      TYR  92 -10.307   3.930 -11.911
  725    HH   TYR  92           HH       TYR  92 -11.773   5.413 -12.905
  726    H    GLY  93           H        GLY  93  -5.845   6.642 -14.385
  727    HA2  GLY  93           HA2      GLY  93  -4.700   7.661 -11.816
  728    HA3  GLY  93           HA3      GLY  93  -4.744   8.573 -13.325
  729    H    ARG  94           H        ARG  94  -5.727  10.040 -11.532
  730    HA   ARG  94           HA       ARG  94  -8.294   9.662 -10.500
  731    HB2  ARG  94           HB2      ARG  94  -6.599  11.470  -9.977
  732    HB3  ARG  94           HB3      ARG  94  -7.131  12.315 -11.441
  733    HG2  ARG  94           HG2      ARG  94  -9.439  12.422 -10.525
  734    HG3  ARG  94           HG3      ARG  94  -8.916  11.492  -9.105
  735    HD2  ARG  94           HD2      ARG  94  -7.279  13.304  -8.563
  736    HD3  ARG  94           HD3      ARG  94  -7.940  14.254  -9.911
  737    HE   ARG  94           HE       ARG  94  -9.193  13.701  -7.301
  738   HH11  ARG  94          HH11      ARG  94  -9.658  14.939 -10.592
  739   HH12  ARG  94          HH12      ARG  94 -11.111  15.816 -10.167
  740   HH21  ARG  94          HH21      ARG  94 -11.065  14.815  -6.799
  741   HH22  ARG  94          HH22      ARG  94 -11.906  15.753  -8.018
  742    HA   PRO  95           HA       PRO  95 -10.605   9.337 -14.144
  743    HB2  PRO  95           HB2      PRO  95 -13.161   9.653 -13.230
  744    HB3  PRO  95           HB3      PRO  95 -12.148   8.222 -12.878
  745    HG2  PRO  95           HG2      PRO  95 -12.609  10.656 -11.125
  746    HG3  PRO  95           HG3      PRO  95 -12.669   8.936 -10.642
  747    HD2  PRO  95           HD2      PRO  95 -10.450  10.438 -10.233
  748    HD3  PRO  95           HD3      PRO  95 -10.319   8.721 -10.720
  749    HA   PRO  96           HA       PRO  96 -11.298  13.484 -15.663
  750    HB2  PRO  96           HB2      PRO  96 -12.234  12.900 -18.142
  751    HB3  PRO  96           HB3      PRO  96 -10.538  12.525 -17.668
  752    HG2  PRO  96           HG2      PRO  96 -12.944  10.672 -17.684
  753    HG3  PRO  96           HG3      PRO  96 -11.308  10.371 -18.377
  754    HD2  PRO  96           HD2      PRO  96 -12.039   9.465 -15.904
  755    HD3  PRO  96           HD3      PRO  96 -10.369  10.010 -16.261
  756    H    ASP  97           H        ASP  97 -13.789  11.046 -15.446
  757    HA   ASP  97           HA       ASP  97 -15.848  13.100 -14.948
  758    HB2  ASP  97           HB2      ASP  97 -15.987  12.494 -17.380
  759    HB3  ASP  97           HB3      ASP  97 -16.230  10.796 -16.900
  760    H    SER  98           H        SER  98 -17.847  11.940 -13.939
  761    HA   SER  98           HA       SER  98 -16.753  10.645 -11.709
  762    HB2  SER  98           HB2      SER  98 -19.078  10.337 -10.965
  763    HB3  SER  98           HB3      SER  98 -18.801  11.967 -11.622
  764    HG   SER  98           HG       SER  98 -20.722  11.038 -12.453
  765    H    HIS  99           H        HIS  99 -18.077   9.182 -14.667
  766    HA   HIS  99           HA       HIS  99 -16.964   6.632 -13.874
  767    HB2  HIS  99           HB2      HIS  99 -19.102   6.690 -12.568
  768    HB3  HIS  99           HB3      HIS  99 -19.994   6.839 -14.086
  769    HD2  HIS  99           HD2      HIS  99 -17.388   4.370 -12.501
  770    HE1  HIS  99           HE1      HIS  99 -20.149   2.074 -14.786
  771    HE2  HIS  99           HE2      HIS  99 -18.130   1.966 -13.242
  772    H    HIS 100           H        HIS 100 -17.646   4.907 -15.603
  773    HA   HIS 100           HA       HIS 100 -16.925   5.891 -18.159
  774    HB2  HIS 100           HB2      HIS 100 -16.544   3.591 -17.315
  775    HB3  HIS 100           HB3      HIS 100 -18.278   3.290 -17.378
  776    HD2  HIS 100           HD2      HIS 100 -15.443   4.365 -19.858
  777    HE1  HIS 100           HE1      HIS 100 -18.180   1.922 -22.010
  778    HE2  HIS 100           HE2      HIS 100 -15.981   3.210 -22.143
  779    H    SER 101           H        SER 101 -18.196   5.687 -20.184
  780    HA   SER 101           HA       SER 101 -21.114   5.805 -19.983
  781    HB2  SER 101           HB2      SER 101 -20.427   8.126 -19.454
  782    HB3  SER 101           HB3      SER 101 -19.490   8.185 -20.965
  783    HG   SER 101           HG       SER 101 -21.595   9.070 -21.184
  784    H5'    U 102           H5'        U 102 -12.895  -1.752 -13.510
  785   H5''    U 102          H5''        U 102 -12.774  -3.522 -13.460
  786    H4'    U 102           H4'        U 102 -11.793  -2.629 -11.461
  787    H3'    U 102           H3'        U 102 -13.741  -4.588 -11.380
  788    H2'    U 102           H2'        U 102 -15.532  -3.086 -10.974
  789   HO2'    U 102          HO2'        U 102 -15.448  -4.627  -9.241
  790    H1'    U 102           H1'        U 102 -13.744  -1.650  -8.983
  791    H3     U 102           H3         U 102 -15.729   2.587  -9.552
  792    H5     U 102           H5         U 102 -18.689  -0.331 -10.150
  793    H6     U 102           H6         U 102 -16.967  -2.005 -10.172
  794   HO5'    U 102          HO5'        U 102 -14.845  -2.794 -14.129
  795    H5'    G 103           H5'        G 103  -9.437  -3.439  -7.916
  796   H5''    G 103          H5''        G 103 -11.028  -2.666  -8.077
  797    H4'    G 103           H4'        G 103  -9.502  -0.918  -7.774
  798    H3'    G 103           H3'        G 103 -10.836  -1.177 -10.337
  799    H2'    G 103           H2'        G 103  -8.823  -1.262 -11.453
  800   HO2'    G 103          HO2'        G 103  -9.052   1.520 -10.950
  801    H1'    G 103           H1'        G 103  -7.808   0.465  -9.157
  802    H8     G 103           H8         G 103  -5.969   1.725 -10.299
  803    H1     G 103           H1         G 103  -3.453  -3.703 -12.656
  804    H21    G 103           H21        G 103  -4.889  -5.387 -12.351
  805    H22    G 103           H22        G 103  -6.433  -5.139 -11.562
  806    H5'    G 104           H5'        G 104 -11.828   3.721  -9.890
  807   H5''    G 104          H5''        G 104 -10.112   4.202  -9.690
  808    H4'    G 104           H4'        G 104 -12.414   5.032  -7.886
  809    H3'    G 104           H3'        G 104 -10.479   6.567  -9.654
  810    H2'    G 104           H2'        G 104 -11.176   8.467  -8.316
  811   HO2'    G 104          HO2'        G 104 -13.259   6.748  -7.692
  812    H1'    G 104           H1'        G 104 -10.691   7.079  -6.085
  813    H8     G 104           H8         G 104  -9.132   9.178  -6.201
  814    H1     G 104           H1         G 104  -5.270   6.161 -10.353
  815    H21    G 104           H21        G 104  -6.110   4.197 -10.846
  816    H22    G 104           H22        G 104  -7.654   3.664 -10.185
  817    H5'    A 105           H5'        A 105 -13.480   8.952  -8.763
  818   H5''    A 105          H5''        A 105 -14.849   8.123  -8.021
  819    H4'    A 105           H4'        A 105 -14.722  10.756  -9.451
  820    H3'    A 105           H3'        A 105 -14.751  10.026  -6.906
  821    H2'    A 105           H2'        A 105 -16.576   8.541  -6.870
  822   HO2'    A 105          HO2'        A 105 -17.854  11.067  -6.622
  823    H1'    A 105           H1'        A 105 -18.396  10.040  -8.654
  824    H8     A 105           H8         A 105 -16.257   6.903  -8.211
  825    H61    A 105           H61        A 105 -21.097   3.784 -10.538
  826    H62    A 105           H62        A 105 -19.477   3.614  -9.887
  827    H2     A 105           H2         A 105 -22.007   8.105 -10.713
  828    H5'    G 106           H5'        G 106 -13.983  10.943  -5.058
  829   H5''    G 106          H5''        G 106 -15.744  11.090  -4.944
  830    H4'    G 106           H4'        G 106 -15.319  11.031  -2.729
  831    H3'    G 106           H3'        G 106 -15.893  13.612  -3.321
  832    H2'    G 106           H2'        G 106 -13.715  14.285  -3.986
  833   HO2'    G 106          HO2'        G 106 -13.882  14.672  -1.184
  834    H1'    G 106           H1'        G 106 -12.394  12.988  -1.655
  835    H8     G 106           H8         G 106 -12.477  13.138  -5.552
  836    H1     G 106           H1         G 106  -6.670  13.168  -2.805
  837    H21    G 106           H21        G 106  -6.897  13.021  -0.593
  838    H22    G 106           H22        G 106  -8.471  12.921   0.164
  839    H5'    U 107           H5'        U 107 -15.449  15.393  -0.399
  840   H5''    U 107          H5''        U 107 -16.875  16.072   0.401
  841    H4'    U 107           H4'        U 107 -15.457  17.598  -1.147
  842    H3'    U 107           H3'        U 107 -18.005  17.963  -0.434
  843   HO3'    U 107          HO3'        U 107 -18.049  19.748  -1.899
  844    H2'    U 107           H2'        U 107 -18.733  16.270  -1.914
  845   HO2'    U 107          HO2'        U 107 -20.084  18.155  -2.153
  846    H1'    U 107           H1'        U 107 -17.262  17.750  -4.107
  847    H3     U 107           H3         U 107 -17.466  14.757  -7.478
  848    H5     U 107           H5         U 107 -19.337  12.761  -4.289
  849    H6     U 107           H6         U 107 -18.706  14.592  -2.847
  Start of MODEL   11
    1    H    MET   1           H1       MET   1 -17.354  14.188   8.436
    2    HA   MET   1           HA       MET   1 -17.344  16.259   6.352
    3    HB2  MET   1           HB2      MET   1 -15.349  15.679   8.575
    4    HB3  MET   1           HB3      MET   1 -15.112  16.838   7.252
    5    HG2  MET   1           HG2      MET   1 -17.305  16.948   9.357
    6    HG3  MET   1           HG3      MET   1 -15.872  17.976   9.280
    7    HE1  MET   1           HE1      MET   1 -18.774  20.468   8.517
    8    HE2  MET   1           HE2      MET   1 -18.818  19.075   9.621
    9    HE3  MET   1           HE3      MET   1 -17.365  20.100   9.537
   10    H    SER   2           H        SER   2 -15.215  16.127   5.075
   11    HA   SER   2           HA       SER   2 -14.123  13.423   4.764
   12    HB2  SER   2           HB2      SER   2 -16.235  13.375   3.452
   13    HB3  SER   2           HB3      SER   2 -15.649  14.749   2.492
   14    HG   SER   2           HG       SER   2 -15.238  12.651   1.576
   15    H    TYR   3           H        TYR   3 -12.687  13.577   2.592
   16    HA   TYR   3           HA       TYR   3 -10.568  15.348   3.225
   17    HB2  TYR   3           HB2      TYR   3 -11.144  13.801   0.671
   18    HB3  TYR   3           HB3      TYR   3  -9.583  14.459   1.156
   19    HD1  TYR   3           HD2      TYR   3 -12.252  12.038   2.222
   20    HD2  TYR   3           HD1      TYR   3  -8.099  13.145   2.432
   21    HE1  TYR   3           HE2      TYR   3 -11.758   9.942   3.446
   22    HE2  TYR   3           HE1      TYR   3  -7.596  11.024   3.633
   23    HH   TYR   3           HH       TYR   3  -8.456   9.121   4.554
   24    H    GLY   4           H        GLY   4 -13.324  15.668   1.026
   25    HA2  GLY   4           HA2      GLY   4 -14.181  17.566   0.090
   26    HA3  GLY   4           HA3      GLY   4 -12.770  18.507   0.644
   27    H    ARG   5           H        ARG   5 -12.756  15.548  -1.304
   28    HA   ARG   5           HA       ARG   5 -11.541  15.075  -3.179
   29    HB2  ARG   5           HB2      ARG   5 -12.692  15.720  -5.177
   30    HB3  ARG   5           HB3      ARG   5 -13.754  15.204  -3.865
   31    HG2  ARG   5           HG2      ARG   5 -13.964  17.768  -3.347
   32    HG3  ARG   5           HG3      ARG   5 -13.416  17.953  -5.036
   33    HD2  ARG   5           HD2      ARG   5 -15.684  16.228  -3.992
   34    HD3  ARG   5           HD3      ARG   5 -15.910  17.790  -4.815
   35    HE   ARG   5           HE       ARG   5 -15.418  15.177  -6.013
   36   HH11  ARG   5          HH11      ARG   5 -15.024  18.648  -6.533
   37   HH12  ARG   5          HH12      ARG   5 -14.937  18.498  -8.270
   38   HH21  ARG   5          HH21      ARG   5 -15.306  14.991  -8.246
   39   HH22  ARG   5          HH22      ARG   5 -15.111  16.411  -9.246
   40    HA   PRO   6           HA       PRO   6  -9.122  19.128  -3.342
   41    HB2  PRO   6           HB2      PRO   6  -6.893  18.516  -1.909
   42    HB3  PRO   6           HB3      PRO   6  -8.426  18.985  -1.107
   43    HG2  PRO   6           HG2      PRO   6  -7.396  16.174  -1.627
   44    HG3  PRO   6           HG3      PRO   6  -7.995  16.861  -0.081
   45    HD2  PRO   6           HD2      PRO   6  -9.607  15.402  -1.732
   46    HD3  PRO   6           HD3      PRO   6 -10.228  16.817  -0.819
   47    HA   PRO   7           HA       PRO   7  -6.498  17.390  -6.565
   48    HB2  PRO   7           HB2      PRO   7  -5.093  19.600  -7.275
   49    HB3  PRO   7           HB3      PRO   7  -6.855  19.461  -7.582
   50    HG2  PRO   7           HG2      PRO   7  -5.473  20.885  -5.287
   51    HG3  PRO   7           HG3      PRO   7  -6.788  21.496  -6.337
   52    HD2  PRO   7           HD2      PRO   7  -7.216  20.366  -3.860
   53    HD3  PRO   7           HD3      PRO   7  -8.399  20.224  -5.201
   54    HA   PRO   8           HA       PRO   8  -2.814  16.654  -3.985
   55    HB2  PRO   8           HB2      PRO   8  -2.090  14.293  -5.085
   56    HB3  PRO   8           HB3      PRO   8  -3.562  14.411  -4.078
   57    HG2  PRO   8           HG2      PRO   8  -3.382  14.547  -7.105
   58    HG3  PRO   8           HG3      PRO   8  -4.442  13.482  -6.107
   59    HD2  PRO   8           HD2      PRO   8  -5.280  15.886  -7.147
   60    HD3  PRO   8           HD3      PRO   8  -5.849  15.282  -5.555
   61    H    ASP   9           H        ASP   9  -0.537  15.665  -4.997
   62    HA   ASP   9           HA       ASP   9   0.123  17.299  -7.414
   63    HB2  ASP   9           HB2      ASP   9   1.813  16.744  -4.946
   64    HB3  ASP   9           HB3      ASP   9   2.356  17.605  -6.394
   65    H    VAL  10           H        VAL  10  -0.756  14.442  -6.950
   66    HA   VAL  10           HA       VAL  10   1.405  12.653  -7.183
   67    HB   VAL  10           HB       VAL  10  -0.918  12.138  -6.488
   68   HG11  VAL  10          HG11      VAL  10  -1.597  12.194  -9.453
   69   HG12  VAL  10          HG12      VAL  10  -2.669  11.765  -8.097
   70   HG13  VAL  10          HG13      VAL  10  -2.091  13.430  -8.277
   71   HG21  VAL  10          HG21      VAL  10   0.681  10.360  -7.178
   72   HG22  VAL  10          HG22      VAL  10  -1.021   9.933  -7.480
   73   HG23  VAL  10          HG23      VAL  10   0.008  10.433  -8.826
   74    H    GLU  11           H        GLU  11   0.422  14.938  -9.501
   75    HA   GLU  11           HA       GLU  11   0.947  13.466 -11.900
   76    HB2  GLU  11           HB2      GLU  11   1.159  16.441 -11.286
   77    HB3  GLU  11           HB3      GLU  11   1.148  15.719 -12.913
   78    HG2  GLU  11           HG2      GLU  11  -1.069  14.688 -12.400
   79    HG3  GLU  11           HG3      GLU  11  -1.066  15.526 -10.840
   80    H    GLY  12           H        GLY  12   2.986  13.899  -9.390
   81    HA2  GLY  12           HA2      GLY  12   5.378  13.570 -11.064
   82    HA3  GLY  12           HA3      GLY  12   5.378  14.923  -9.906
   83    H    MET  13           H        MET  13   3.670  11.871  -9.250
   84    HA   MET  13           HA       MET  13   5.812  11.131  -7.305
   85    HB2  MET  13           HB2      MET  13   2.833  11.007  -6.760
   86    HB3  MET  13           HB3      MET  13   4.154  10.632  -5.643
   87    HG2  MET  13           HG2      MET  13   4.929  13.053  -5.998
   88    HG3  MET  13           HG3      MET  13   3.358  13.335  -6.743
   89    HE1  MET  13           HE1      MET  13   0.993  12.422  -5.189
   90    HE2  MET  13           HE2      MET  13   1.904  10.993  -4.646
   91    HE3  MET  13           HE3      MET  13   1.157  12.081  -3.455
   92    H    THR  14           H        THR  14   5.551   8.855  -6.490
   93    HA   THR  14           HA       THR  14   5.533   7.109  -8.754
   94    HB   THR  14           HB       THR  14   5.930   6.749  -5.784
   95   HG21  THR  14          HG21      THR  14   4.707   4.712  -6.454
   96   HG22  THR  14          HG22      THR  14   5.796   4.520  -7.856
   97   HG23  THR  14          HG23      THR  14   6.417   4.365  -6.189
   98    H    SER  15           H        SER  15   2.977   8.031  -6.549
   99    HA   SER  15           HA       SER  15   0.875   7.272  -6.239
  100    HB2  SER  15           HB2      SER  15   0.879   8.418  -8.470
  101    HB3  SER  15           HB3      SER  15   1.001   6.828  -9.240
  102    HG   SER  15           HG       SER  15  -0.934   6.253  -8.234
  103    H    LEU  16           H        LEU  16   2.169   5.236  -5.235
  104    HA   LEU  16           HA       LEU  16   1.601   2.690  -6.489
  105    HB2  LEU  16           HB2      LEU  16   3.095   3.186  -4.431
  106    HB3  LEU  16           HB3      LEU  16   1.572   3.224  -3.512
  107    HG   LEU  16           HG       LEU  16   1.095   0.878  -4.360
  108   HD11  LEU  16          HD11      LEU  16   2.958  -0.454  -5.175
  109   HD12  LEU  16          HD12      LEU  16   2.729   0.925  -6.271
  110   HD13  LEU  16          HD13      LEU  16   4.059   0.938  -5.091
  111   HD21  LEU  16          HD21      LEU  16   3.561   1.377  -2.661
  112   HD22  LEU  16          HD22      LEU  16   1.875   1.311  -2.099
  113   HD23  LEU  16          HD23      LEU  16   2.658  -0.152  -2.739
  114    H    LYS  17           H        LYS  17  -0.136   1.168  -5.677
  115    HA   LYS  17           HA       LYS  17  -2.475   2.489  -4.412
  116    HB2  LYS  17           HB2      LYS  17  -3.978   1.221  -5.927
  117    HB3  LYS  17           HB3      LYS  17  -3.094   2.530  -6.725
  118    HG2  LYS  17           HG2      LYS  17  -1.828   1.115  -8.005
  119    HG3  LYS  17           HG3      LYS  17  -1.818  -0.181  -6.784
  120    HD2  LYS  17           HD2      LYS  17  -4.343   0.528  -8.259
  121    HD3  LYS  17           HD3      LYS  17  -3.137  -0.607  -8.925
  122    HE2  LYS  17           HE2      LYS  17  -3.225  -1.932  -6.822
  123    HE3  LYS  17           HE3      LYS  17  -4.464  -0.844  -6.193
  124    HZ1  LYS  17           HZ1      LYS  17  -5.413  -2.825  -7.122
  125    HZ2  LYS  17           HZ2      LYS  17  -5.902  -1.526  -7.984
  126    HZ3  LYS  17           HZ3      LYS  17  -4.749  -2.522  -8.604
  127    H    VAL  18           H        VAL  18  -3.721   1.192  -3.135
  128    HA   VAL  18           HA       VAL  18  -2.871  -1.663  -2.766
  129    HB   VAL  18           HB       VAL  18  -3.707   0.338  -0.629
  130   HG11  VAL  18          HG11      VAL  18  -3.107  -2.632  -0.472
  131   HG12  VAL  18          HG12      VAL  18  -3.146  -1.543   0.935
  132   HG13  VAL  18          HG13      VAL  18  -4.606  -1.789  -0.036
  133   HG21  VAL  18          HG21      VAL  18  -1.330   0.610  -1.407
  134   HG22  VAL  18          HG22      VAL  18  -1.464   0.084   0.281
  135   HG23  VAL  18          HG23      VAL  18  -1.037  -1.093  -0.984
  136    H    ASP  19           H        ASP  19  -4.590  -3.084  -2.531
  137    HA   ASP  19           HA       ASP  19  -7.310  -2.118  -1.974
  138    HB2  ASP  19           HB2      ASP  19  -6.522  -3.494  -4.576
  139    HB3  ASP  19           HB3      ASP  19  -8.180  -3.346  -3.995
  140    H    ASN  20           H        ASN  20  -8.774  -4.300  -2.307
  141    HA   ASN  20           HA       ASN  20  -9.110  -6.535  -2.086
  142    HB2  ASN  20           HB2      ASN  20  -6.602  -6.654  -2.844
  143    HB3  ASN  20           HB3      ASN  20  -6.306  -7.090  -1.152
  144   HD21  ASN  20          HD22      ASN  20  -6.052  -9.289  -1.069
  145   HD22  ASN  20          HD21      ASN  20  -6.961 -10.428  -2.046
  146    H    LEU  21           H        LEU  21  -9.416  -4.491  -0.049
  147    HA   LEU  21           HA       LEU  21  -8.687  -5.177   2.557
  148    HB2  LEU  21           HB2      LEU  21 -11.162  -3.904   1.339
  149    HB3  LEU  21           HB3      LEU  21 -10.959  -4.040   3.072
  150    HG   LEU  21           HG       LEU  21 -10.307  -1.847   1.802
  151   HD11  LEU  21          HD11      LEU  21  -8.555  -3.065   3.959
  152   HD12  LEU  21          HD12      LEU  21  -8.775  -1.326   3.626
  153   HD13  LEU  21          HD13      LEU  21 -10.142  -2.288   4.212
  154   HD21  LEU  21          HD21      LEU  21  -8.629  -2.811   0.249
  155   HD22  LEU  21          HD22      LEU  21  -7.871  -1.666   1.361
  156   HD23  LEU  21          HD23      LEU  21  -7.683  -3.403   1.639
  157    H    THR  22           H        THR  22  -9.317  -6.677   3.991
  158    HA   THR  22           HA       THR  22 -10.996  -8.830   3.082
  159    HB   THR  22           HB       THR  22 -10.193  -8.386   5.973
  160   HG21  THR  22          HG21      THR  22 -10.379 -10.807   4.143
  161   HG22  THR  22          HG22      THR  22  -9.795 -10.848   5.828
  162   HG23  THR  22          HG23      THR  22 -11.481 -10.406   5.486
  163    H    TYR  23           H        TYR  23 -12.870  -9.600   4.555
  164    HA   TYR  23           HA       TYR  23 -14.924  -7.640   4.552
  165    HB2  TYR  23           HB2      TYR  23 -16.271  -9.430   5.565
  166    HB3  TYR  23           HB3      TYR  23 -15.316 -10.020   4.209
  167    HD1  TYR  23           HD1      TYR  23 -15.727 -10.084   7.880
  168    HD2  TYR  23           HD2      TYR  23 -13.490 -11.619   4.537
  169    HE1  TYR  23           HE1      TYR  23 -14.765 -11.849   9.337
  170    HE2  TYR  23           HE2      TYR  23 -12.540 -13.391   5.980
  171    HH   TYR  23           HH       TYR  23 -13.364 -13.666   9.463
  172    H    ARG  24           H        ARG  24 -12.407  -7.617   6.631
  173    HA   ARG  24           HA       ARG  24 -14.014  -6.596   8.914
  174    HB2  ARG  24           HB2      ARG  24 -12.521  -7.822  10.446
  175    HB3  ARG  24           HB3      ARG  24 -13.334  -8.936   9.336
  176    HG2  ARG  24           HG2      ARG  24 -11.262  -8.787   7.835
  177    HG3  ARG  24           HG3      ARG  24 -10.455  -7.947   9.176
  178    HD2  ARG  24           HD2      ARG  24 -11.018  -9.900  10.643
  179    HD3  ARG  24           HD3      ARG  24 -11.742 -10.693   9.228
  180    HE   ARG  24           HE       ARG  24  -9.616 -11.228   8.436
  181   HH11  ARG  24          HH11      ARG  24  -9.305  -8.813  11.009
  182   HH12  ARG  24          HH12      ARG  24  -7.563  -8.965  11.079
  183   HH21  ARG  24          HH21      ARG  24  -7.388 -11.391   8.557
  184   HH22  ARG  24          HH22      ARG  24  -6.474 -10.414   9.694
  185    H    THR  25           H        THR  25 -12.295  -5.461   6.611
  186    HA   THR  25           HA       THR  25 -10.396  -3.897   8.322
  187    HB   THR  25           HB       THR  25 -10.061  -4.367   5.357
  188   HG21  THR  25          HG21      THR  25  -7.653  -4.024   5.980
  189   HG22  THR  25          HG22      THR  25  -8.651  -2.608   6.377
  190   HG23  THR  25          HG23      THR  25  -8.149  -3.729   7.661
  191    H    SER  26           H        SER  26  -9.908  -1.673   7.365
  192    HA   SER  26           HA       SER  26 -12.228  -0.427   6.010
  193    HB2  SER  26           HB2      SER  26 -12.625   1.078   7.907
  194    HB3  SER  26           HB3      SER  26 -12.687  -0.590   8.495
  195    HG   SER  26           HG       SER  26 -11.409   0.768   9.814
  196    HA   PRO  27           HA       PRO  27  -9.095   2.249   4.435
  197    HB2  PRO  27           HB2      PRO  27 -10.186   4.745   4.385
  198    HB3  PRO  27           HB3      PRO  27 -10.788   3.409   3.350
  199    HG2  PRO  27           HG2      PRO  27 -11.880   4.330   6.026
  200    HG3  PRO  27           HG3      PRO  27 -12.801   4.061   4.516
  201    HD2  PRO  27           HD2      PRO  27 -12.680   2.175   6.435
  202    HD3  PRO  27           HD3      PRO  27 -12.590   1.693   4.718
  203    H    ASP  28           H        ASP  28 -10.586   3.328   7.513
  204    HA   ASP  28           HA       ASP  28  -8.490   5.132   8.260
  205    HB2  ASP  28           HB2      ASP  28 -10.513   3.497   9.834
  206    HB3  ASP  28           HB3      ASP  28  -9.443   4.706  10.576
  207    H    THR  29           H        THR  29  -8.969   1.597   8.614
  208    HA   THR  29           HA       THR  29  -6.612   1.265  10.277
  209    HB   THR  29           HB       THR  29  -8.108  -0.748   8.543
  210   HG21  THR  29          HG21      THR  29  -5.858  -1.511   9.069
  211   HG22  THR  29          HG22      THR  29  -6.050  -1.028  10.771
  212   HG23  THR  29          HG23      THR  29  -7.012  -2.378  10.101
  213    H    LEU  30           H        LEU  30  -7.382   0.899   6.774
  214    HA   LEU  30           HA       LEU  30  -4.858  -0.000   5.927
  215    HB2  LEU  30           HB2      LEU  30  -7.310   0.990   4.787
  216    HB3  LEU  30           HB3      LEU  30  -5.975   1.804   3.974
  217    HG   LEU  30           HG       LEU  30  -6.782  -0.312   2.880
  218   HD11  LEU  30          HD11      LEU  30  -3.910  -0.285   3.857
  219   HD12  LEU  30          HD12      LEU  30  -4.529  -1.284   2.519
  220   HD13  LEU  30          HD13      LEU  30  -4.545   0.492   2.387
  221   HD21  LEU  30          HD21      LEU  30  -7.152  -1.533   5.093
  222   HD22  LEU  30          HD22      LEU  30  -6.300  -2.453   3.823
  223   HD23  LEU  30          HD23      LEU  30  -5.392  -1.751   5.178
  224    H    ARG  31           H        ARG  31  -5.769   3.136   7.120
  225    HA   ARG  31           HA       ARG  31  -3.542   4.544   5.856
  226    HB2  ARG  31           HB2      ARG  31  -5.565   5.772   6.465
  227    HB3  ARG  31           HB3      ARG  31  -5.418   5.238   8.152
  228    HG2  ARG  31           HG2      ARG  31  -4.652   7.595   7.782
  229    HG3  ARG  31           HG3      ARG  31  -3.409   6.546   8.474
  230    HD2  ARG  31           HD2      ARG  31  -2.371   6.279   6.235
  231    HD3  ARG  31           HD3      ARG  31  -3.610   7.336   5.536
  232    HE   ARG  31           HE       ARG  31  -1.516   8.140   7.519
  233   HH11  ARG  31          HH11      ARG  31  -3.856   9.045   5.025
  234   HH12  ARG  31          HH12      ARG  31  -3.287  10.699   4.953
  235   HH21  ARG  31          HH21      ARG  31  -0.827  10.234   7.423
  236   HH22  ARG  31          HH22      ARG  31  -1.562  11.383   6.321
  237    H    ARG  32           H        ARG  32  -4.308   3.568   9.295
  238    HA   ARG  32           HA       ARG  32  -1.683   4.286  10.202
  239    HB2  ARG  32           HB2      ARG  32  -2.289   2.977  12.209
  240    HB3  ARG  32           HB3      ARG  32  -3.566   4.116  11.733
  241    HG2  ARG  32           HG2      ARG  32  -4.912   2.367  10.780
  242    HG3  ARG  32           HG3      ARG  32  -3.560   1.214  10.816
  243    HD2  ARG  32           HD2      ARG  32  -5.055   0.650  12.572
  244    HD3  ARG  32           HD3      ARG  32  -3.535   1.274  13.246
  245    HE   ARG  32           HE       ARG  32  -5.381   3.434  12.998
  246   HH11  ARG  32          HH11      ARG  32  -4.934   0.492  14.906
  247   HH12  ARG  32          HH12      ARG  32  -5.788   1.124  16.297
  248   HH21  ARG  32          HH21      ARG  32  -6.473   4.237  14.841
  249   HH22  ARG  32          HH22      ARG  32  -6.655   3.234  16.258
  250    H    VAL  33           H        VAL  33  -2.846   1.475   8.481
  251    HA   VAL  33           HA       VAL  33  -0.728  -0.272   9.483
  252    HB   VAL  33           HB       VAL  33  -2.888  -0.546   7.364
  253   HG11  VAL  33          HG11      VAL  33  -0.846  -2.604   8.294
  254   HG12  VAL  33          HG12      VAL  33  -2.292  -2.961   7.315
  255   HG13  VAL  33          HG13      VAL  33  -1.015  -1.926   6.653
  256   HG21  VAL  33          HG21      VAL  33  -3.634  -0.554   9.728
  257   HG22  VAL  33          HG22      VAL  33  -3.813  -2.163   9.002
  258   HG23  VAL  33          HG23      VAL  33  -2.452  -1.824  10.104
  259    H    PHE  34           H        PHE  34  -1.343   1.736   6.585
  260    HA   PHE  34           HA       PHE  34   1.212   0.775   5.409
  261    HB2  PHE  34           HB2      PHE  34  -1.301   2.040   4.374
  262    HB3  PHE  34           HB3      PHE  34   0.175   2.321   3.493
  263    HD1  PHE  34           HD1      PHE  34  -2.073  -0.341   4.775
  264    HD2  PHE  34           HD2      PHE  34   1.163   0.592   2.105
  265    HE1  PHE  34           HE1      PHE  34  -2.337  -2.551   3.684
  266    HE2  PHE  34           HE2      PHE  34   0.908  -1.619   1.021
  267    HZ   PHE  34           HZ       PHE  34  -0.837  -3.188   1.788
  268    H    GLU  35           H        GLU  35   0.041   3.391   7.325
  269    HA   GLU  35           HA       GLU  35   1.717   5.453   6.186
  270    HB2  GLU  35           HB2      GLU  35  -0.233   6.021   7.494
  271    HB3  GLU  35           HB3      GLU  35   0.371   5.107   8.891
  272    HG2  GLU  35           HG2      GLU  35   2.181   6.676   9.218
  273    HG3  GLU  35           HG3      GLU  35   1.812   7.497   7.684
  274    H    LYS  36           H        LYS  36   2.287   2.771   8.423
  275    HA   LYS  36           HA       LYS  36   4.581   3.916   9.704
  276    HB2  LYS  36           HB2      LYS  36   5.008   1.670  10.498
  277    HB3  LYS  36           HB3      LYS  36   3.281   2.066  10.655
  278    HG2  LYS  36           HG2      LYS  36   2.816   0.776   8.579
  279    HG3  LYS  36           HG3      LYS  36   4.539   0.361   8.455
  280    HD2  LYS  36           HD2      LYS  36   4.424  -0.735  10.684
  281    HD3  LYS  36           HD3      LYS  36   2.696  -0.342  10.778
  282    HE2  LYS  36           HE2      LYS  36   2.286  -1.676   8.729
  283    HE3  LYS  36           HE3      LYS  36   4.011  -2.060   8.631
  284    HZ1  LYS  36           HZ1      LYS  36   3.825  -3.158  10.758
  285    HZ2  LYS  36           HZ2      LYS  36   2.218  -2.814  10.841
  286    HZ3  LYS  36           HZ3      LYS  36   2.784  -3.820   9.676
  287    H    TYR  37           H        TYR  37   4.130   2.370   6.610
  288    HA   TYR  37           HA       TYR  37   6.915   1.711   6.180
  289    HB2  TYR  37           HB2      TYR  37   4.578   2.069   4.272
  290    HB3  TYR  37           HB3      TYR  37   6.182   1.511   3.786
  291    HD1  TYR  37           HD1      TYR  37   3.196   0.681   5.836
  292    HD2  TYR  37           HD2      TYR  37   6.925  -0.715   4.220
  293    HE1  TYR  37           HE1      TYR  37   2.608  -1.624   6.510
  294    HE2  TYR  37           HE2      TYR  37   6.338  -3.042   4.869
  295    HH   TYR  37           HH       TYR  37   3.277  -3.846   6.535
  296    H    GLY  38           H        GLY  38   5.098   4.680   6.086
  297    HA2  GLY  38           HA2      GLY  38   7.273   6.318   6.152
  298    HA3  GLY  38           HA3      GLY  38   7.036   6.085   4.414
  299    H    ARG  39           H        ARG  39   4.584   6.356   3.714
  300    HA   ARG  39           HA       ARG  39   3.061   8.356   5.165
  301    HB2  ARG  39           HB2      ARG  39   3.448  10.072   3.282
  302    HB3  ARG  39           HB3      ARG  39   4.777   9.859   4.437
  303    HG2  ARG  39           HG2      ARG  39   5.989   8.393   2.896
  304    HG3  ARG  39           HG3      ARG  39   4.628   8.410   1.768
  305    HD2  ARG  39           HD2      ARG  39   6.263   9.935   0.920
  306    HD3  ARG  39           HD3      ARG  39   4.970  10.938   1.587
  307    HE   ARG  39           HE       ARG  39   6.433  11.721   3.209
  308   HH11  ARG  39          HH11      ARG  39   7.849   8.836   1.681
  309   HH12  ARG  39          HH12      ARG  39   9.406   9.076   2.427
  310   HH21  ARG  39          HH21      ARG  39   8.474  11.960   4.196
  311   HH22  ARG  39          HH22      ARG  39   9.752  10.819   3.861
  312    H    VAL  40           H        VAL  40   1.252   9.183   3.766
  313    HA   VAL  40           HA       VAL  40   0.529   7.383   1.512
  314    HB   VAL  40           HB       VAL  40  -1.257   7.962   3.915
  315   HG11  VAL  40          HG11      VAL  40  -1.734   6.295   1.424
  316   HG12  VAL  40          HG12      VAL  40  -2.793   6.360   2.846
  317   HG13  VAL  40          HG13      VAL  40  -2.543   7.822   1.873
  318   HG21  VAL  40          HG21      VAL  40  -1.136   5.499   4.304
  319   HG22  VAL  40          HG22      VAL  40   0.079   5.368   3.011
  320   HG23  VAL  40          HG23      VAL  40   0.448   6.272   4.499
  321    H    GLY  41           H        GLY  41  -0.485   8.524  -0.113
  322    HA2  GLY  41           HA2      GLY  41  -0.999  11.400   0.378
  323    HA3  GLY  41           HA3      GLY  41  -0.798  10.597  -1.192
  324    H    ASP  42           H        ASP  42  -2.668   8.342  -0.222
  325    HA   ASP  42           HA       ASP  42  -5.182   9.700   0.311
  326    HB2  ASP  42           HB2      ASP  42  -4.869   9.984  -2.187
  327    HB3  ASP  42           HB3      ASP  42  -4.780   8.227  -2.342
  328    H    VAL  43           H        VAL  43  -6.896   8.208   0.749
  329    HA   VAL  43           HA       VAL  43  -6.641   5.368   0.609
  330    HB   VAL  43           HB       VAL  43  -5.043   5.437   2.338
  331   HG11  VAL  43          HG11      VAL  43  -5.260   6.674   4.431
  332   HG12  VAL  43          HG12      VAL  43  -5.235   7.774   3.043
  333   HG13  VAL  43          HG13      VAL  43  -6.774   7.412   3.871
  334   HG21  VAL  43          HG21      VAL  43  -6.934   3.863   2.727
  335   HG22  VAL  43          HG22      VAL  43  -6.067   4.356   4.194
  336   HG23  VAL  43          HG23      VAL  43  -7.653   5.067   3.829
  337    H    TYR  44           H        TYR  44  -8.794   5.328  -0.132
  338    HA   TYR  44           HA       TYR  44 -10.719   5.527   2.016
  339    HB2  TYR  44           HB2      TYR  44 -11.852   7.358   1.607
  340    HB3  TYR  44           HB3      TYR  44 -10.290   7.927   1.075
  341    HD1  TYR  44           HD1      TYR  44 -10.033   7.084  -1.747
  342    HD2  TYR  44           HD2      TYR  44 -13.497   8.349   0.501
  343    HE1  TYR  44           HE1      TYR  44 -11.144   7.809  -3.838
  344    HE2  TYR  44           HE2      TYR  44 -14.568   9.128  -1.571
  345    HH   TYR  44           HH       TYR  44 -12.991   8.721  -4.776
  346    H    ILE  45           H        ILE  45 -13.065   5.394   1.070
  347    HA   ILE  45           HA       ILE  45 -13.051   2.995  -0.683
  348    HB   ILE  45           HB       ILE  45 -15.268   3.868   1.197
  349   HG12  ILE  45          HG12      ILE  45 -13.210   3.674   2.531
  350   HG13  ILE  45          HG13      ILE  45 -14.382   2.397   2.916
  351   HG21  ILE  45          HG21      ILE  45 -14.447   1.192  -0.009
  352   HG22  ILE  45          HG22      ILE  45 -15.722   1.414   1.202
  353   HG23  ILE  45          HG23      ILE  45 -15.895   2.149  -0.409
  354   HD11  ILE  45          HD11      ILE  45 -12.004   2.058   1.050
  355   HD12  ILE  45          HD12      ILE  45 -12.040   1.564   2.758
  356   HD13  ILE  45          HD13      ILE  45 -13.120   0.776   1.588
  357    HA   PRO  46           HA       PRO  46 -14.594   6.376  -3.182
  358    HB2  PRO  46           HB2      PRO  46 -13.956   5.416  -5.625
  359    HB3  PRO  46           HB3      PRO  46 -12.692   5.858  -4.410
  360    HG2  PRO  46           HG2      PRO  46 -13.782   3.095  -5.013
  361    HG3  PRO  46           HG3      PRO  46 -12.066   3.610  -4.931
  362    HD2  PRO  46           HD2      PRO  46 -13.385   2.497  -2.799
  363    HD3  PRO  46           HD3      PRO  46 -12.120   3.757  -2.598
  364    H    ARG  47           H        ARG  47 -15.593   2.977  -4.083
  365    HA   ARG  47           HA       ARG  47 -17.559   4.003  -5.932
  366    HB2  ARG  47           HB2      ARG  47 -17.232   1.236  -4.716
  367    HB3  ARG  47           HB3      ARG  47 -18.314   1.650  -6.058
  368    HG2  ARG  47           HG2      ARG  47 -15.270   1.883  -6.069
  369    HG3  ARG  47           HG3      ARG  47 -16.242   0.673  -6.925
  370    HD2  ARG  47           HD2      ARG  47 -17.290   2.459  -8.274
  371    HD3  ARG  47           HD3      ARG  47 -16.338   3.677  -7.404
  372    HE   ARG  47           HE       ARG  47 -14.672   1.653  -8.634
  373   HH11  ARG  47          HH11      ARG  47 -16.447   4.666  -9.152
  374   HH12  ARG  47          HH12      ARG  47 -15.408   5.210 -10.435
  375   HH21  ARG  47          HH21      ARG  47 -13.351   2.374 -10.417
  376   HH22  ARG  47          HH22      ARG  47 -13.736   3.888 -11.205
  377    H    ASP  48           H        ASP  48 -19.842   3.702  -5.850
  378    HA   ASP  48           HA       ASP  48 -21.679   4.695  -4.950
  379    HB2  ASP  48           HB2      ASP  48 -21.366   2.406  -2.998
  380    HB3  ASP  48           HB3      ASP  48 -22.850   3.252  -3.498
  381    H    ARG  49           H        ARG  49 -20.463   6.581  -4.373
  382    HA   ARG  49           HA       ARG  49 -19.235   7.077  -1.931
  383    HB2  ARG  49           HB2      ARG  49 -19.056   9.304  -2.725
  384    HB3  ARG  49           HB3      ARG  49 -19.095   8.261  -4.170
  385    HG2  ARG  49           HG2      ARG  49 -21.511   8.762  -4.434
  386    HG3  ARG  49           HG3      ARG  49 -21.359   9.935  -3.079
  387    HD2  ARG  49           HD2      ARG  49 -19.570  11.093  -4.339
  388    HD3  ARG  49           HD3      ARG  49 -19.796   9.975  -5.699
  389    HE   ARG  49           HE       ARG  49 -22.318  11.054  -5.219
  390   HH11  ARG  49          HH11      ARG  49 -19.122  12.312  -6.021
  391   HH12  ARG  49          HH12      ARG  49 -19.746  13.714  -6.862
  392   HH21  ARG  49          HH21      ARG  49 -23.121  12.878  -6.349
  393   HH22  ARG  49          HH22      ARG  49 -22.006  14.013  -7.066
  394    H    TYR  50           H        TYR  50 -22.390   6.312  -1.988
  395    HA   TYR  50           HA       TYR  50 -22.928   7.796   0.513
  396    HB2  TYR  50           HB2      TYR  50 -25.308   8.203  -0.421
  397    HB3  TYR  50           HB3      TYR  50 -23.994   9.243  -1.000
  398    HD1  TYR  50           HD2      TYR  50 -26.138   6.345  -1.913
  399    HD2  TYR  50           HD1      TYR  50 -23.296   9.279  -3.215
  400    HE1  TYR  50           HE2      TYR  50 -26.436   5.574  -4.240
  401    HE2  TYR  50           HE1      TYR  50 -23.497   8.486  -5.546
  402    HH   TYR  50           HH       TYR  50 -24.606   7.026  -6.978
  403    H    THR  51           H        THR  51 -22.824   4.861  -1.115
  404    HA   THR  51           HA       THR  51 -24.732   3.711   0.872
  405    HB   THR  51           HB       THR  51 -25.362   2.021  -0.526
  406   HG21  THR  51          HG21      THR  51 -24.820   4.235  -2.540
  407   HG22  THR  51          HG22      THR  51 -26.040   2.949  -2.663
  408   HG23  THR  51          HG23      THR  51 -26.206   4.201  -1.411
  409    H    LYS  52           H        LYS  52 -21.580   4.089  -0.154
  410    HA   LYS  52           HA       LYS  52 -19.633   3.055  -0.043
  411    HB2  LYS  52           HB2      LYS  52 -18.824   2.681   2.216
  412    HB3  LYS  52           HB3      LYS  52 -19.755   4.165   2.111
  413    HG2  LYS  52           HG2      LYS  52 -21.194   1.665   2.980
  414    HG3  LYS  52           HG3      LYS  52 -20.060   2.423   4.109
  415    HD2  LYS  52           HD2      LYS  52 -21.230   4.552   3.972
  416    HD3  LYS  52           HD3      LYS  52 -22.370   3.894   2.780
  417    HE2  LYS  52           HE2      LYS  52 -23.115   2.204   4.441
  418    HE3  LYS  52           HE3      LYS  52 -21.977   2.871   5.622
  419    HZ1  LYS  52           HZ1      LYS  52 -23.164   4.958   5.499
  420    HZ2  LYS  52           HZ2      LYS  52 -24.230   4.344   4.413
  421    HZ3  LYS  52           HZ3      LYS  52 -24.183   3.744   5.939
  422    H    GLU  53           H        GLU  53 -21.707   1.185  -0.980
  423    HA   GLU  53           HA       GLU  53 -20.971  -1.410  -0.001
  424    HB2  GLU  53           HB2      GLU  53 -22.331  -0.333  -2.504
  425    HB3  GLU  53           HB3      GLU  53 -22.061  -2.064  -2.248
  426    HG2  GLU  53           HG2      GLU  53 -23.629  -0.237  -0.383
  427    HG3  GLU  53           HG3      GLU  53 -24.324  -1.378  -1.542
  428    H    SER  54           H        SER  54 -20.308  -2.870  -2.064
  429    HA   SER  54           HA       SER  54 -18.414  -3.780  -2.959
  430    HB2  SER  54           HB2      SER  54 -19.241  -2.110  -4.697
  431    HB3  SER  54           HB3      SER  54 -17.894  -1.068  -4.198
  432    HG   SER  54           HG       SER  54 -17.313  -2.457  -5.919
  433    H    ARG  55           H        ARG  55 -18.166  -2.414  -0.350
  434    HA   ARG  55           HA       ARG  55 -15.660  -1.163   0.019
  435    HB2  ARG  55           HB2      ARG  55 -16.060  -1.692   2.416
  436    HB3  ARG  55           HB3      ARG  55 -17.459  -0.996   1.596
  437    HG2  ARG  55           HG2      ARG  55 -18.493  -2.692   2.760
  438    HG3  ARG  55           HG3      ARG  55 -18.193  -3.496   1.225
  439    HD2  ARG  55           HD2      ARG  55 -17.567  -5.056   2.843
  440    HD3  ARG  55           HD3      ARG  55 -16.014  -4.394   2.332
  441    HE   ARG  55           HE       ARG  55 -17.498  -3.750   4.856
  442   HH11  ARG  55          HH11      ARG  55 -14.442  -3.684   3.044
  443   HH12  ARG  55          HH12      ARG  55 -13.506  -3.289   4.468
  444   HH21  ARG  55          HH21      ARG  55 -16.232  -3.203   6.646
  445   HH22  ARG  55          HH22      ARG  55 -14.506  -2.980   6.455
  446    H    GLY  56           H        GLY  56 -15.798  -4.077  -1.340
  447    HA2  GLY  56           HA2      GLY  56 -14.083  -5.712   0.256
  448    HA3  GLY  56           HA3      GLY  56 -14.383  -5.868  -1.486
  449    H    PHE  57           H        PHE  57 -13.348  -2.713  -1.020
  450    HA   PHE  57           HA       PHE  57 -10.491  -3.208  -0.738
  451    HB2  PHE  57           HB2      PHE  57  -9.902  -2.331  -2.927
  452    HB3  PHE  57           HB3      PHE  57 -10.861  -3.801  -3.097
  453    HD1  PHE  57           HD2      PHE  57 -13.440  -3.477  -3.503
  454    HD2  PHE  57           HD1      PHE  57 -10.484  -0.411  -4.127
  455    HE1  PHE  57           HE2      PHE  57 -14.992  -2.280  -5.017
  456    HE2  PHE  57           HE1      PHE  57 -12.007   0.748  -5.679
  457    HZ   PHE  57           HZ       PHE  57 -14.276  -0.181  -6.127
  458    H    ALA  58           H        ALA  58  -9.265  -1.169  -0.954
  459    HA   ALA  58           HA       ALA  58 -10.775   1.319  -0.532
  460    HB1  ALA  58           HB1      ALA  58  -8.736   0.268   1.484
  461    HB2  ALA  58           HB2      ALA  58  -9.595   1.817   1.548
  462    HB3  ALA  58           HB3      ALA  58 -10.490   0.286   1.749
  463    H    PHE  59           H        PHE  59  -9.868   2.341  -2.286
  464    HA   PHE  59           HA       PHE  59  -7.167   1.751  -3.163
  465    HB2  PHE  59           HB2      PHE  59  -8.891   2.441  -4.748
  466    HB3  PHE  59           HB3      PHE  59  -9.138   3.952  -3.870
  467    HD1  PHE  59           HD1      PHE  59  -7.528   5.771  -3.980
  468    HD2  PHE  59           HD2      PHE  59  -6.938   2.171  -6.281
  469    HE1  PHE  59           HE1      PHE  59  -5.838   6.923  -5.358
  470    HE2  PHE  59           HE2      PHE  59  -5.191   3.310  -7.595
  471    HZ   PHE  59           HZ       PHE  59  -4.611   5.663  -7.139
  472    H    VAL  60           H        VAL  60  -5.411   2.331  -2.142
  473    HA   VAL  60           HA       VAL  60  -5.367   5.077  -0.965
  474    HB   VAL  60           HB       VAL  60  -4.099   4.412   0.827
  475   HG11  VAL  60          HG11      VAL  60  -5.345   1.703   0.277
  476   HG12  VAL  60          HG12      VAL  60  -4.971   2.468   1.841
  477   HG13  VAL  60          HG13      VAL  60  -6.285   3.108   0.822
  478   HG21  VAL  60          HG21      VAL  60  -2.727   2.278   0.855
  479   HG22  VAL  60          HG22      VAL  60  -3.023   2.190  -0.909
  480   HG23  VAL  60          HG23      VAL  60  -2.166   3.574  -0.203
  481    H    ARG  61           H        ARG  61  -3.052   6.048  -1.062
  482    HA   ARG  61           HA       ARG  61  -1.552   4.876  -3.295
  483    HB2  ARG  61           HB2      ARG  61  -1.849   6.587  -4.808
  484    HB3  ARG  61           HB3      ARG  61  -3.409   6.669  -3.995
  485    HG2  ARG  61           HG2      ARG  61  -2.376   8.434  -2.448
  486    HG3  ARG  61           HG3      ARG  61  -0.981   8.442  -3.549
  487    HD2  ARG  61           HD2      ARG  61  -3.869   9.106  -4.196
  488    HD3  ARG  61           HD3      ARG  61  -2.497  10.235  -4.190
  489    HE   ARG  61           HE       ARG  61  -1.610   8.591  -6.054
  490   HH11  ARG  61          HH11      ARG  61  -4.919   9.720  -5.576
  491   HH12  ARG  61          HH12      ARG  61  -5.377   9.454  -7.239
  492   HH21  ARG  61          HH21      ARG  61  -2.208   8.305  -8.229
  493   HH22  ARG  61          HH22      ARG  61  -3.842   8.667  -8.741
  494    H    PHE  62           H        PHE  62   0.582   5.539  -3.519
  495    HA   PHE  62           HA       PHE  62   1.721   7.002  -1.152
  496    HB2  PHE  62           HB2      PHE  62   2.747   4.622  -2.710
  497    HB3  PHE  62           HB3      PHE  62   3.810   5.663  -1.784
  498    HD1  PHE  62           HD2      PHE  62   0.470   3.995  -1.118
  499    HD2  PHE  62           HD1      PHE  62   4.480   4.828   0.215
  500    HE1  PHE  62           HE2      PHE  62   0.038   2.752   0.987
  501    HE2  PHE  62           HE1      PHE  62   4.058   3.549   2.290
  502    HZ   PHE  62           HZ       PHE  62   1.862   2.497   2.669
  503    H    HIS  63           H        HIS  63   3.938   7.920  -1.597
  504    HA   HIS  63           HA       HIS  63   3.615   9.539  -4.074
  505    HB2  HIS  63           HB2      HIS  63   5.383  10.297  -1.763
  506    HB3  HIS  63           HB3      HIS  63   4.515  11.348  -2.871
  507    HD2  HIS  63           HD2      HIS  63   3.767   8.903   0.100
  508    HE1  HIS  63           HE1      HIS  63   1.040  12.157   0.381
  509    HE2  HIS  63           HE2      HIS  63   1.865  10.023   1.504
  510    H    ASP  64           H        ASP  64   5.920   7.438  -2.349
  511    HA   ASP  64           HA       ASP  64   8.051   8.471  -4.166
  512    HB2  ASP  64           HB2      ASP  64   8.002   8.745  -1.448
  513    HB3  ASP  64           HB3      ASP  64   8.788   7.174  -1.595
  514    H    LYS  65           H        LYS  65   9.551   6.944  -4.989
  515    HA   LYS  65           HA       LYS  65   8.348   4.415  -5.585
  516    HB2  LYS  65           HB2      LYS  65   9.842   5.489  -7.144
  517    HB3  LYS  65           HB3      LYS  65  11.137   5.537  -5.948
  518    HG2  LYS  65           HG2      LYS  65  11.459   3.752  -7.649
  519    HG3  LYS  65           HG3      LYS  65  11.370   3.120  -6.005
  520    HD2  LYS  65           HD2      LYS  65  10.107   1.740  -7.651
  521    HD3  LYS  65           HD3      LYS  65   9.090   2.351  -6.340
  522    HE2  LYS  65           HE2      LYS  65   7.908   2.557  -8.442
  523    HE3  LYS  65           HE3      LYS  65   8.274   4.166  -7.810
  524    HZ1  LYS  65           HZ1      LYS  65   8.746   4.002 -10.154
  525    HZ2  LYS  65           HZ2      LYS  65  10.136   4.278  -9.333
  526    HZ3  LYS  65           HZ3      LYS  65   9.795   2.769  -9.913
  527    H    ARG  66           H        ARG  66  10.960   5.372  -3.286
  528    HA   ARG  66           HA       ARG  66  11.556   2.662  -2.619
  529    HB2  ARG  66           HB2      ARG  66  12.837   3.547  -0.761
  530    HB3  ARG  66           HB3      ARG  66  13.219   4.352  -2.280
  531    HG2  ARG  66           HG2      ARG  66  11.229   5.610  -0.384
  532    HG3  ARG  66           HG3      ARG  66  12.960   5.713  -0.051
  533    HD2  ARG  66           HD2      ARG  66  11.667   6.622  -2.644
  534    HD3  ARG  66           HD3      ARG  66  12.132   7.679  -1.298
  535    HE   ARG  66           HE       ARG  66  14.442   6.286  -1.891
  536   HH11  ARG  66          HH11      ARG  66  12.234   8.364  -3.727
  537   HH12  ARG  66          HH12      ARG  66  13.482   8.930  -4.805
  538   HH21  ARG  66          HH21      ARG  66  16.042   7.052  -3.311
  539   HH22  ARG  66          HH22      ARG  66  15.638   8.190  -4.575
  540    H    ASP  67           H        ASP  67   9.254   4.994  -1.058
  541    HA   ASP  67           HA       ASP  67   8.865   3.037   1.090
  542    HB2  ASP  67           HB2      ASP  67   7.201   4.603   1.970
  543    HB3  ASP  67           HB3      ASP  67   8.765   5.366   1.682
  544    H    ALA  68           H        ALA  68   7.663   3.477  -2.072
  545    HA   ALA  68           HA       ALA  68   5.057   2.252  -1.580
  546    HB1  ALA  68           HB1      ALA  68   4.987   2.427  -4.104
  547    HB2  ALA  68           HB2      ALA  68   5.308   3.975  -3.293
  548    HB3  ALA  68           HB3      ALA  68   6.643   3.053  -4.055
  549    H    GLU  69           H        GLU  69   8.177   1.408  -3.239
  550    HA   GLU  69           HA       GLU  69   7.250  -1.217  -3.933
  551    HB2  GLU  69           HB2      GLU  69   9.532  -1.711  -4.507
  552    HB3  GLU  69           HB3      GLU  69   9.101  -0.106  -5.122
  553    HG2  GLU  69           HG2      GLU  69  10.348   0.977  -3.345
  554    HG3  GLU  69           HG3      GLU  69  10.526  -0.525  -2.466
  555    H    ASP  70           H        ASP  70   8.618   0.172  -0.978
  556    HA   ASP  70           HA       ASP  70   9.409  -2.384   0.127
  557    HB2  ASP  70           HB2      ASP  70  10.365  -0.189   0.811
  558    HB3  ASP  70           HB3      ASP  70   8.796   0.263   1.501
  559    H    ALA  71           H        ALA  71   6.520  -0.216   0.583
  560    HA   ALA  71           HA       ALA  71   5.247  -1.957   2.452
  561    HB1  ALA  71           HB1      ALA  71   4.049   0.007   0.456
  562    HB2  ALA  71           HB2      ALA  71   3.220  -0.660   1.880
  563    HB3  ALA  71           HB3      ALA  71   4.620   0.418   2.091
  564    H    MET  72           H        MET  72   5.365  -1.904  -1.090
  565    HA   MET  72           HA       MET  72   3.309  -3.910  -1.503
  566    HB2  MET  72           HB2      MET  72   3.813  -2.411  -3.274
  567    HB3  MET  72           HB3      MET  72   5.556  -2.668  -3.089
  568    HG2  MET  72           HG2      MET  72   5.469  -4.801  -4.078
  569    HG3  MET  72           HG3      MET  72   3.698  -4.892  -3.941
  570    HE1  MET  72           HE1      MET  72   5.563  -1.699  -6.740
  571    HE2  MET  72           HE2      MET  72   5.256  -1.472  -5.011
  572    HE3  MET  72           HE3      MET  72   6.555  -2.563  -5.536
  573    H    ASP  73           H        ASP  73   6.920  -3.936  -1.244
  574    HA   ASP  73           HA       ASP  73   6.976  -6.780  -1.767
  575    HB2  ASP  73           HB2      ASP  73   8.769  -5.208  -2.473
  576    HB3  ASP  73           HB3      ASP  73   9.174  -4.925  -0.771
  577    H    ALA  74           H        ALA  74   5.887  -5.175   0.910
  578    HA   ALA  74           HA       ALA  74   7.017  -7.202   2.781
  579    HB1  ALA  74           HB1      ALA  74   6.361  -4.289   3.258
  580    HB2  ALA  74           HB2      ALA  74   6.961  -5.423   4.491
  581    HB3  ALA  74           HB3      ALA  74   8.007  -4.968   3.121
  582    H    MET  75           H        MET  75   4.152  -5.950   1.354
  583    HA   MET  75           HA       MET  75   2.639  -7.416   3.460
  584    HB2  MET  75           HB2      MET  75   2.617  -4.720   3.429
  585    HB3  MET  75           HB3      MET  75   1.298  -5.053   2.269
  586    HG2  MET  75           HG2      MET  75   0.401  -6.709   3.989
  587    HG3  MET  75           HG3      MET  75   1.592  -6.053   5.118
  588    HE1  MET  75           HE1      MET  75   1.576  -2.991   4.150
  589    HE2  MET  75           HE2      MET  75   0.416  -2.256   5.267
  590    HE3  MET  75           HE3      MET  75   1.595  -3.441   5.879
  591    H    ASP  76           H        ASP  76   2.825  -6.486  -0.024
  592    HA   ASP  76           HA       ASP  76   0.268  -7.514  -0.690
  593    HB2  ASP  76           HB2      ASP  76   1.536  -6.183  -2.237
  594    HB3  ASP  76           HB3      ASP  76   2.877  -7.345  -2.244
  595    H    GLY  77           H        GLY  77  -0.489  -9.568  -0.931
  596    HA2  GLY  77           HA2      GLY  77  -0.522 -11.864  -1.128
  597    HA3  GLY  77           HA3      GLY  77   1.167 -11.795  -1.659
  598    H    ALA  78           H        ALA  78  -0.305 -10.801   1.493
  599    HA   ALA  78           HA       ALA  78   1.519 -12.737   2.838
  600    HB1  ALA  78           HB1      ALA  78   0.515  -9.978   3.684
  601    HB2  ALA  78           HB2      ALA  78   1.605 -11.008   4.651
  602    HB3  ALA  78           HB3      ALA  78   2.159 -10.322   3.096
  603    H    VAL  79           H        VAL  79  -1.162 -13.059   1.860
  604    HA   VAL  79           HA       VAL  79  -3.117 -12.422   3.810
  605    HB   VAL  79           HB       VAL  79  -3.364 -14.510   1.586
  606   HG11  VAL  79          HG11      VAL  79  -5.389 -12.599   2.771
  607   HG12  VAL  79          HG12      VAL  79  -5.568 -13.619   1.302
  608   HG13  VAL  79          HG13      VAL  79  -5.360 -14.397   2.856
  609   HG21  VAL  79          HG21      VAL  79  -2.296 -12.483   0.588
  610   HG22  VAL  79          HG22      VAL  79  -3.917 -12.814  -0.032
  611   HG23  VAL  79          HG23      VAL  79  -3.675 -11.509   1.134
  612    H    LEU  80           H        LEU  80  -4.803 -13.730   4.590
  613    HA   LEU  80           HA       LEU  80  -4.063 -16.365   5.505
  614    HB2  LEU  80           HB2      LEU  80  -4.224 -15.631   7.990
  615    HB3  LEU  80           HB3      LEU  80  -2.723 -15.365   7.108
  616    HG   LEU  80           HG       LEU  80  -3.187 -13.020   6.824
  617   HD11  LEU  80          HD11      LEU  80  -5.864 -13.597   8.160
  618   HD12  LEU  80          HD12      LEU  80  -5.180 -11.973   7.907
  619   HD13  LEU  80          HD13      LEU  80  -5.584 -12.974   6.508
  620   HD21  LEU  80          HD21      LEU  80  -2.184 -13.781   8.962
  621   HD22  LEU  80          HD22      LEU  80  -3.176 -12.325   9.190
  622   HD23  LEU  80          HD23      LEU  80  -3.811 -13.914   9.667
  623    H    ASP  81           H        ASP  81  -6.384 -14.561   4.329
  624    HA   ASP  81           HA       ASP  81  -8.501 -16.031   5.814
  625    HB2  ASP  81           HB2      ASP  81  -8.502 -13.085   5.052
  626    HB3  ASP  81           HB3      ASP  81  -9.967 -13.992   5.458
  627    H    GLY  82           H        GLY  82  -6.908 -15.909   3.032
  628    HA2  GLY  82           HA2      GLY  82  -7.658 -17.017   1.060
  629    HA3  GLY  82           HA3      GLY  82  -9.319 -16.472   1.379
  630    H    ARG  83           H        ARG  83  -7.812 -13.812   2.154
  631    HA   ARG  83           HA       ARG  83  -6.597 -12.637  -0.087
  632    HB2  ARG  83           HB2      ARG  83  -8.291 -11.271  -1.060
  633    HB3  ARG  83           HB3      ARG  83  -8.928 -12.908  -1.077
  634    HG2  ARG  83           HG2      ARG  83 -10.758 -11.952  -0.178
  635    HG3  ARG  83           HG3      ARG  83  -9.819 -12.094   1.343
  636    HD2  ARG  83           HD2      ARG  83 -10.769  -9.856   1.176
  637    HD3  ARG  83           HD3      ARG  83  -9.021  -9.740   0.982
  638    HE   ARG  83           HE       ARG  83  -9.285  -9.317  -1.336
  639   HH11  ARG  83          HH11      ARG  83 -12.400  -9.612   0.321
  640   HH12  ARG  83          HH12      ARG  83 -13.289  -8.871  -0.992
  641   HH21  ARG  83          HH21      ARG  83 -10.464  -8.405  -3.021
  642   HH22  ARG  83          HH22      ARG  83 -12.192  -8.162  -2.873
  643    H    GLU  84           H        GLU  84  -5.485 -10.919   0.890
  644    HA   GLU  84           HA       GLU  84  -7.122  -9.370   2.778
  645    HB2  GLU  84           HB2      GLU  84  -5.589  -9.192   4.513
  646    HB3  GLU  84           HB3      GLU  84  -5.881 -10.921   4.166
  647    HG2  GLU  84           HG2      GLU  84  -3.837 -11.087   2.990
  648    HG3  GLU  84           HG3      GLU  84  -3.510  -9.380   3.059
  649    H    LEU  85           H        LEU  85  -4.290  -9.640   0.687
  650    HA   LEU  85           HA       LEU  85  -4.163  -6.677   0.432
  651    HB2  LEU  85           HB2      LEU  85  -1.967  -8.596   1.310
  652    HB3  LEU  85           HB3      LEU  85  -1.560  -7.240   0.274
  653    HG   LEU  85           HG       LEU  85  -1.037  -6.514   2.370
  654   HD11  LEU  85          HD11      LEU  85  -2.429  -4.575   2.691
  655   HD12  LEU  85          HD12      LEU  85  -2.330  -4.939   0.945
  656   HD13  LEU  85          HD13      LEU  85  -3.801  -5.352   1.869
  657   HD21  LEU  85          HD21      LEU  85  -2.164  -8.130   3.755
  658   HD22  LEU  85          HD22      LEU  85  -2.517  -6.485   4.326
  659   HD23  LEU  85          HD23      LEU  85  -3.749  -7.387   3.421
  660    H    ARG  86           H        ARG  86  -3.801  -5.945  -1.496
  661    HA   ARG  86           HA       ARG  86  -2.138  -7.378  -3.420
  662    HB2  ARG  86           HB2      ARG  86  -5.018  -6.604  -4.001
  663    HB3  ARG  86           HB3      ARG  86  -3.790  -6.745  -5.268
  664    HG2  ARG  86           HG2      ARG  86  -4.684  -8.960  -3.383
  665    HG3  ARG  86           HG3      ARG  86  -5.081  -8.801  -5.105
  666    HD2  ARG  86           HD2      ARG  86  -2.662  -8.969  -5.670
  667    HD3  ARG  86           HD3      ARG  86  -2.286  -9.204  -3.945
  668    HE   ARG  86           HE       ARG  86  -4.241 -11.099  -4.834
  669   HH11  ARG  86          HH11      ARG  86  -0.791 -10.345  -4.899
  670   HH12  ARG  86          HH12      ARG  86  -0.297 -12.008  -5.100
  671   HH21  ARG  86          HH21      ARG  86  -3.581 -13.280  -5.095
  672   HH22  ARG  86          HH22      ARG  86  -1.883 -13.673  -5.189
  673    H    VAL  87           H        VAL  87  -0.650  -5.933  -3.900
  674    HA   VAL  87           HA       VAL  87  -1.352  -3.035  -4.021
  675    HB   VAL  87           HB       VAL  87   1.126  -4.240  -2.729
  676   HG11  VAL  87          HG11      VAL  87   0.076  -1.398  -2.731
  677   HG12  VAL  87          HG12      VAL  87   1.495  -1.997  -1.836
  678   HG13  VAL  87          HG13      VAL  87   1.497  -2.001  -3.613
  679   HG21  VAL  87          HG21      VAL  87  -0.737  -4.825  -1.320
  680   HG22  VAL  87          HG22      VAL  87   0.138  -3.488  -0.567
  681   HG23  VAL  87          HG23      VAL  87  -1.393  -3.170  -1.427
  682    H    GLN  88           H        GLN  88  -0.253  -1.869  -5.551
  683    HA   GLN  88           HA       GLN  88   2.178  -2.690  -6.839
  684    HB2  GLN  88           HB2      GLN  88   1.276  -3.149  -9.078
  685    HB3  GLN  88           HB3      GLN  88   0.649  -4.342  -7.936
  686    HG2  GLN  88           HG2      GLN  88  -1.497  -3.189  -7.825
  687    HG3  GLN  88           HG3      GLN  88  -0.867  -1.822  -8.751
  688   HE21  GLN  88          HE22      GLN  88  -0.746  -1.922 -10.985
  689   HE22  GLN  88          HE21      GLN  88  -1.319  -3.289 -11.920
  690    H    MET  89           H        MET  89   2.358  -1.365  -8.995
  691    HA   MET  89           HA       MET  89   1.987   1.418  -8.308
  692    HB2  MET  89           HB2      MET  89   2.936  -0.026 -10.812
  693    HB3  MET  89           HB3      MET  89   3.121   1.717 -10.516
  694    HG2  MET  89           HG2      MET  89   4.101  -0.313  -8.478
  695    HG3  MET  89           HG3      MET  89   5.080   0.053  -9.864
  696    HE1  MET  89           HE1      MET  89   6.599   1.876  -6.637
  697    HE2  MET  89           HE2      MET  89   5.574   0.423  -6.602
  698    HE3  MET  89           HE3      MET  89   6.847   0.580  -7.841
  699    H    ALA  90           H        ALA  90   0.495   2.860  -9.143
  700    HA   ALA  90           HA       ALA  90  -1.999   1.828 -10.169
  701    HB1  ALA  90           HB1      ALA  90  -2.675   4.172 -10.109
  702    HB2  ALA  90           HB2      ALA  90  -1.824   3.738  -8.615
  703    HB3  ALA  90           HB3      ALA  90  -0.986   4.680  -9.867
  704    H    ARG  91           H        ARG  91  -3.064   2.655 -12.139
  705    HA   ARG  91           HA       ARG  91  -1.277   3.780 -14.194
  706    HB2  ARG  91           HB2      ARG  91  -1.705   2.186 -15.841
  707    HB3  ARG  91           HB3      ARG  91  -1.355   1.231 -14.401
  708    HG2  ARG  91           HG2      ARG  91  -3.876   1.013 -14.056
  709    HG3  ARG  91           HG3      ARG  91  -4.090   1.824 -15.617
  710    HD2  ARG  91           HD2      ARG  91  -2.665   0.074 -16.689
  711    HD3  ARG  91           HD3      ARG  91  -2.597  -0.785 -15.132
  712    HE   ARG  91           HE       ARG  91  -5.328  -0.306 -15.803
  713   HH11  ARG  91          HH11      ARG  91  -2.575  -2.264 -16.839
  714   HH12  ARG  91          HH12      ARG  91  -3.575  -3.538 -17.494
  715   HH21  ARG  91          HH21      ARG  91  -6.607  -1.953 -16.692
  716   HH22  ARG  91          HH22      ARG  91  -5.861  -3.355 -17.424
  717    H    TYR  92           H        TYR  92  -3.823   4.274 -12.406
  718    HA   TYR  92           HA       TYR  92  -5.465   5.543 -14.559
  719    HB2  TYR  92           HB2      TYR  92  -6.361   4.244 -11.997
  720    HB3  TYR  92           HB3      TYR  92  -7.428   5.101 -13.118
  721    HD1  TYR  92           HD2      TYR  92  -6.232   3.911 -15.730
  722    HD2  TYR  92           HD1      TYR  92  -7.476   2.165 -12.000
  723    HE1  TYR  92           HE2      TYR  92  -6.692   1.772 -16.886
  724    HE2  TYR  92           HE1      TYR  92  -7.933   0.019 -13.150
  725    HH   TYR  92           HH       TYR  92  -7.945  -1.098 -15.131
  726    H    GLY  93           H        GLY  93  -6.844   7.389 -13.554
  727    HA2  GLY  93           HA2      GLY  93  -5.047   8.899 -11.696
  728    HA3  GLY  93           HA3      GLY  93  -5.890   9.620 -13.057
  729    H    ARG  94           H        ARG  94  -6.201  10.890 -10.803
  730    HA   ARG  94           HA       ARG  94  -8.224   9.999  -9.013
  731    HB2  ARG  94           HB2      ARG  94  -8.111  12.239  -8.127
  732    HB3  ARG  94           HB3      ARG  94  -6.472  11.728  -8.572
  733    HG2  ARG  94           HG2      ARG  94  -6.669  12.997 -10.706
  734    HG3  ARG  94           HG3      ARG  94  -8.304  13.517 -10.239
  735    HD2  ARG  94           HD2      ARG  94  -5.734  14.113  -8.730
  736    HD3  ARG  94           HD3      ARG  94  -6.619  15.257  -9.754
  737    HE   ARG  94           HE       ARG  94  -7.317  14.385  -7.041
  738   HH11  ARG  94          HH11      ARG  94  -8.508  15.921 -10.001
  739   HH12  ARG  94          HH12      ARG  94  -9.798  16.765  -9.170
  740   HH21  ARG  94          HH21      ARG  94  -8.975  15.518  -5.999
  741   HH22  ARG  94          HH22      ARG  94 -10.066  16.524  -6.914
  742    HA   PRO  95           HA       PRO  95 -12.250  10.663 -10.561
  743    HB2  PRO  95           HB2      PRO  95 -12.279  12.972  -8.594
  744    HB3  PRO  95           HB3      PRO  95 -13.624  11.869  -9.006
  745    HG2  PRO  95           HG2      PRO  95 -12.125  11.344  -6.838
  746    HG3  PRO  95           HG3      PRO  95 -12.456  10.004  -7.986
  747    HD2  PRO  95           HD2      PRO  95  -9.965  11.666  -7.686
  748    HD3  PRO  95           HD3      PRO  95 -10.107   9.920  -8.039
  749    HA   PRO  96           HA       PRO  96 -11.743  14.193 -13.417
  750    HB2  PRO  96           HB2      PRO  96 -12.612  12.960 -15.654
  751    HB3  PRO  96           HB3      PRO  96 -10.962  12.620 -15.015
  752    HG2  PRO  96           HG2      PRO  96 -13.488  10.983 -14.647
  753    HG3  PRO  96           HG3      PRO  96 -11.849  10.409 -15.110
  754    HD2  PRO  96           HD2      PRO  96 -12.837  10.363 -12.517
  755    HD3  PRO  96           HD3      PRO  96 -11.097  10.528 -12.903
  756    H    ASP  97           H        ASP  97 -14.253  11.847 -12.715
  757    HA   ASP  97           HA       ASP  97 -16.361  13.836 -12.519
  758    HB2  ASP  97           HB2      ASP  97 -16.382  13.296 -14.956
  759    HB3  ASP  97           HB3      ASP  97 -16.526  11.572 -14.561
  760    H    SER  98           H        SER  98 -18.459  12.485 -11.698
  761    HA   SER  98           HA       SER  98 -17.296  10.753  -9.677
  762    HB2  SER  98           HB2      SER  98 -19.578  10.704  -8.725
  763    HB3  SER  98           HB3      SER  98 -18.957  12.350  -8.978
  764    HG   SER  98           HG       SER  98 -21.124  12.085  -9.730
  765    H    HIS  99           H        HIS  99 -19.610  10.269 -12.423
  766    HA   HIS  99           HA       HIS  99 -19.040   7.447 -12.460
  767    HB2  HIS  99           HB2      HIS  99 -20.408   7.690 -10.345
  768    HB3  HIS  99           HB3      HIS  99 -21.750   8.251 -11.341
  769    HD2  HIS  99           HD2      HIS  99 -23.436   6.275 -11.340
  770    HE1  HIS  99           HE1      HIS  99 -20.784   3.047 -12.127
  771    HE2  HIS  99           HE2      HIS  99 -23.218   3.703 -11.788
  772    H    HIS 100           H        HIS 100 -19.565   9.960 -14.246
  773    HA   HIS 100           HA       HIS 100 -21.439   8.578 -16.100
  774    HB2  HIS 100           HB2      HIS 100 -22.545  10.416 -14.822
  775    HB3  HIS 100           HB3      HIS 100 -21.383  11.551 -15.510
  776    HD2  HIS 100           HD2      HIS 100 -23.651   8.789 -17.118
  777    HE1  HIS 100           HE1      HIS 100 -24.201  12.388 -19.321
  778    HE2  HIS 100           HE2      HIS 100 -24.871   9.934 -19.137
  779    H    SER 101           H        SER 101 -18.315   9.640 -15.687
  780    HA   SER 101           HA       SER 101 -17.871   9.653 -18.612
  781    HB2  SER 101           HB2      SER 101 -16.805  11.799 -16.736
  782    HB3  SER 101           HB3      SER 101 -16.351  11.587 -18.436
  783    HG   SER 101           HG       SER 101 -18.000  13.158 -18.154
  784    H5'    U 102           H5'        U 102 -12.525  -4.549 -12.229
  785   H5''    U 102          H5''        U 102 -13.852  -3.452 -11.822
  786    H4'    U 102           H4'        U 102 -11.047  -3.243 -10.615
  787    H3'    U 102           H3'        U 102 -12.649  -5.343 -10.050
  788    H2'    U 102           H2'        U 102 -14.677  -4.114  -9.856
  789   HO2'    U 102          HO2'        U 102 -15.097  -3.891  -7.568
  790    H1'    U 102           H1'        U 102 -13.400  -2.012  -8.138
  791    H3     U 102           H3         U 102 -17.906  -0.826  -8.494
  792    H5     U 102           H5         U 102 -16.105   0.144 -12.165
  793    H6     U 102           H6         U 102 -14.127  -1.058 -11.446
  794   HO5'    U 102          HO5'        U 102 -11.337  -2.737 -12.952
  795    H5'    G 103           H5'        G 103  -8.683  -2.940  -6.834
  796   H5''    G 103          H5''        G 103 -10.379  -2.449  -7.014
  797    H4'    G 103           H4'        G 103  -8.983  -0.482  -6.856
  798    H3'    G 103           H3'        G 103 -10.491  -1.015  -9.350
  799    H2'    G 103           H2'        G 103  -8.825  -0.220 -10.654
  800   HO2'    G 103          HO2'        G 103 -10.159   1.724 -10.261
  801    H1'    G 103           H1'        G 103  -7.589   1.064  -8.209
  802    H8     G 103           H8         G 103  -6.013   2.507  -9.770
  803    H1     G 103           H1         G 103  -3.654  -2.793 -12.515
  804    H21    G 103           H21        G 103  -4.952  -4.537 -12.010
  805    H22    G 103           H22        G 103  -6.367  -4.361 -10.991
  806    H5'    G 104           H5'        G 104 -11.446   4.048  -9.292
  807   H5''    G 104          H5''        G 104 -10.186   3.469  -8.178
  808    H4'    G 104           H4'        G 104 -12.455   4.712  -6.795
  809    H3'    G 104           H3'        G 104 -10.948   6.338  -8.832
  810    H2'    G 104           H2'        G 104 -11.061   8.175  -7.396
  811   HO2'    G 104          HO2'        G 104 -13.302   7.766  -6.777
  812    H1'    G 104           H1'        G 104 -10.444   6.764  -5.103
  813    H8     G 104           H8         G 104  -8.714   8.705  -5.322
  814    H1     G 104           H1         G 104  -5.914   5.739 -10.278
  815    H21    G 104           H21        G 104  -7.124   3.885 -10.795
  816    H22    G 104           H22        G 104  -8.564   3.478  -9.898
  817    H5'    A 105           H5'        A 105 -15.927   9.104  -9.497
  818   H5''    A 105          H5''        A 105 -14.495  10.138  -9.429
  819    H4'    A 105           H4'        A 105 -15.646  11.338  -7.928
  820    H3'    A 105           H3'        A 105 -14.135   9.590  -6.465
  821    H2'    A 105           H2'        A 105 -15.574   7.886  -6.065
  822   HO2'    A 105          HO2'        A 105 -15.391   8.885  -4.003
  823    H1'    A 105           H1'        A 105 -18.119   9.342  -5.911
  824    H8     A 105           H8         A 105 -15.955   6.876  -7.857
  825    H61    A 105           H61        A 105 -21.191   3.599  -8.573
  826    H62    A 105           H62        A 105 -19.457   3.595  -8.843
  827    H2     A 105           H2         A 105 -22.211   7.463  -6.668
  828    H5'    G 106           H5'        G 106 -16.146  10.696  -2.922
  829   H5''    G 106          H5''        G 106 -17.703  11.540  -2.931
  830    H4'    G 106           H4'        G 106 -17.156  11.698  -0.719
  831    H3'    G 106           H3'        G 106 -16.941  14.120  -2.081
  832    H2'    G 106           H2'        G 106 -14.700  14.449  -2.288
  833   HO2'    G 106          HO2'        G 106 -15.059  14.678   0.509
  834    H1'    G 106           H1'        G 106 -13.604  12.853  -0.149
  835    H8     G 106           H8         G 106 -14.061  13.218  -3.967
  836    H1     G 106           H1         G 106  -8.750  10.172  -2.053
  837    H21    G 106           H21        G 106  -8.782   9.915   0.123
  838    H22    G 106           H22        G 106 -10.130  10.442   1.120
  839    H5'    U 107           H5'        U 107 -20.711  15.689  -0.619
  840   H5''    U 107          H5''        U 107 -20.508  15.489  -2.356
  841    H4'    U 107           H4'        U 107 -19.785  17.630  -2.042
  842    H3'    U 107           H3'        U 107 -17.605  15.811  -2.616
  843   HO3'    U 107          HO3'        U 107 -18.505  17.459  -3.971
  844    H2'    U 107           H2'        U 107 -16.499  16.393  -0.623
  845   HO2'    U 107          HO2'        U 107 -16.051  18.576  -2.402
  846    H1'    U 107           H1'        U 107 -17.850  19.056  -1.014
  847    H3     U 107           H3         U 107 -17.070  21.131   2.952
  848    H5     U 107           H5         U 107 -15.095  17.434   3.340
  849    H6     U 107           H6         U 107 -16.082  16.748   1.241
  Start of MODEL   12
    1    H    MET   1           H1       MET   1  -9.504  18.425   9.430
    2    HA   MET   1           HA       MET   1  -8.644  19.429   6.808
    3    HB2  MET   1           HB2      MET   1  -6.877  19.485   8.541
    4    HB3  MET   1           HB3      MET   1  -7.131  17.760   8.857
    5    HG2  MET   1           HG2      MET   1  -6.554  17.250   6.504
    6    HG3  MET   1           HG3      MET   1  -6.294  18.970   6.188
    7    HE1  MET   1           HE1      MET   1  -3.072  19.777   8.195
    8    HE2  MET   1           HE2      MET   1  -4.335  20.381   7.100
    9    HE3  MET   1           HE3      MET   1  -4.736  19.982   8.788
   10    H    SER   2           H        SER   2  -9.030  18.112   5.108
   11    HA   SER   2           HA       SER   2  -9.396  15.217   5.518
   12    HB2  SER   2           HB2      SER   2 -11.556  15.193   4.407
   13    HB3  SER   2           HB3      SER   2 -11.649  16.265   5.823
   14    HG   SER   2           HG       SER   2 -11.439  18.026   4.433
   15    H    TYR   3           H        TYR   3  -9.779  14.162   3.322
   16    HA   TYR   3           HA       TYR   3  -7.715  15.070   1.489
   17    HB2  TYR   3           HB2      TYR   3  -9.720  12.805   1.248
   18    HB3  TYR   3           HB3      TYR   3  -8.239  13.006   0.305
   19    HD1  TYR   3           HD2      TYR   3  -6.021  12.659   1.337
   20    HD2  TYR   3           HD1      TYR   3  -9.654  11.967   3.528
   21    HE1  TYR   3           HE2      TYR   3  -4.749  11.360   3.025
   22    HE2  TYR   3           HE1      TYR   3  -8.393  10.635   5.202
   23    HH   TYR   3           HH       TYR   3  -6.351   9.848   5.853
   24    H    GLY   4           H        GLY   4 -10.661  16.382   1.895
   25    HA2  GLY   4           HA2      GLY   4 -12.175  16.048  -0.408
   26    HA3  GLY   4           HA3      GLY   4 -12.127  17.526   0.548
   27    H    ARG   5           H        ARG   5  -9.444  18.389   0.039
   28    HA   ARG   5           HA       ARG   5  -9.117  18.482  -2.848
   29    HB2  ARG   5           HB2      ARG   5  -9.579  20.865  -3.109
   30    HB3  ARG   5           HB3      ARG   5 -11.002  19.911  -2.688
   31    HG2  ARG   5           HG2      ARG   5 -10.956  20.649  -0.403
   32    HG3  ARG   5           HG3      ARG   5  -9.346  21.412  -0.615
   33    HD2  ARG   5           HD2      ARG   5 -10.348  22.903  -2.324
   34    HD3  ARG   5           HD3      ARG   5 -11.928  22.158  -2.017
   35    HE   ARG   5           HE       ARG   5 -10.399  23.864  -0.084
   36   HH11  ARG   5          HH11      ARG   5 -13.438  22.363  -1.128
   37   HH12  ARG   5          HH12      ARG   5 -14.385  23.201   0.080
   38   HH21  ARG   5          HH21      ARG   5 -11.685  24.962   1.440
   39   HH22  ARG   5          HH22      ARG   5 -13.407  24.685   1.501
   40    HA   PRO   6           HA       PRO   6  -5.508  20.402  -0.364
   41    HB2  PRO   6           HB2      PRO   6  -4.026  18.321   0.607
   42    HB3  PRO   6           HB3      PRO   6  -5.341  19.085   1.558
   43    HG2  PRO   6           HG2      PRO   6  -5.472  16.559  -0.112
   44    HG3  PRO   6           HG3      PRO   6  -6.062  16.816   1.563
   45    HD2  PRO   6           HD2      PRO   6  -7.706  16.975  -0.622
   46    HD3  PRO   6           HD3      PRO   6  -7.928  18.041   0.806
   47    HA   PRO   7           HA       PRO   7  -3.604  19.455  -4.253
   48    HB2  PRO   7           HB2      PRO   7  -1.249  20.823  -4.039
   49    HB3  PRO   7           HB3      PRO   7  -2.843  21.641  -4.162
   50    HG2  PRO   7           HG2      PRO   7  -1.240  21.046  -1.660
   51    HG3  PRO   7           HG3      PRO   7  -2.017  22.592  -2.140
   52    HD2  PRO   7           HD2      PRO   7  -3.200  20.825  -0.420
   53    HD3  PRO   7           HD3      PRO   7  -4.161  21.780  -1.591
   54    HA   PRO   8           HA       PRO   8  -0.902  16.025  -2.984
   55    HB2  PRO   8           HB2      PRO   8  -1.550  14.285  -4.894
   56    HB3  PRO   8           HB3      PRO   8  -2.803  14.781  -3.712
   57    HG2  PRO   8           HG2      PRO   8  -2.347  15.935  -6.487
   58    HG3  PRO   8           HG3      PRO   8  -3.877  15.285  -5.804
   59    HD2  PRO   8           HD2      PRO   8  -3.198  17.968  -5.734
   60    HD3  PRO   8           HD3      PRO   8  -4.172  17.178  -4.459
   61    H    ASP   9           H        ASP   9   0.416  14.533  -4.902
   62    HA   ASP   9           HA       ASP   9   1.736  16.446  -6.743
   63    HB2  ASP   9           HB2      ASP   9   3.113  14.520  -4.826
   64    HB3  ASP   9           HB3      ASP   9   3.924  15.425  -6.115
   65    H    VAL  10           H        VAL  10  -0.341  14.325  -7.035
   66    HA   VAL  10           HA       VAL  10   0.660  11.931  -8.100
   67    HB   VAL  10           HB       VAL  10  -1.506  11.759  -9.245
   68   HG11  VAL  10          HG11      VAL  10  -1.844  13.092  -6.522
   69   HG12  VAL  10          HG12      VAL  10  -3.000  12.013  -7.319
   70   HG13  VAL  10          HG13      VAL  10  -1.437  11.378  -6.777
   71   HG21  VAL  10          HG21      VAL  10  -1.702  14.071 -10.099
   72   HG22  VAL  10          HG22      VAL  10  -3.131  13.632  -9.157
   73   HG23  VAL  10          HG23      VAL  10  -1.894  14.679  -8.433
   74    H    GLU  11           H        GLU  11   0.966  15.110  -9.358
   75    HA   GLU  11           HA       GLU  11   1.082  14.464 -12.159
   76    HB2  GLU  11           HB2      GLU  11   1.926  16.763 -12.354
   77    HB3  GLU  11           HB3      GLU  11   0.513  16.695 -11.276
   78    HG2  GLU  11           HG2      GLU  11   1.982  16.721  -9.307
   79    HG3  GLU  11           HG3      GLU  11   3.409  16.791 -10.352
   80    H    GLY  12           H        GLY  12   3.181  13.575  -9.670
   81    HA2  GLY  12           HA2      GLY  12   5.282  12.808 -11.443
   82    HA3  GLY  12           HA3      GLY  12   5.727  14.312 -10.623
   83    H    MET  13           H        MET  13   3.822  11.525  -9.303
   84    HA   MET  13           HA       MET  13   6.123  10.930  -7.522
   85    HB2  MET  13           HB2      MET  13   4.835  11.035  -5.560
   86    HB3  MET  13           HB3      MET  13   4.429  12.508  -6.452
   87    HG2  MET  13           HG2      MET  13   2.434  11.198  -7.402
   88    HG3  MET  13           HG3      MET  13   2.804   9.956  -6.203
   89    HE1  MET  13           HE1      MET  13  -0.222  11.205  -4.340
   90    HE2  MET  13           HE2      MET  13   0.155  10.463  -5.922
   91    HE3  MET  13           HE3      MET  13   0.936   9.858  -4.441
   92    H    THR  14           H        THR  14   5.888   8.817  -6.388
   93    HA   THR  14           HA       THR  14   5.044   6.785  -8.270
   94    HB   THR  14           HB       THR  14   6.059   6.489  -5.435
   95   HG21  THR  14          HG21      THR  14   6.603   4.185  -6.231
   96   HG22  THR  14          HG22      THR  14   4.856   4.484  -6.319
   97   HG23  THR  14          HG23      THR  14   5.831   4.552  -7.794
   98    H    SER  15           H        SER  15   2.847   7.256  -8.388
   99    HA   SER  15           HA       SER  15   0.955   7.224  -6.230
  100    HB2  SER  15           HB2      SER  15   0.663   6.821  -9.227
  101    HB3  SER  15           HB3      SER  15  -0.705   6.894  -8.092
  102    HG   SER  15           HG       SER  15   1.242   8.908  -8.571
  103    H    LEU  16           H        LEU  16   2.039   5.261  -5.205
  104    HA   LEU  16           HA       LEU  16   1.333   2.685  -6.485
  105    HB2  LEU  16           HB2      LEU  16   3.479   2.836  -5.552
  106    HB3  LEU  16           HB3      LEU  16   2.907   3.486  -4.025
  107    HG   LEU  16           HG       LEU  16   3.724   1.144  -3.938
  108   HD11  LEU  16          HD11      LEU  16   0.796   1.291  -3.151
  109   HD12  LEU  16          HD12      LEU  16   2.104   0.327  -2.436
  110   HD13  LEU  16          HD13      LEU  16   2.123   2.091  -2.269
  111   HD21  LEU  16          HD21      LEU  16   2.836   0.432  -6.136
  112   HD22  LEU  16          HD22      LEU  16   2.439  -0.676  -4.809
  113   HD23  LEU  16          HD23      LEU  16   1.194   0.429  -5.439
  114    H    LYS  17           H        LYS  17  -0.348   1.412  -5.912
  115    HA   LYS  17           HA       LYS  17  -2.158   2.548  -3.836
  116    HB2  LYS  17           HB2      LYS  17  -4.032   2.408  -5.362
  117    HB3  LYS  17           HB3      LYS  17  -2.732   3.377  -6.081
  118    HG2  LYS  17           HG2      LYS  17  -3.253   2.066  -7.903
  119    HG3  LYS  17           HG3      LYS  17  -2.032   1.029  -7.144
  120    HD2  LYS  17           HD2      LYS  17  -4.154   0.023  -5.877
  121    HD3  LYS  17           HD3      LYS  17  -5.035   0.770  -7.222
  122    HE2  LYS  17           HE2      LYS  17  -3.625  -0.497  -8.827
  123    HE3  LYS  17           HE3      LYS  17  -2.714  -1.188  -7.473
  124    HZ1  LYS  17           HZ1      LYS  17  -5.562  -1.620  -8.052
  125    HZ2  LYS  17           HZ2      LYS  17  -4.362  -2.742  -8.132
  126    HZ3  LYS  17           HZ3      LYS  17  -4.843  -2.108  -6.681
  127    H    VAL  18           H        VAL  18  -3.768   1.245  -3.001
  128    HA   VAL  18           HA       VAL  18  -3.201  -1.697  -3.234
  129    HB   VAL  18           HB       VAL  18  -2.115  -0.608  -1.201
  130   HG11  VAL  18          HG11      VAL  18  -4.919  -0.625  -0.051
  131   HG12  VAL  18          HG12      VAL  18  -3.430   0.126   0.581
  132   HG13  VAL  18          HG13      VAL  18  -4.274   0.805  -0.847
  133   HG21  VAL  18          HG21      VAL  18  -2.618  -2.502   0.186
  134   HG22  VAL  18          HG22      VAL  18  -4.269  -2.635  -0.436
  135   HG23  VAL  18          HG23      VAL  18  -2.919  -3.104  -1.473
  136    H    ASP  19           H        ASP  19  -4.822  -3.087  -2.641
  137    HA   ASP  19           HA       ASP  19  -7.554  -2.140  -2.108
  138    HB2  ASP  19           HB2      ASP  19  -6.822  -3.706  -4.620
  139    HB3  ASP  19           HB3      ASP  19  -8.458  -3.275  -4.103
  140    H    ASN  20           H        ASN  20  -8.986  -4.362  -2.405
  141    HA   ASN  20           HA       ASN  20  -9.308  -6.592  -2.096
  142    HB2  ASN  20           HB2      ASN  20  -6.870  -6.740  -2.951
  143    HB3  ASN  20           HB3      ASN  20  -6.445  -7.032  -1.250
  144   HD21  ASN  20          HD22      ASN  20  -5.867  -9.159  -1.329
  145   HD22  ASN  20          HD21      ASN  20  -6.863 -10.434  -2.006
  146    H    LEU  21           H        LEU  21  -9.634  -4.515  -0.104
  147    HA   LEU  21           HA       LEU  21  -8.840  -5.221   2.505
  148    HB2  LEU  21           HB2      LEU  21 -11.280  -3.823   1.346
  149    HB3  LEU  21           HB3      LEU  21 -11.040  -3.991   3.071
  150    HG   LEU  21           HG       LEU  21 -10.318  -1.807   1.842
  151   HD11  LEU  21          HD11      LEU  21  -8.525  -3.177   3.868
  152   HD12  LEU  21          HD12      LEU  21  -8.659  -1.421   3.579
  153   HD13  LEU  21          HD13      LEU  21 -10.047  -2.316   4.228
  154   HD21  LEU  21          HD21      LEU  21  -8.776  -2.822   0.185
  155   HD22  LEU  21          HD22      LEU  21  -7.918  -1.728   1.286
  156   HD23  LEU  21          HD23      LEU  21  -7.780  -3.473   1.525
  157    H    THR  22           H        THR  22  -9.483  -6.735   3.904
  158    HA   THR  22           HA       THR  22 -11.369  -8.754   3.028
  159    HB   THR  22           HB       THR  22  -9.927  -8.451   5.700
  160   HG21  THR  22          HG21      THR  22 -11.171 -10.802   4.234
  161   HG22  THR  22          HG22      THR  22 -10.013 -10.991   5.574
  162   HG23  THR  22          HG23      THR  22 -11.569 -10.196   5.871
  163    H    TYR  23           H        TYR  23 -13.048  -9.517   4.740
  164    HA   TYR  23           HA       TYR  23 -15.013  -7.514   4.940
  165    HB2  TYR  23           HB2      TYR  23 -16.330  -9.243   6.037
  166    HB3  TYR  23           HB3      TYR  23 -15.438  -9.930   4.684
  167    HD1  TYR  23           HD2      TYR  23 -13.560 -11.492   5.073
  168    HD2  TYR  23           HD1      TYR  23 -15.814  -9.828   8.340
  169    HE1  TYR  23           HE2      TYR  23 -12.607 -13.194   6.601
  170    HE2  TYR  23           HE1      TYR  23 -14.850 -11.515   9.873
  171    HH   TYR  23           HH       TYR  23 -13.446 -13.310  10.080
  172    H    ARG  24           H        ARG  24 -12.333  -7.589   6.893
  173    HA   ARG  24           HA       ARG  24 -13.846  -6.549   9.252
  174    HB2  ARG  24           HB2      ARG  24 -12.317  -7.650  10.710
  175    HB3  ARG  24           HB3      ARG  24 -12.820  -8.857   9.511
  176    HG2  ARG  24           HG2      ARG  24 -10.717  -8.264   8.190
  177    HG3  ARG  24           HG3      ARG  24 -10.213  -7.282   9.582
  178    HD2  ARG  24           HD2      ARG  24 -10.597  -9.413  10.989
  179    HD3  ARG  24           HD3      ARG  24 -10.670 -10.274   9.441
  180    HE   ARG  24           HE       ARG  24  -8.317  -9.212  10.790
  181   HH11  ARG  24          HH11      ARG  24  -9.633 -10.129   7.645
  182   HH12  ARG  24          HH12      ARG  24  -8.049 -10.245   6.898
  183   HH21  ARG  24          HH21      ARG  24  -6.271  -9.426   9.791
  184   HH22  ARG  24          HH22      ARG  24  -6.178  -9.872   8.105
  185    H    THR  25           H        THR  25 -12.286  -5.350   6.765
  186    HA   THR  25           HA       THR  25 -10.402  -3.683   8.369
  187    HB   THR  25           HB       THR  25 -10.148  -4.208   5.396
  188   HG21  THR  25          HG21      THR  25  -8.212  -3.477   7.646
  189   HG22  THR  25          HG22      THR  25  -7.731  -3.802   5.967
  190   HG23  THR  25          HG23      THR  25  -8.745  -2.396   6.335
  191    H    SER  26           H        SER  26  -9.989  -1.491   7.385
  192    HA   SER  26           HA       SER  26 -12.289  -0.247   6.021
  193    HB2  SER  26           HB2      SER  26 -12.667   1.313   7.897
  194    HB3  SER  26           HB3      SER  26 -12.833  -0.346   8.482
  195    HG   SER  26           HG       SER  26 -11.517   0.920   9.848
  196    HA   PRO  27           HA       PRO  27  -9.057   2.274   4.480
  197    HB2  PRO  27           HB2      PRO  27 -10.066   4.818   4.297
  198    HB3  PRO  27           HB3      PRO  27 -10.630   3.455   3.275
  199    HG2  PRO  27           HG2      PRO  27 -11.877   4.537   5.824
  200    HG3  PRO  27           HG3      PRO  27 -12.691   4.138   4.273
  201    HD2  PRO  27           HD2      PRO  27 -12.681   2.421   6.378
  202    HD3  PRO  27           HD3      PRO  27 -12.572   1.818   4.703
  203    H    ASP  28           H        ASP  28 -10.462   3.365   7.570
  204    HA   ASP  28           HA       ASP  28  -8.303   5.182   8.206
  205    HB2  ASP  28           HB2      ASP  28 -10.566   5.141   9.332
  206    HB3  ASP  28           HB3      ASP  28 -10.078   3.615  10.112
  207    H    THR  29           H        THR  29  -8.861   1.674   8.591
  208    HA   THR  29           HA       THR  29  -6.446   1.315  10.188
  209    HB   THR  29           HB       THR  29  -8.133  -0.694   8.627
  210   HG21  THR  29          HG21      THR  29  -5.982  -1.008  10.758
  211   HG22  THR  29          HG22      THR  29  -7.030  -2.327  10.167
  212   HG23  THR  29          HG23      THR  29  -5.890  -1.529   9.060
  213    H    LEU  30           H        LEU  30  -7.394   0.855   6.731
  214    HA   LEU  30           HA       LEU  30  -4.913  -0.170   5.883
  215    HB2  LEU  30           HB2      LEU  30  -7.371   0.656   4.732
  216    HB3  LEU  30           HB3      LEU  30  -6.136   1.629   3.922
  217    HG   LEU  30           HG       LEU  30  -6.733  -0.514   2.775
  218   HD11  LEU  30          HD11      LEU  30  -3.875  -0.178   3.722
  219   HD12  LEU  30          HD12      LEU  30  -4.376  -1.153   2.312
  220   HD13  LEU  30          HD13      LEU  30  -4.632   0.609   2.318
  221   HD21  LEU  30          HD21      LEU  30  -6.902  -1.864   4.937
  222   HD22  LEU  30          HD22      LEU  30  -5.997  -2.631   3.605
  223   HD23  LEU  30          HD23      LEU  30  -5.129  -1.899   4.963
  224    H    ARG  31           H        ARG  31  -5.766   3.028   6.925
  225    HA   ARG  31           HA       ARG  31  -3.540   4.366   5.593
  226    HB2  ARG  31           HB2      ARG  31  -5.557   5.620   6.155
  227    HB3  ARG  31           HB3      ARG  31  -5.413   5.144   7.853
  228    HG2  ARG  31           HG2      ARG  31  -4.651   7.477   7.458
  229    HG3  ARG  31           HG3      ARG  31  -3.389   6.444   8.141
  230    HD2  ARG  31           HD2      ARG  31  -2.436   6.155   5.839
  231    HD3  ARG  31           HD3      ARG  31  -3.670   7.277   5.227
  232    HE   ARG  31           HE       ARG  31  -1.672   8.038   7.326
  233   HH11  ARG  31          HH11      ARG  31  -3.378   8.795   4.315
  234   HH12  ARG  31          HH12      ARG  31  -2.524  10.313   4.111
  235   HH21  ARG  31          HH21      ARG  31  -0.661   9.988   7.056
  236   HH22  ARG  31          HH22      ARG  31  -1.021  11.015   5.683
  237    H    ARG  32           H        ARG  32  -4.317   3.569   9.045
  238    HA   ARG  32           HA       ARG  32  -1.770   4.368  10.021
  239    HB2  ARG  32           HB2      ARG  32  -2.467   3.534  12.068
  240    HB3  ARG  32           HB3      ARG  32  -4.020   3.817  11.254
  241    HG2  ARG  32           HG2      ARG  32  -4.009   1.438  10.506
  242    HG3  ARG  32           HG3      ARG  32  -2.526   1.156  11.461
  243    HD2  ARG  32           HD2      ARG  32  -5.179   2.085  12.543
  244    HD3  ARG  32           HD3      ARG  32  -4.543   0.411  12.572
  245    HE   ARG  32           HE       ARG  32  -2.590   2.045  13.773
  246   HH11  ARG  32          HH11      ARG  32  -5.938   1.091  14.431
  247   HH12  ARG  32          HH12      ARG  32  -5.765   1.276  16.161
  248   HH21  ARG  32          HH21      ARG  32  -2.411   2.282  16.032
  249   HH22  ARG  32          HH22      ARG  32  -3.774   1.936  17.066
  250    H    VAL  33           H        VAL  33  -2.887   1.392   8.500
  251    HA   VAL  33           HA       VAL  33  -0.773  -0.257   9.535
  252    HB   VAL  33           HB       VAL  33  -2.856  -0.612   7.360
  253   HG11  VAL  33          HG11      VAL  33  -0.943  -2.013   6.751
  254   HG12  VAL  33          HG12      VAL  33  -0.834  -2.627   8.419
  255   HG13  VAL  33          HG13      VAL  33  -2.248  -3.018   7.410
  256   HG21  VAL  33          HG21      VAL  33  -3.608  -0.544   9.750
  257   HG22  VAL  33          HG22      VAL  33  -3.828  -2.148   9.018
  258   HG23  VAL  33          HG23      VAL  33  -2.466  -1.847  10.128
  259    H    PHE  34           H        PHE  34  -1.328   1.629   6.525
  260    HA   PHE  34           HA       PHE  34   1.232   0.625   5.405
  261    HB2  PHE  34           HB2      PHE  34  -1.240   1.964   4.365
  262    HB3  PHE  34           HB3      PHE  34   0.244   2.201   3.487
  263    HD1  PHE  34           HD2      PHE  34  -2.111  -0.401   4.715
  264    HD2  PHE  34           HD1      PHE  34   1.199   0.468   2.115
  265    HE1  PHE  34           HE2      PHE  34  -2.471  -2.553   3.530
  266    HE2  PHE  34           HE1      PHE  34   0.837  -1.684   0.929
  267    HZ   PHE  34           HZ       PHE  34  -1.003  -3.184   1.630
  268    H    GLU  35           H        GLU  35   0.053   3.308   7.227
  269    HA   GLU  35           HA       GLU  35   1.751   5.337   6.083
  270    HB2  GLU  35           HB2      GLU  35  -0.233   5.885   7.378
  271    HB3  GLU  35           HB3      GLU  35   0.414   5.034   8.799
  272    HG2  GLU  35           HG2      GLU  35   2.187   6.669   9.040
  273    HG3  GLU  35           HG3      GLU  35   1.733   7.452   7.510
  274    H    LYS  36           H        LYS  36   2.299   2.697   8.360
  275    HA   LYS  36           HA       LYS  36   4.566   3.887   9.665
  276    HB2  LYS  36           HB2      LYS  36   4.972   1.666  10.555
  277    HB3  LYS  36           HB3      LYS  36   3.237   2.052  10.642
  278    HG2  LYS  36           HG2      LYS  36   2.856   0.704   8.589
  279    HG3  LYS  36           HG3      LYS  36   4.587   0.288   8.554
  280    HD2  LYS  36           HD2      LYS  36   4.382  -0.733  10.801
  281    HD3  LYS  36           HD3      LYS  36   2.654  -0.323  10.827
  282    HE2  LYS  36           HE2      LYS  36   2.301  -1.717   8.797
  283    HE3  LYS  36           HE3      LYS  36   4.027  -2.123   8.788
  284    HZ1  LYS  36           HZ1      LYS  36   2.709  -3.836   9.845
  285    HZ2  LYS  36           HZ2      LYS  36   3.737  -3.158  10.928
  286    HZ3  LYS  36           HZ3      LYS  36   2.134  -2.772  10.951
  287    H    TYR  37           H        TYR  37   4.182   2.261   6.609
  288    HA   TYR  37           HA       TYR  37   6.979   1.564   6.284
  289    HB2  TYR  37           HB2      TYR  37   4.701   1.893   4.292
  290    HB3  TYR  37           HB3      TYR  37   6.304   1.290   3.881
  291    HD1  TYR  37           HD1      TYR  37   3.266   0.570   5.902
  292    HD2  TYR  37           HD2      TYR  37   6.959  -0.944   4.317
  293    HE1  TYR  37           HE1      TYR  37   2.592  -1.699   6.560
  294    HE2  TYR  37           HE2      TYR  37   6.285  -3.258   4.967
  295    HH   TYR  37           HH       TYR  37   3.201  -3.942   6.630
  296    H    GLY  38           H        GLY  38   5.181   4.528   6.013
  297    HA2  GLY  38           HA2      GLY  38   7.422   6.159   5.852
  298    HA3  GLY  38           HA3      GLY  38   6.989   5.848   4.167
  299    H    ARG  39           H        ARG  39   4.932   6.547   3.356
  300    HA   ARG  39           HA       ARG  39   3.091   8.036   5.035
  301    HB2  ARG  39           HB2      ARG  39   3.373  10.159   3.727
  302    HB3  ARG  39           HB3      ARG  39   4.701   9.795   4.836
  303    HG2  ARG  39           HG2      ARG  39   6.101   9.015   2.979
  304    HG3  ARG  39           HG3      ARG  39   4.735   9.172   1.856
  305    HD2  ARG  39           HD2      ARG  39   6.153  11.128   1.596
  306    HD3  ARG  39           HD3      ARG  39   4.651  11.625   2.383
  307    HE   ARG  39           HE       ARG  39   5.810  12.040   4.377
  308   HH11  ARG  39          HH11      ARG  39   7.952  10.560   1.974
  309   HH12  ARG  39          HH12      ARG  39   9.401  10.900   2.883
  310   HH21  ARG  39          HH21      ARG  39   7.721  12.475   5.535
  311   HH22  ARG  39          HH22      ARG  39   9.275  12.003   4.890
  312    H    VAL  40           H        VAL  40   1.298   8.914   3.816
  313    HA   VAL  40           HA       VAL  40   0.827   7.564   1.206
  314    HB   VAL  40           HB       VAL  40  -1.081   7.525   3.586
  315   HG11  VAL  40          HG11      VAL  40  -1.171   6.134   0.875
  316   HG12  VAL  40          HG12      VAL  40  -2.362   5.941   2.187
  317   HG13  VAL  40          HG13      VAL  40  -2.181   7.508   1.374
  318   HG21  VAL  40          HG21      VAL  40   0.793   6.007   4.055
  319   HG22  VAL  40          HG22      VAL  40  -0.647   5.068   3.638
  320   HG23  VAL  40          HG23      VAL  40   0.642   5.302   2.428
  321    H    GLY  41           H        GLY  41  -0.393   8.840  -0.189
  322    HA2  GLY  41           HA2      GLY  41  -0.723  11.635   0.650
  323    HA3  GLY  41           HA3      GLY  41  -0.864  10.974  -0.992
  324    H    ASP  42           H        ASP  42  -2.779   8.855  -0.375
  325    HA   ASP  42           HA       ASP  42  -4.930   9.958   1.163
  326    HB2  ASP  42           HB2      ASP  42  -6.570  10.143  -0.726
  327    HB3  ASP  42           HB3      ASP  42  -5.351  11.408  -0.645
  328    H    VAL  43           H        VAL  43  -6.811   8.634   1.184
  329    HA   VAL  43           HA       VAL  43  -6.705   5.897   0.159
  330    HB   VAL  43           HB       VAL  43  -5.276   5.372   1.880
  331   HG11  VAL  43          HG11      VAL  43  -6.654   7.344   3.737
  332   HG12  VAL  43          HG12      VAL  43  -5.292   6.267   4.140
  333   HG13  VAL  43          HG13      VAL  43  -5.055   7.542   2.950
  334   HG21  VAL  43          HG21      VAL  43  -7.495   4.132   2.093
  335   HG22  VAL  43          HG22      VAL  43  -6.484   4.172   3.555
  336   HG23  VAL  43          HG23      VAL  43  -7.892   5.243   3.420
  337    H    TYR  44           H        TYR  44  -8.761   5.594  -0.432
  338    HA   TYR  44           HA       TYR  44 -10.839   6.010   1.545
  339    HB2  TYR  44           HB2      TYR  44 -12.216   7.519   0.312
  340    HB3  TYR  44           HB3      TYR  44 -10.681   8.240   0.738
  341    HD1  TYR  44           HD2      TYR  44  -9.932   6.220  -2.118
  342    HD2  TYR  44           HD1      TYR  44 -11.932   9.871  -0.924
  343    HE1  TYR  44           HE2      TYR  44  -9.805   6.998  -4.360
  344    HE2  TYR  44           HE1      TYR  44 -11.749  10.695  -3.241
  345    HH   TYR  44           HH       TYR  44 -11.127  10.234  -5.373
  346    H    ILE  45           H        ILE  45 -13.091   5.660   0.374
  347    HA   ILE  45           HA       ILE  45 -12.822   3.194  -1.250
  348    HB   ILE  45           HB       ILE  45 -14.481   3.612   1.273
  349   HG12  ILE  45          HG12      ILE  45 -12.082   1.893   0.566
  350   HG13  ILE  45          HG13      ILE  45 -12.169   3.168   1.794
  351   HG21  ILE  45          HG21      ILE  45 -14.316   1.130  -0.491
  352   HG22  ILE  45          HG22      ILE  45 -15.254   1.321   1.005
  353   HG23  ILE  45          HG23      ILE  45 -15.710   2.246  -0.429
  354   HD11  ILE  45          HD11      ILE  45 -13.541   0.445   1.865
  355   HD12  ILE  45          HD12      ILE  45 -12.216   1.012   2.886
  356   HD13  ILE  45          HD13      ILE  45 -13.832   1.744   3.051
  357    HA   PRO  46           HA       PRO  46 -15.675   6.138  -3.178
  358    HB2  PRO  46           HB2      PRO  46 -15.015   5.632  -5.768
  359    HB3  PRO  46           HB3      PRO  46 -13.884   6.470  -4.645
  360    HG2  PRO  46           HG2      PRO  46 -13.951   3.515  -5.364
  361    HG3  PRO  46           HG3      PRO  46 -12.542   4.632  -5.421
  362    HD2  PRO  46           HD2      PRO  46 -13.053   3.014  -3.281
  363    HD3  PRO  46           HD3      PRO  46 -12.343   4.650  -3.088
  364    H    ARG  47           H        ARG  47 -16.079   2.900  -2.718
  365    HA   ARG  47           HA       ARG  47 -17.601   1.953  -4.866
  366    HB2  ARG  47           HB2      ARG  47 -16.748   0.832  -2.693
  367    HB3  ARG  47           HB3      ARG  47 -18.282   1.336  -1.974
  368    HG2  ARG  47           HG2      ARG  47 -18.003  -0.376  -4.490
  369    HG3  ARG  47           HG3      ARG  47 -18.219  -1.013  -2.851
  370    HD2  ARG  47           HD2      ARG  47 -20.369   0.243  -2.676
  371    HD3  ARG  47           HD3      ARG  47 -20.195   0.712  -4.387
  372    HE   ARG  47           HE       ARG  47 -19.944  -2.037  -4.403
  373   HH11  ARG  47          HH11      ARG  47 -22.372   0.262  -3.253
  374   HH12  ARG  47          HH12      ARG  47 -23.706  -0.836  -3.518
  375   HH21  ARG  47          HH21      ARG  47 -21.717  -3.457  -4.723
  376   HH22  ARG  47          HH22      ARG  47 -23.338  -2.931  -4.341
  377    H    ASP  48           H        ASP  48 -18.679   3.873  -2.022
  378    HA   ASP  48           HA       ASP  48 -20.703   5.152  -3.715
  379    HB2  ASP  48           HB2      ASP  48 -21.371   3.753  -1.101
  380    HB3  ASP  48           HB3      ASP  48 -22.415   4.944  -1.908
  381    H    ARG  49           H        ARG  49 -20.327   7.247  -3.454
  382    HA   ARG  49           HA       ARG  49 -18.323   8.084  -1.616
  383    HB2  ARG  49           HB2      ARG  49 -18.291  10.059  -2.889
  384    HB3  ARG  49           HB3      ARG  49 -18.735   8.734  -3.998
  385    HG2  ARG  49           HG2      ARG  49 -21.078   9.410  -3.937
  386    HG3  ARG  49           HG3      ARG  49 -20.680  10.755  -2.839
  387    HD2  ARG  49           HD2      ARG  49 -19.674  10.324  -5.692
  388    HD3  ARG  49           HD3      ARG  49 -20.809  11.563  -5.154
  389    HE   ARG  49           HE       ARG  49 -17.950  11.718  -5.085
  390   HH11  ARG  49          HH11      ARG  49 -20.774  12.665  -3.154
  391   HH12  ARG  49          HH12      ARG  49 -19.914  13.979  -2.378
  392   HH21  ARG  49          HH21      ARG  49 -16.925  13.456  -4.123
  393   HH22  ARG  49          HH22      ARG  49 -17.737  14.413  -2.905
  394    H    TYR  50           H        TYR  50 -21.207   7.411  -0.589
  395    HA   TYR  50           HA       TYR  50 -21.299   9.610   1.393
  396    HB2  TYR  50           HB2      TYR  50 -23.833   9.706   0.986
  397    HB3  TYR  50           HB3      TYR  50 -22.807  10.432  -0.261
  398    HD1  TYR  50           HD2      TYR  50 -22.423   9.378  -2.370
  399    HD2  TYR  50           HD1      TYR  50 -25.072   7.634   0.509
  400    HE1  TYR  50           HE2      TYR  50 -23.145   7.753  -4.073
  401    HE2  TYR  50           HE1      TYR  50 -25.867   6.013  -1.177
  402    HH   TYR  50           HH       TYR  50 -25.699   5.292  -3.368
  403    H    THR  51           H        THR  51 -21.219   6.319   0.777
  404    HA   THR  51           HA       THR  51 -22.427   5.856   3.462
  405    HB   THR  51           HB       THR  51 -23.265   3.737   2.874
  406   HG21  THR  51          HG21      THR  51 -24.916   4.220   1.167
  407   HG22  THR  51          HG22      THR  51 -24.643   5.704   2.114
  408   HG23  THR  51          HG23      THR  51 -23.910   5.508   0.494
  409    H    LYS  52           H        LYS  52 -20.015   5.027   1.000
  410    HA   LYS  52           HA       LYS  52 -18.228   3.655   0.981
  411    HB2  LYS  52           HB2      LYS  52 -16.383   4.589   2.294
  412    HB3  LYS  52           HB3      LYS  52 -17.313   5.822   1.446
  413    HG2  LYS  52           HG2      LYS  52 -18.047   5.211   4.311
  414    HG3  LYS  52           HG3      LYS  52 -16.543   6.082   3.999
  415    HD2  LYS  52           HD2      LYS  52 -19.245   6.993   2.927
  416    HD3  LYS  52           HD3      LYS  52 -18.497   7.573   4.427
  417    HE2  LYS  52           HE2      LYS  52 -16.495   8.290   3.135
  418    HE3  LYS  52           HE3      LYS  52 -17.299   7.794   1.636
  419    HZ1  LYS  52           HZ1      LYS  52 -19.014   9.408   2.084
  420    HZ2  LYS  52           HZ2      LYS  52 -18.293   9.849   3.497
  421    HZ3  LYS  52           HZ3      LYS  52 -17.552  10.146   2.064
  422    H    GLU  53           H        GLU  53 -20.144   2.151   2.257
  423    HA   GLU  53           HA       GLU  53 -18.514   0.803   4.346
  424    HB2  GLU  53           HB2      GLU  53 -20.501   0.399   5.680
  425    HB3  GLU  53           HB3      GLU  53 -20.288   2.136   5.411
  426    HG2  GLU  53           HG2      GLU  53 -21.960   2.035   3.567
  427    HG3  GLU  53           HG3      GLU  53 -22.191   0.306   3.882
  428    H    SER  54           H        SER  54 -19.812   0.415   1.304
  429    HA   SER  54           HA       SER  54 -20.923  -2.218   1.451
  430    HB2  SER  54           HB2      SER  54 -20.929  -0.608  -0.543
  431    HB3  SER  54           HB3      SER  54 -19.224  -1.064  -0.789
  432    HG   SER  54           HG       SER  54 -19.921  -3.234  -0.995
  433    H    ARG  55           H        ARG  55 -17.657  -0.938   0.959
  434    HA   ARG  55           HA       ARG  55 -15.588  -1.718   1.105
  435    HB2  ARG  55           HB2      ARG  55 -16.802  -3.721   3.035
  436    HB3  ARG  55           HB3      ARG  55 -15.076  -3.380   2.837
  437    HG2  ARG  55           HG2      ARG  55 -15.475  -0.998   3.418
  438    HG3  ARG  55           HG3      ARG  55 -17.195  -1.372   3.715
  439    HD2  ARG  55           HD2      ARG  55 -14.815  -2.599   5.152
  440    HD3  ARG  55           HD3      ARG  55 -15.876  -1.347   5.810
  441    HE   ARG  55           HE       ARG  55 -17.706  -3.221   5.283
  442   HH11  ARG  55          HH11      ARG  55 -14.500  -3.594   6.728
  443   HH12  ARG  55          HH12      ARG  55 -14.959  -5.012   7.649
  444   HH21  ARG  55          HH21      ARG  55 -18.252  -5.080   6.467
  445   HH22  ARG  55          HH22      ARG  55 -17.054  -5.869   7.473
  446    H    GLY  56           H        GLY  56 -14.096  -3.217   0.612
  447    HA2  GLY  56           HA2      GLY  56 -14.078  -5.792  -0.202
  448    HA3  GLY  56           HA3      GLY  56 -14.798  -4.981  -1.616
  449    H    PHE  57           H        PHE  57 -13.254  -2.472  -0.817
  450    HA   PHE  57           HA       PHE  57 -10.436  -3.106  -1.080
  451    HB2  PHE  57           HB2      PHE  57 -10.099  -2.052  -3.214
  452    HB3  PHE  57           HB3      PHE  57 -11.234  -3.388  -3.420
  453    HD1  PHE  57           HD1      PHE  57 -13.843  -2.615  -3.146
  454    HD2  PHE  57           HD2      PHE  57 -10.562  -0.093  -4.337
  455    HE1  PHE  57           HE1      PHE  57 -15.428  -1.063  -4.218
  456    HE2  PHE  57           HE2      PHE  57 -12.140   1.426  -5.468
  457    HZ   PHE  57           HZ       PHE  57 -14.588   0.970  -5.383
  458    H    ALA  58           H        ALA  58  -9.162  -1.042  -1.156
  459    HA   ALA  58           HA       ALA  58 -10.560   1.456  -0.609
  460    HB1  ALA  58           HB1      ALA  58  -8.669   0.264   1.474
  461    HB2  ALA  58           HB2      ALA  58  -9.402   1.879   1.515
  462    HB3  ALA  58           HB3      ALA  58 -10.436   0.435   1.662
  463    H    PHE  59           H        PHE  59  -9.655   2.317  -2.370
  464    HA   PHE  59           HA       PHE  59  -6.975   1.745  -3.265
  465    HB2  PHE  59           HB2      PHE  59  -8.752   2.308  -4.809
  466    HB3  PHE  59           HB3      PHE  59  -9.054   3.835  -3.987
  467    HD1  PHE  59           HD1      PHE  59  -7.605   5.735  -4.243
  468    HD2  PHE  59           HD2      PHE  59  -6.821   2.081  -6.402
  469    HE1  PHE  59           HE1      PHE  59  -6.049   6.933  -5.696
  470    HE2  PHE  59           HE2      PHE  59  -5.201   3.279  -7.816
  471    HZ   PHE  59           HZ       PHE  59  -4.757   5.687  -7.457
  472    H    VAL  60           H        VAL  60  -5.411   2.182  -1.772
  473    HA   VAL  60           HA       VAL  60  -5.257   5.006  -0.839
  474    HB   VAL  60           HB       VAL  60  -3.629   4.454   0.662
  475   HG11  VAL  60          HG11      VAL  60  -5.837   3.398   1.142
  476   HG12  VAL  60          HG12      VAL  60  -5.212   1.864   0.551
  477   HG13  VAL  60          HG13      VAL  60  -4.453   2.646   1.968
  478   HG21  VAL  60          HG21      VAL  60  -1.917   3.504  -0.518
  479   HG22  VAL  60          HG22      VAL  60  -2.390   2.238   0.630
  480   HG23  VAL  60          HG23      VAL  60  -2.876   2.141  -1.094
  481    H    ARG  61           H        ARG  61  -3.014   6.010  -1.024
  482    HA   ARG  61           HA       ARG  61  -1.679   5.383  -3.590
  483    HB2  ARG  61           HB2      ARG  61  -3.679   6.938  -3.911
  484    HB3  ARG  61           HB3      ARG  61  -2.799   8.130  -2.936
  485    HG2  ARG  61           HG2      ARG  61  -0.913   8.024  -4.588
  486    HG3  ARG  61           HG3      ARG  61  -1.862   6.845  -5.531
  487    HD2  ARG  61           HD2      ARG  61  -3.744   8.664  -5.413
  488    HD3  ARG  61           HD3      ARG  61  -2.427   9.778  -5.024
  489    HE   ARG  61           HE       ARG  61  -1.357   8.985  -7.199
  490   HH11  ARG  61          HH11      ARG  61  -4.862   8.920  -6.691
  491   HH12  ARG  61          HH12      ARG  61  -5.215   8.811  -8.394
  492   HH21  ARG  61          HH21      ARG  61  -1.866   8.934  -9.421
  493   HH22  ARG  61          HH22      ARG  61  -3.541   8.859  -9.928
  494    H    PHE  62           H        PHE  62   0.426   5.277  -3.022
  495    HA   PHE  62           HA       PHE  62   1.598   7.030  -0.925
  496    HB2  PHE  62           HB2      PHE  62   2.521   4.687  -2.581
  497    HB3  PHE  62           HB3      PHE  62   3.668   5.694  -1.705
  498    HD1  PHE  62           HD2      PHE  62   0.444   3.876  -1.010
  499    HD2  PHE  62           HD1      PHE  62   4.350   5.033   0.356
  500    HE1  PHE  62           HE2      PHE  62   0.107   2.562   1.072
  501    HE2  PHE  62           HE1      PHE  62   4.058   3.649   2.391
  502    HZ   PHE  62           HZ       PHE  62   1.966   2.388   2.739
  503    H    HIS  63           H        HIS  63   3.755   7.985  -1.498
  504    HA   HIS  63           HA       HIS  63   3.756   9.110  -4.265
  505    HB2  HIS  63           HB2      HIS  63   5.066  10.905  -2.505
  506    HB3  HIS  63           HB3      HIS  63   3.631  11.174  -3.456
  507    HD2  HIS  63           HD2      HIS  63   3.991   9.212  -0.009
  508    HE1  HIS  63           HE1      HIS  63   1.156  12.337   0.441
  509    HE2  HIS  63           HE2      HIS  63   2.310  10.386   1.591
  510    H    ASP  64           H        ASP  64   5.700   8.108  -1.447
  511    HA   ASP  64           HA       ASP  64   8.242   8.674  -2.762
  512    HB2  ASP  64           HB2      ASP  64   7.245   7.390  -0.231
  513    HB3  ASP  64           HB3      ASP  64   8.916   7.084  -0.740
  514    H    LYS  65           H        LYS  65   9.308   7.366  -4.179
  515    HA   LYS  65           HA       LYS  65   8.199   4.895  -5.073
  516    HB2  LYS  65           HB2      LYS  65   9.633   6.103  -6.541
  517    HB3  LYS  65           HB3      LYS  65  10.925   6.195  -5.341
  518    HG2  LYS  65           HG2      LYS  65  11.420   4.569  -7.139
  519    HG3  LYS  65           HG3      LYS  65  11.404   3.837  -5.536
  520    HD2  LYS  65           HD2      LYS  65  10.330   2.380  -7.195
  521    HD3  LYS  65           HD3      LYS  65   9.184   2.868  -5.950
  522    HE2  LYS  65           HE2      LYS  65   8.099   2.980  -8.100
  523    HE3  LYS  65           HE3      LYS  65   8.288   4.619  -7.459
  524    HZ1  LYS  65           HZ1      LYS  65  10.031   3.355  -9.481
  525    HZ2  LYS  65           HZ2      LYS  65   8.887   4.498  -9.772
  526    HZ3  LYS  65           HZ3      LYS  65  10.214   4.881  -8.890
  527    H    ARG  66           H        ARG  66  11.033   5.511  -2.898
  528    HA   ARG  66           HA       ARG  66  11.591   2.776  -2.506
  529    HB2  ARG  66           HB2      ARG  66  12.943   3.417  -0.660
  530    HB3  ARG  66           HB3      ARG  66  13.180   4.552  -1.985
  531    HG2  ARG  66           HG2      ARG  66  11.390   5.054   0.437
  532    HG3  ARG  66           HG3      ARG  66  13.078   5.554   0.332
  533    HD2  ARG  66           HD2      ARG  66  10.828   6.533  -1.460
  534    HD3  ARG  66           HD3      ARG  66  11.616   7.427  -0.158
  535    HE   ARG  66           HE       ARG  66  13.525   6.478  -2.125
  536   HH11  ARG  66          HH11      ARG  66  11.225   9.094  -1.386
  537   HH12  ARG  66          HH12      ARG  66  12.031  10.222  -2.441
  538   HH21  ARG  66          HH21      ARG  66  14.527   8.003  -3.487
  539   HH22  ARG  66          HH22      ARG  66  13.879   9.618  -3.618
  540    H    ASP  67           H        ASP  67   9.156   4.806  -0.879
  541    HA   ASP  67           HA       ASP  67   8.701   2.698   1.140
  542    HB2  ASP  67           HB2      ASP  67   7.293   5.338   0.599
  543    HB3  ASP  67           HB3      ASP  67   6.988   4.276   1.984
  544    H    ALA  68           H        ALA  68   7.539   3.580  -2.025
  545    HA   ALA  68           HA       ALA  68   4.906   2.360  -1.758
  546    HB1  ALA  68           HB1      ALA  68   6.657   3.416  -4.016
  547    HB2  ALA  68           HB2      ALA  68   5.119   2.625  -4.343
  548    HB3  ALA  68           HB3      ALA  68   5.140   4.121  -3.391
  549    H    GLU  69           H        GLU  69   8.119   1.498  -3.187
  550    HA   GLU  69           HA       GLU  69   7.128  -1.106  -3.974
  551    HB2  GLU  69           HB2      GLU  69   9.428  -1.596  -4.590
  552    HB3  GLU  69           HB3      GLU  69   8.917  -0.039  -5.249
  553    HG2  GLU  69           HG2      GLU  69  10.181   1.176  -3.597
  554    HG3  GLU  69           HG3      GLU  69  10.462  -0.285  -2.643
  555    H    ASP  70           H        ASP  70   8.610   0.206  -1.017
  556    HA   ASP  70           HA       ASP  70   9.423  -2.391  -0.032
  557    HB2  ASP  70           HB2      ASP  70  10.424  -0.277   0.718
  558    HB3  ASP  70           HB3      ASP  70   8.881   0.208   1.448
  559    H    ALA  71           H        ALA  71   6.536  -0.269   0.581
  560    HA   ALA  71           HA       ALA  71   5.354  -2.055   2.460
  561    HB1  ALA  71           HB1      ALA  71   3.295  -0.773   1.996
  562    HB2  ALA  71           HB2      ALA  71   4.689   0.316   2.162
  563    HB3  ALA  71           HB3      ALA  71   4.055  -0.070   0.544
  564    H    MET  72           H        MET  72   5.359  -1.933  -1.080
  565    HA   MET  72           HA       MET  72   3.330  -3.964  -1.425
  566    HB2  MET  72           HB2      MET  72   3.706  -2.449  -3.209
  567    HB3  MET  72           HB3      MET  72   5.466  -2.636  -3.084
  568    HG2  MET  72           HG2      MET  72   5.440  -4.760  -4.105
  569    HG3  MET  72           HG3      MET  72   3.679  -4.906  -3.962
  570    HE1  MET  72           HE1      MET  72   5.057  -1.385  -4.933
  571    HE2  MET  72           HE2      MET  72   6.425  -2.421  -5.420
  572    HE3  MET  72           HE3      MET  72   5.472  -1.560  -6.644
  573    H    ASP  73           H        ASP  73   6.928  -3.945  -1.276
  574    HA   ASP  73           HA       ASP  73   7.024  -6.774  -1.882
  575    HB2  ASP  73           HB2      ASP  73   8.772  -5.139  -2.600
  576    HB3  ASP  73           HB3      ASP  73   9.206  -4.888  -0.901
  577    H    ALA  74           H        ALA  74   5.958  -5.242   0.827
  578    HA   ALA  74           HA       ALA  74   7.146  -7.276   2.650
  579    HB1  ALA  74           HB1      ALA  74   6.529  -4.364   3.193
  580    HB2  ALA  74           HB2      ALA  74   7.166  -5.531   4.388
  581    HB3  ALA  74           HB3      ALA  74   8.158  -5.055   2.985
  582    H    MET  75           H        MET  75   4.261  -6.028   1.295
  583    HA   MET  75           HA       MET  75   2.783  -7.444   3.469
  584    HB2  MET  75           HB2      MET  75   2.776  -4.767   3.455
  585    HB3  MET  75           HB3      MET  75   1.496  -5.052   2.237
  586    HG2  MET  75           HG2      MET  75   0.538  -6.741   3.928
  587    HG3  MET  75           HG3      MET  75   1.657  -6.036   5.100
  588    HE1  MET  75           HE1      MET  75   0.363  -2.270   5.122
  589    HE2  MET  75           HE2      MET  75   1.539  -3.408   5.820
  590    HE3  MET  75           HE3      MET  75   1.608  -2.995   4.081
  591    H    ASP  76           H        ASP  76   2.869  -6.593  -0.042
  592    HA   ASP  76           HA       ASP  76   0.247  -7.608  -0.523
  593    HB2  ASP  76           HB2      ASP  76   1.302  -6.338  -2.278
  594    HB3  ASP  76           HB3      ASP  76   2.738  -7.347  -2.261
  595    H    GLY  77           H        GLY  77  -0.551  -9.580  -0.779
  596    HA2  GLY  77           HA2      GLY  77  -0.662 -11.865  -1.115
  597    HA3  GLY  77           HA3      GLY  77   1.082 -11.888  -1.435
  598    H    ALA  78           H        ALA  78   0.336 -10.347   1.553
  599    HA   ALA  78           HA       ALA  78   1.487 -12.612   3.004
  600    HB1  ALA  78           HB1      ALA  78   0.576  -9.855   3.956
  601    HB2  ALA  78           HB2      ALA  78   1.570 -11.010   4.884
  602    HB3  ALA  78           HB3      ALA  78   2.221 -10.261   3.411
  603    H    VAL  79           H        VAL  79  -1.004 -13.136   1.853
  604    HA   VAL  79           HA       VAL  79  -3.191 -12.593   3.619
  605    HB   VAL  79           HB       VAL  79  -3.314 -12.920   1.150
  606   HG11  VAL  79          HG11      VAL  79  -1.873 -14.975   1.012
  607   HG12  VAL  79          HG12      VAL  79  -3.150 -15.892   1.847
  608   HG13  VAL  79          HG13      VAL  79  -3.469 -15.187   0.247
  609   HG21  VAL  79          HG21      VAL  79  -5.367 -13.765   1.044
  610   HG22  VAL  79          HG22      VAL  79  -5.256 -14.640   2.594
  611   HG23  VAL  79          HG23      VAL  79  -5.197 -12.832   2.546
  612    H    LEU  80           H        LEU  80  -4.696 -14.349   4.165
  613    HA   LEU  80           HA       LEU  80  -3.532 -16.798   5.243
  614    HB2  LEU  80           HB2      LEU  80  -4.303 -16.156   7.632
  615    HB3  LEU  80           HB3      LEU  80  -2.762 -15.538   7.034
  616    HG   LEU  80           HG       LEU  80  -3.664 -13.354   6.652
  617   HD11  LEU  80          HD11      LEU  80  -6.373 -14.521   7.405
  618   HD12  LEU  80          HD12      LEU  80  -6.010 -12.783   7.275
  619   HD13  LEU  80          HD13      LEU  80  -5.901 -13.809   5.835
  620   HD21  LEU  80          HD21      LEU  80  -2.976 -13.922   8.941
  621   HD22  LEU  80          HD22      LEU  80  -4.305 -12.745   8.947
  622   HD23  LEU  80          HD23      LEU  80  -4.631 -14.460   9.316
  623    H    ASP  81           H        ASP  81  -6.085 -15.347   3.799
  624    HA   ASP  81           HA       ASP  81  -7.837 -17.538   4.664
  625    HB2  ASP  81           HB2      ASP  81  -8.298 -15.584   6.185
  626    HB3  ASP  81           HB3      ASP  81  -8.730 -14.624   4.759
  627    H    GLY  82           H        GLY  82  -6.528 -15.738   2.140
  628    HA2  GLY  82           HA2      GLY  82  -7.187 -16.749  -0.052
  629    HA3  GLY  82           HA3      GLY  82  -8.872 -16.404   0.392
  630    H    ARG  83           H        ARG  83  -7.738 -13.846   1.778
  631    HA   ARG  83           HA       ARG  83  -6.546 -12.278  -0.298
  632    HB2  ARG  83           HB2      ARG  83  -8.250 -10.605  -0.510
  633    HB3  ARG  83           HB3      ARG  83  -8.944 -12.142  -1.039
  634    HG2  ARG  83           HG2      ARG  83 -10.364 -12.238   0.848
  635    HG3  ARG  83           HG3      ARG  83  -9.300 -11.174   1.809
  636    HD2  ARG  83           HD2      ARG  83 -11.238  -9.920   1.174
  637    HD3  ARG  83           HD3      ARG  83  -9.747  -9.291   0.436
  638    HE   ARG  83           HE       ARG  83 -11.084 -11.133  -1.342
  639   HH11  ARG  83          HH11      ARG  83 -11.307  -7.831  -0.097
  640   HH12  ARG  83          HH12      ARG  83 -12.008  -7.194  -1.558
  641   HH21  ARG  83          HH21      ARG  83 -12.053 -10.300  -3.221
  642   HH22  ARG  83          HH22      ARG  83 -12.485  -8.605  -3.310
  643    H    GLU  84           H        GLU  84  -5.399 -10.658   0.707
  644    HA   GLU  84           HA       GLU  84  -6.432  -9.709   3.284
  645    HB2  GLU  84           HB2      GLU  84  -3.737 -10.953   2.911
  646    HB3  GLU  84           HB3      GLU  84  -3.890  -9.589   4.012
  647    HG2  GLU  84           HG2      GLU  84  -5.570 -12.102   4.309
  648    HG3  GLU  84           HG3      GLU  84  -4.104 -11.733   5.213
  649    H    LEU  85           H        LEU  85  -3.822  -9.591   0.841
  650    HA   LEU  85           HA       LEU  85  -4.219  -6.647   0.505
  651    HB2  LEU  85           HB2      LEU  85  -1.563  -8.113   0.850
  652    HB3  LEU  85           HB3      LEU  85  -1.715  -6.501   0.172
  653    HG   LEU  85           HG       LEU  85  -0.980  -6.223   2.352
  654   HD11  LEU  85          HD11      LEU  85  -2.750  -4.877   3.364
  655   HD12  LEU  85          HD12      LEU  85  -2.716  -4.666   1.588
  656   HD13  LEU  85          HD13      LEU  85  -3.973  -5.666   2.342
  657   HD21  LEU  85          HD21      LEU  85  -3.329  -7.724   3.501
  658   HD22  LEU  85          HD22      LEU  85  -1.785  -8.533   3.108
  659   HD23  LEU  85          HD23      LEU  85  -1.825  -7.214   4.299
  660    H    ARG  86           H        ARG  86  -3.851  -5.845  -1.468
  661    HA   ARG  86           HA       ARG  86  -2.278  -7.295  -3.465
  662    HB2  ARG  86           HB2      ARG  86  -5.181  -6.490  -3.879
  663    HB3  ARG  86           HB3      ARG  86  -4.051  -6.620  -5.229
  664    HG2  ARG  86           HG2      ARG  86  -4.683  -8.886  -3.296
  665    HG3  ARG  86           HG3      ARG  86  -5.425  -8.670  -4.889
  666    HD2  ARG  86           HD2      ARG  86  -2.430  -9.023  -4.418
  667    HD3  ARG  86           HD3      ARG  86  -3.549 -10.313  -4.879
  668    HE   ARG  86           HE       ARG  86  -3.997  -9.169  -6.964
  669   HH11  ARG  86          HH11      ARG  86  -1.111  -8.045  -5.210
  670   HH12  ARG  86          HH12      ARG  86  -0.414  -7.311  -6.628
  671   HH21  ARG  86          HH21      ARG  86  -3.043  -8.212  -8.774
  672   HH22  ARG  86          HH22      ARG  86  -1.506  -7.393  -8.636
  673    H    VAL  87           H        VAL  87  -0.707  -5.769  -3.386
  674    HA   VAL  87           HA       VAL  87  -1.527  -2.965  -3.982
  675    HB   VAL  87           HB       VAL  87  -0.976  -3.116  -1.623
  676   HG11  VAL  87          HG11      VAL  87   1.641  -4.284  -2.475
  677   HG12  VAL  87          HG12      VAL  87   1.355  -3.489  -0.899
  678   HG13  VAL  87          HG13      VAL  87   0.402  -4.908  -1.323
  679   HG21  VAL  87          HG21      VAL  87   0.744  -1.371  -1.550
  680   HG22  VAL  87          HG22      VAL  87   1.219  -1.741  -3.225
  681   HG23  VAL  87          HG23      VAL  87  -0.403  -1.077  -2.870
  682    H    GLN  88           H        GLN  88  -0.606  -2.041  -5.612
  683    HA   GLN  88           HA       GLN  88   2.047  -2.599  -6.618
  684    HB2  GLN  88           HB2      GLN  88   1.384  -3.521  -8.775
  685    HB3  GLN  88           HB3      GLN  88   0.890  -4.623  -7.485
  686    HG2  GLN  88           HG2      GLN  88  -1.426  -3.826  -7.637
  687    HG3  GLN  88           HG3      GLN  88  -0.956  -2.581  -8.805
  688   HE21  GLN  88          HE22      GLN  88  -1.204  -3.065 -10.909
  689   HE22  GLN  88          HE21      GLN  88  -1.302  -4.688 -11.572
  690    H    MET  89           H        MET  89   2.450  -1.388  -8.595
  691    HA   MET  89           HA       MET  89   1.771   1.305  -8.222
  692    HB2  MET  89           HB2      MET  89   2.863  -0.200 -10.626
  693    HB3  MET  89           HB3      MET  89   2.939   1.566 -10.415
  694    HG2  MET  89           HG2      MET  89   3.969  -0.338  -8.278
  695    HG3  MET  89           HG3      MET  89   4.974   0.085  -9.640
  696    HE1  MET  89           HE1      MET  89   6.597   0.676  -7.569
  697    HE2  MET  89           HE2      MET  89   6.316   2.021  -6.445
  698    HE3  MET  89           HE3      MET  89   5.311   0.554  -6.339
  699    H    ALA  90           H        ALA  90   0.207   2.637  -9.074
  700    HA   ALA  90           HA       ALA  90  -2.224   1.485 -10.014
  701    HB1  ALA  90           HB1      ALA  90  -2.950   3.796 -10.283
  702    HB2  ALA  90           HB2      ALA  90  -1.994   3.660  -8.790
  703    HB3  ALA  90           HB3      ALA  90  -1.261   4.363 -10.242
  704    H    ARG  91           H        ARG  91  -3.275   1.727 -12.075
  705    HA   ARG  91           HA       ARG  91  -1.521   2.436 -14.369
  706    HB2  ARG  91           HB2      ARG  91  -3.205  -0.090 -14.187
  707    HB3  ARG  91           HB3      ARG  91  -2.377   0.503 -15.638
  708    HG2  ARG  91           HG2      ARG  91  -0.203   0.417 -14.355
  709    HG3  ARG  91           HG3      ARG  91  -1.073  -0.406 -13.047
  710    HD2  ARG  91           HD2      ARG  91  -0.817  -1.351 -15.930
  711    HD3  ARG  91           HD3      ARG  91   0.022  -2.045 -14.531
  712    HE   ARG  91           HE       ARG  91  -2.649  -2.216 -13.856
  713   HH11  ARG  91          HH11      ARG  91  -0.664  -3.359 -16.548
  714   HH12  ARG  91          HH12      ARG  91  -1.696  -4.728 -16.886
  715   HH21  ARG  91          HH21      ARG  91  -3.993  -3.984 -14.337
  716   HH22  ARG  91          HH22      ARG  91  -3.573  -5.091 -15.622
  717    H    TYR  92           H        TYR  92  -4.235   3.152 -12.693
  718    HA   TYR  92           HA       TYR  92  -5.476   4.290 -15.134
  719    HB2  TYR  92           HB2      TYR  92  -7.114   3.374 -12.780
  720    HB3  TYR  92           HB3      TYR  92  -7.672   3.840 -14.388
  721    HD1  TYR  92           HD1      TYR  92  -6.317   2.247 -16.294
  722    HD2  TYR  92           HD2      TYR  92  -7.489   1.186 -12.304
  723    HE1  TYR  92           HE1      TYR  92  -6.315  -0.150 -16.941
  724    HE2  TYR  92           HE2      TYR  92  -7.463  -1.218 -12.919
  725    HH   TYR  92           HH       TYR  92  -6.648  -2.308 -16.246
  726    H    GLY  93           H        GLY  93  -6.893   6.262 -14.480
  727    HA2  GLY  93           HA2      GLY  93  -5.363   7.754 -12.384
  728    HA3  GLY  93           HA3      GLY  93  -6.029   8.460 -13.859
  729    H    ARG  94           H        ARG  94  -6.588   9.743 -11.610
  730    HA   ARG  94           HA       ARG  94  -8.913   8.862 -10.197
  731    HB2  ARG  94           HB2      ARG  94  -8.932  11.101  -9.277
  732    HB3  ARG  94           HB3      ARG  94  -7.271  10.518  -9.360
  733    HG2  ARG  94           HG2      ARG  94  -6.903  11.833 -11.430
  734    HG3  ARG  94           HG3      ARG  94  -8.581  12.407 -11.371
  735    HD2  ARG  94           HD2      ARG  94  -6.473  12.871  -9.218
  736    HD3  ARG  94           HD3      ARG  94  -7.029  14.078 -10.393
  737    HE   ARG  94           HE       ARG  94  -8.472  13.080  -8.026
  738   HH11  ARG  94          HH11      ARG  94  -8.651  14.962 -11.020
  739   HH12  ARG  94          HH12      ARG  94 -10.123  15.782 -10.537
  740   HH21  ARG  94          HH21      ARG  94 -10.381  14.116  -7.463
  741   HH22  ARG  94          HH22      ARG  94 -11.094  15.323  -8.517
  742    HA   PRO  95           HA       PRO  95 -12.106   9.715 -13.001
  743    HB2  PRO  95           HB2      PRO  95 -14.237  10.337 -11.431
  744    HB3  PRO  95           HB3      PRO  95 -13.445   8.731 -11.383
  745    HG2  PRO  95           HG2      PRO  95 -12.991  11.092  -9.532
  746    HG3  PRO  95           HG3      PRO  95 -13.293   9.388  -9.066
  747    HD2  PRO  95           HD2      PRO  95 -10.780  10.413  -9.206
  748    HD3  PRO  95           HD3      PRO  95 -11.131   8.722  -9.698
  749    HA   PRO  96           HA       PRO  96 -12.348  14.137 -13.767
  750    HB2  PRO  96           HB2      PRO  96 -13.965  14.127 -15.934
  751    HB3  PRO  96           HB3      PRO  96 -12.326  13.398 -16.003
  752    HG2  PRO  96           HG2      PRO  96 -14.973  11.983 -15.559
  753    HG3  PRO  96           HG3      PRO  96 -13.676  11.553 -16.717
  754    HD2  PRO  96           HD2      PRO  96 -13.919  10.393 -14.226
  755    HD3  PRO  96           HD3      PRO  96 -12.328  10.670 -15.005
  756    H    ASP  97           H        ASP  97 -15.135  12.078 -13.192
  757    HA   ASP  97           HA       ASP  97 -16.588  14.234 -11.830
  758    HB2  ASP  97           HB2      ASP  97 -17.309  14.429 -14.215
  759    HB3  ASP  97           HB3      ASP  97 -17.771  12.727 -14.202
  760    H    SER  98           H        SER  98 -18.529  13.264 -10.625
  761    HA   SER  98           HA       SER  98 -17.542  10.858  -9.402
  762    HB2  SER  98           HB2      SER  98 -19.593  11.056  -7.985
  763    HB3  SER  98           HB3      SER  98 -18.631  12.549  -8.039
  764    HG   SER  98           HG       SER  98 -20.865  12.945  -8.350
  765    H    HIS  99           H        HIS  99 -20.519  11.527 -11.334
  766    HA   HIS  99           HA       HIS  99 -20.512   8.859 -12.422
  767    HB2  HIS  99           HB2      HIS  99 -21.239   8.345 -10.088
  768    HB3  HIS  99           HB3      HIS  99 -22.547   9.512 -10.249
  769    HD2  HIS  99           HD2      HIS  99 -21.369   6.144 -11.835
  770    HE1  HIS  99           HE1      HIS  99 -25.591   6.368 -12.311
  771    HE2  HIS  99           HE2      HIS  99 -23.536   4.909 -12.646
  772    H    HIS 100           H        HIS 100 -22.504  11.717 -11.524
  773    HA   HIS 100           HA       HIS 100 -23.375  12.049 -14.282
  774    HB2  HIS 100           HB2      HIS 100 -24.833  10.192 -13.401
  775    HB3  HIS 100           HB3      HIS 100 -25.438  11.309 -12.175
  776    HD2  HIS 100           HD2      HIS 100 -27.740  12.252 -12.852
  777    HE1  HIS 100           HE1      HIS 100 -27.277  12.427 -17.079
  778    HE2  HIS 100           HE2      HIS 100 -28.867  12.875 -15.134
  779    H    SER 101           H        SER 101 -22.275  13.413 -11.611
  780    HA   SER 101           HA       SER 101 -24.092  15.322 -10.696
  781    HB2  SER 101           HB2      SER 101 -21.893  14.764  -9.683
  782    HB3  SER 101           HB3      SER 101 -21.082  15.615 -11.014
  783    HG   SER 101           HG       SER 101 -21.396  16.960  -9.181
  784    H5'    U 102           H5'        U 102 -13.382  -4.365 -11.582
  785   H5''    U 102          H5''        U 102 -12.876  -5.758 -10.618
  786    H4'    U 102           H4'        U 102 -11.960  -3.783  -9.606
  787    H3'    U 102           H3'        U 102 -13.509  -5.580  -8.161
  788    H2'    U 102           H2'        U 102 -15.517  -4.328  -8.223
  789   HO2'    U 102          HO2'        U 102 -14.053  -3.304  -6.015
  790    H1'    U 102           H1'        U 102 -13.980  -1.745  -7.849
  791    H3     U 102           H3         U 102 -18.189   0.089  -7.826
  792    H5     U 102           H5         U 102 -17.962  -2.017 -11.460
  793    H6     U 102           H6         U 102 -15.804  -2.881 -10.742
  794   HO5'    U 102          HO5'        U 102 -15.100  -5.839 -11.159
  795    H5'    G 103           H5'        G 103  -9.440  -2.398  -6.126
  796   H5''    G 103          H5''        G 103 -11.082  -1.878  -6.537
  797    H4'    G 103           H4'        G 103  -9.558  -0.049  -6.861
  798    H3'    G 103           H3'        G 103 -10.940  -1.177  -9.238
  799    H2'    G 103           H2'        G 103  -9.192  -0.756 -10.571
  800   HO2'    G 103          HO2'        G 103 -10.397   1.315 -10.716
  801    H1'    G 103           H1'        G 103  -7.997   1.001  -8.407
  802    H8     G 103           H8         G 103  -6.183   1.960  -9.987
  803    H1     G 103           H1         G 103  -4.297  -3.925 -11.730
  804    H21    G 103           H21        G 103  -5.761  -5.430 -10.969
  805    H22    G 103           H22        G 103  -7.165  -4.961 -10.038
  806    H5'    G 104           H5'        G 104 -12.305   4.076 -10.149
  807   H5''    G 104          H5''        G 104 -10.844   3.478  -9.329
  808    H4'    G 104           H4'        G 104 -12.919   4.831  -7.632
  809    H3'    G 104           H3'        G 104 -10.937   6.331  -9.359
  810    H2'    G 104           H2'        G 104 -11.234   8.086  -7.739
  811   HO2'    G 104          HO2'        G 104 -13.525   7.609  -7.293
  812    H1'    G 104           H1'        G 104 -10.736   6.303  -5.746
  813    H8     G 104           H8         G 104  -8.910   8.251  -5.846
  814    H1     G 104           H1         G 104  -6.023   5.249 -10.713
  815    H21    G 104           H21        G 104  -7.168   3.407 -11.222
  816    H22    G 104           H22        G 104  -8.669   3.012 -10.411
  817    H5'    A 105           H5'        A 105 -16.663   8.372  -9.258
  818   H5''    A 105          H5''        A 105 -15.237   9.299  -9.693
  819    H4'    A 105           H4'        A 105 -15.778  10.787  -8.095
  820    H3'    A 105           H3'        A 105 -14.374   9.206  -6.463
  821    H2'    A 105           H2'        A 105 -15.977   7.374  -6.399
  822   HO2'    A 105          HO2'        A 105 -16.337   9.110  -4.188
  823    H1'    A 105           H1'        A 105 -18.265   9.167  -5.733
  824    H8     A 105           H8         A 105 -16.865   6.497  -8.091
  825    H61    A 105           H61        A 105 -22.730   4.465  -8.445
  826    H62    A 105           H62        A 105 -21.078   4.137  -8.942
  827    H2     A 105           H2         A 105 -22.670   8.177  -6.023
  828    H5'    G 106           H5'        G 106 -13.814  10.728  -2.701
  829   H5''    G 106          H5''        G 106 -15.285  11.620  -3.087
  830    H4'    G 106           H4'        G 106 -14.078  12.630  -1.228
  831    H3'    G 106           H3'        G 106 -15.181  14.089  -3.250
  832    H2'    G 106           H2'        G 106 -13.373  14.180  -4.660
  833   HO2'    G 106          HO2'        G 106 -12.680  16.344  -2.959
  834    H1'    G 106           H1'        G 106 -11.276  14.639  -2.586
  835    H8     G 106           H8         G 106 -12.315  13.239  -5.925
  836    H1     G 106           H1         G 106  -6.399  11.438  -4.218
  837    H21    G 106           H21        G 106  -5.909  12.308  -2.217
  838    H22    G 106           H22        G 106  -7.122  13.144  -1.264
  839    H5'    U 107           H5'        U 107 -15.506  17.968   1.184
  840   H5''    U 107          H5''        U 107 -16.672  17.638  -0.110
  841    H4'    U 107           H4'        U 107 -13.725  17.319  -0.645
  842    H3'    U 107           H3'        U 107 -14.905  19.940   0.027
  843   HO3'    U 107          HO3'        U 107 -12.708  20.443  -0.199
  844    H2'    U 107           H2'        U 107 -15.460  20.326  -2.111
  845   HO2'    U 107          HO2'        U 107 -13.709  21.102  -3.399
  846    H1'    U 107           H1'        U 107 -13.358  18.328  -2.992
  847    H3     U 107           H3         U 107 -17.824  19.467  -5.748
  848    H5     U 107           H5         U 107 -14.100  18.572  -7.463
  849    H6     U 107           H6         U 107 -13.198  18.301  -5.228
  Start of MODEL   13
    1    H    MET   1           H1       MET   1 -13.869  21.291   4.927
    2    HA   MET   1           HA       MET   1 -14.439  18.983   4.977
    3    HB2  MET   1           HB2      MET   1 -15.495  20.403   3.277
    4    HB3  MET   1           HB3      MET   1 -14.132  20.139   2.178
    5    HG2  MET   1           HG2      MET   1 -16.026  18.697   1.603
    6    HG3  MET   1           HG3      MET   1 -14.625  17.747   2.084
    7    HE1  MET   1           HE1      MET   1 -17.480  16.534   1.780
    8    HE2  MET   1           HE2      MET   1 -16.072  15.592   2.332
    9    HE3  MET   1           HE3      MET   1 -17.598  15.517   3.237
   10    H    SER   2           H        SER   2 -13.219  17.241   5.468
   11    HA   SER   2           HA       SER   2 -10.703  16.584   4.345
   12    HB2  SER   2           HB2      SER   2 -12.797  14.750   5.568
   13    HB3  SER   2           HB3      SER   2 -11.055  14.415   5.397
   14    HG   SER   2           HG       SER   2 -11.632  15.214   7.474
   15    H    TYR   3           H        TYR   3 -10.077  15.182   2.721
   16    HA   TYR   3           HA       TYR   3 -10.120  14.407   0.598
   17    HB2  TYR   3           HB2      TYR   3 -12.669  13.052   1.518
   18    HB3  TYR   3           HB3      TYR   3 -11.616  12.543   0.195
   19    HD1  TYR   3           HD1      TYR   3 -11.861  12.965   3.864
   20    HD2  TYR   3           HD2      TYR   3  -9.627  11.261   0.619
   21    HE1  TYR   3           HE1      TYR   3 -10.540  11.620   5.493
   22    HE2  TYR   3           HE2      TYR   3  -8.298   9.910   2.230
   23    HH   TYR   3           HH       TYR   3  -8.869  10.089   5.764
   24    H    GLY   4           H        GLY   4 -11.734  16.959   1.173
   25    HA2  GLY   4           HA2      GLY   4 -13.857  16.904  -0.814
   26    HA3  GLY   4           HA3      GLY   4 -13.365  18.283   0.170
   27    H    ARG   5           H        ARG   5 -12.065  16.168  -2.399
   28    HA   ARG   5           HA       ARG   5 -10.585  16.496  -4.064
   29    HB2  ARG   5           HB2      ARG   5 -11.277  18.190  -5.734
   30    HB3  ARG   5           HB3      ARG   5 -12.452  16.976  -5.253
   31    HG2  ARG   5           HG2      ARG   5 -13.526  18.539  -3.708
   32    HG3  ARG   5           HG3      ARG   5 -12.421  19.844  -4.226
   33    HD2  ARG   5           HD2      ARG   5 -14.180  18.172  -6.031
   34    HD3  ARG   5           HD3      ARG   5 -14.663  19.766  -5.382
   35    HE   ARG   5           HE       ARG   5 -12.210  20.199  -6.615
   36   HH11  ARG   5          HH11      ARG   5 -15.371  19.002  -7.664
   37   HH12  ARG   5          HH12      ARG   5 -15.177  19.595  -9.297
   38   HH21  ARG   5          HH21      ARG   5 -11.986  20.948  -8.747
   39   HH22  ARG   5          HH22      ARG   5 -13.275  20.696  -9.907
   40    HA   PRO   6           HA       PRO   6  -8.063  20.065  -2.299
   41    HB2  PRO   6           HB2      PRO   6  -6.209  18.700  -0.832
   42    HB3  PRO   6           HB3      PRO   6  -7.789  19.186  -0.140
   43    HG2  PRO   6           HG2      PRO   6  -7.042  16.495  -1.329
   44    HG3  PRO   6           HG3      PRO   6  -7.816  16.822   0.251
   45    HD2  PRO   6           HD2      PRO   6  -9.278  16.174  -1.955
   46    HD3  PRO   6           HD3      PRO   6  -9.866  17.386  -0.767
   47    HA   PRO   7           HA       PRO   7  -5.383  19.056  -5.677
   48    HB2  PRO   7           HB2      PRO   7  -3.300  20.787  -5.328
   49    HB3  PRO   7           HB3      PRO   7  -4.947  21.337  -5.762
   50    HG2  PRO   7           HG2      PRO   7  -3.697  21.277  -3.003
   51    HG3  PRO   7           HG3      PRO   7  -4.599  22.615  -3.791
   52    HD2  PRO   7           HD2      PRO   7  -5.786  20.882  -2.045
   53    HD3  PRO   7           HD3      PRO   7  -6.665  21.541  -3.461
   54    HA   PRO   8           HA       PRO   8  -2.504  16.202  -3.619
   55    HB2  PRO   8           HB2      PRO   8  -2.472  14.276  -5.487
   56    HB3  PRO   8           HB3      PRO   8  -3.967  14.586  -4.548
   57    HG2  PRO   8           HG2      PRO   8  -3.265  15.655  -7.304
   58    HG3  PRO   8           HG3      PRO   8  -4.762  14.791  -6.814
   59    HD2  PRO   8           HD2      PRO   8  -4.555  17.540  -6.881
   60    HD3  PRO   8           HD3      PRO   8  -5.580  16.684  -5.688
   61    H    ASP   9           H        ASP   9  -0.625  14.833  -5.132
   62    HA   ASP   9           HA       ASP   9   0.785  16.892  -6.735
   63    HB2  ASP   9           HB2      ASP   9   1.606  16.826  -4.368
   64    HB3  ASP   9           HB3      ASP   9   2.036  15.121  -4.606
   65    H    VAL  10           H        VAL  10  -0.851  14.360  -7.238
   66    HA   VAL  10           HA       VAL  10   0.749  12.193  -8.035
   67    HB   VAL  10           HB       VAL  10  -1.161  11.560  -9.451
   68   HG11  VAL  10          HG11      VAL  10  -2.894  11.539  -7.680
   69   HG12  VAL  10          HG12      VAL  10  -1.286  11.125  -7.046
   70   HG13  VAL  10          HG13      VAL  10  -1.976  12.744  -6.761
   71   HG21  VAL  10          HG21      VAL  10  -1.749  13.784 -10.360
   72   HG22  VAL  10          HG22      VAL  10  -3.147  13.033  -9.577
   73   HG23  VAL  10          HG23      VAL  10  -2.257  14.321  -8.743
   74    H    GLU  11           H        GLU  11   0.666  15.323  -9.376
   75    HA   GLU  11           HA       GLU  11   1.142  14.693 -12.138
   76    HB2  GLU  11           HB2      GLU  11   1.768  17.080 -12.277
   77    HB3  GLU  11           HB3      GLU  11   0.249  16.840 -11.390
   78    HG2  GLU  11           HG2      GLU  11   1.444  17.054  -9.248
   79    HG3  GLU  11           HG3      GLU  11   2.984  17.239 -10.098
   80    H    GLY  12           H        GLY  12   3.109  13.953  -9.523
   81    HA2  GLY  12           HA2      GLY  12   5.418  13.590 -11.218
   82    HA3  GLY  12           HA3      GLY  12   5.621  14.955 -10.103
   83    H    MET  13           H        MET  13   3.764  12.009  -9.211
   84    HA   MET  13           HA       MET  13   6.120  11.063  -7.711
   85    HB2  MET  13           HB2      MET  13   4.922  10.921  -5.597
   86    HB3  MET  13           HB3      MET  13   5.077  12.574  -6.189
   87    HG2  MET  13           HG2      MET  13   2.915  12.436  -5.321
   88    HG3  MET  13           HG3      MET  13   2.706  12.380  -7.070
   89    HE1  MET  13           HE1      MET  13   0.261  11.835  -5.708
   90    HE2  MET  13           HE2      MET  13  -0.068  10.233  -4.997
   91    HE3  MET  13           HE3      MET  13   1.017  11.376  -4.166
   92    H    THR  14           H        THR  14   5.583   9.000  -6.489
   93    HA   THR  14           HA       THR  14   5.435   7.092  -8.522
   94    HB   THR  14           HB       THR  14   5.435   6.911  -5.498
   95   HG21  THR  14          HG21      THR  14   5.720   4.694  -7.559
   96   HG22  THR  14          HG22      THR  14   6.177   4.554  -5.836
   97   HG23  THR  14          HG23      THR  14   4.481   4.810  -6.284
   98    H    SER  15           H        SER  15   2.739   8.186  -6.487
   99    HA   SER  15           HA       SER  15   0.646   7.337  -6.189
  100    HB2  SER  15           HB2      SER  15   0.994   7.176  -9.198
  101    HB3  SER  15           HB3      SER  15  -0.562   6.984  -8.369
  102    HG   SER  15           HG       SER  15   1.148   9.242  -8.269
  103    H    LEU  16           H        LEU  16   2.043   5.347  -5.205
  104    HA   LEU  16           HA       LEU  16   1.549   2.793  -6.468
  105    HB2  LEU  16           HB2      LEU  16   3.020   3.302  -4.389
  106    HB3  LEU  16           HB3      LEU  16   1.487   3.354  -3.490
  107    HG   LEU  16           HG       LEU  16   1.029   0.974  -4.265
  108   HD11  LEU  16          HD11      LEU  16   3.987   1.061  -4.978
  109   HD12  LEU  16          HD12      LEU  16   2.921  -0.359  -5.009
  110   HD13  LEU  16          HD13      LEU  16   2.672   0.972  -6.163
  111   HD21  LEU  16          HD21      LEU  16   3.471   1.515  -2.563
  112   HD22  LEU  16          HD22      LEU  16   1.780   1.489  -2.015
  113   HD23  LEU  16          HD23      LEU  16   2.552  -0.003  -2.607
  114    H    LYS  17           H        LYS  17  -0.186   1.200  -5.634
  115    HA   LYS  17           HA       LYS  17  -2.445   2.567  -4.325
  116    HB2  LYS  17           HB2      LYS  17  -4.082   1.519  -5.741
  117    HB3  LYS  17           HB3      LYS  17  -2.992   2.486  -6.741
  118    HG2  LYS  17           HG2      LYS  17  -2.069   0.625  -7.772
  119    HG3  LYS  17           HG3      LYS  17  -2.271  -0.400  -6.339
  120    HD2  LYS  17           HD2      LYS  17  -4.769  -0.291  -6.722
  121    HD3  LYS  17           HD3      LYS  17  -4.423   0.404  -8.316
  122    HE2  LYS  17           HE2      LYS  17  -3.234  -1.579  -9.006
  123    HE3  LYS  17           HE3      LYS  17  -3.104  -2.155  -7.335
  124    HZ1  LYS  17           HZ1      LYS  17  -4.801  -3.357  -8.484
  125    HZ2  LYS  17           HZ2      LYS  17  -5.483  -2.438  -7.300
  126    HZ3  LYS  17           HZ3      LYS  17  -5.606  -1.978  -8.869
  127    H    VAL  18           H        VAL  18  -3.896   1.177  -3.201
  128    HA   VAL  18           HA       VAL  18  -2.901  -1.614  -2.656
  129    HB   VAL  18           HB       VAL  18  -3.921   0.408  -0.628
  130   HG11  VAL  18          HG11      VAL  18  -3.208  -2.526  -0.373
  131   HG12  VAL  18          HG12      VAL  18  -3.315  -1.412   1.008
  132   HG13  VAL  18          HG13      VAL  18  -4.748  -1.733   0.008
  133   HG21  VAL  18          HG21      VAL  18  -1.539   0.773  -1.303
  134   HG22  VAL  18          HG22      VAL  18  -1.706   0.246   0.382
  135   HG23  VAL  18          HG23      VAL  18  -1.188  -0.920  -0.848
  136    H    ASP  19           H        ASP  19  -4.567  -3.112  -2.260
  137    HA   ASP  19           HA       ASP  19  -7.388  -2.254  -2.123
  138    HB2  ASP  19           HB2      ASP  19  -6.267  -4.107  -4.273
  139    HB3  ASP  19           HB3      ASP  19  -7.984  -3.787  -3.990
  140    H    ASN  20           H        ASN  20  -8.725  -4.459  -2.167
  141    HA   ASN  20           HA       ASN  20  -9.027  -6.653  -1.791
  142    HB2  ASN  20           HB2      ASN  20  -6.323  -6.716  -2.084
  143    HB3  ASN  20           HB3      ASN  20  -6.461  -7.251  -0.409
  144   HD21  ASN  20          HD22      ASN  20  -5.855  -9.410  -0.845
  145   HD22  ASN  20          HD21      ASN  20  -6.773 -10.459  -1.908
  146    H    LEU  21           H        LEU  21  -9.625  -4.479   0.019
  147    HA   LEU  21           HA       LEU  21  -9.176  -5.072   2.751
  148    HB2  LEU  21           HB2      LEU  21 -11.405  -3.659   1.256
  149    HB3  LEU  21           HB3      LEU  21 -11.369  -3.744   3.005
  150    HG   LEU  21           HG       LEU  21 -10.443  -1.639   1.781
  151   HD11  LEU  21          HD11      LEU  21  -8.889  -2.962   4.022
  152   HD12  LEU  21          HD12      LEU  21  -8.971  -1.214   3.672
  153   HD13  LEU  21          HD13      LEU  21 -10.429  -2.081   4.204
  154   HD21  LEU  21          HD21      LEU  21  -8.779  -2.799   0.328
  155   HD22  LEU  21          HD22      LEU  21  -8.007  -1.655   1.437
  156   HD23  LEU  21          HD23      LEU  21  -7.938  -3.385   1.789
  157    H    THR  22           H        THR  22  -9.800  -6.783   3.913
  158    HA   THR  22           HA       THR  22 -11.784  -8.627   2.918
  159    HB   THR  22           HB       THR  22 -10.475  -8.498   5.667
  160   HG21  THR  22          HG21      THR  22 -11.609 -10.763   3.983
  161   HG22  THR  22          HG22      THR  22 -10.592 -11.014   5.418
  162   HG23  THR  22          HG23      THR  22 -12.168 -10.219   5.599
  163    H    TYR  23           H        TYR  23 -13.545  -9.389   4.564
  164    HA   TYR  23           HA       TYR  23 -15.429  -7.293   4.866
  165    HB2  TYR  23           HB2      TYR  23 -16.821  -9.030   5.873
  166    HB3  TYR  23           HB3      TYR  23 -15.995  -9.639   4.442
  167    HD1  TYR  23           HD1      TYR  23 -14.239 -11.321   4.605
  168    HD2  TYR  23           HD2      TYR  23 -16.231  -9.840   8.112
  169    HE1  TYR  23           HE1      TYR  23 -13.322 -13.220   5.914
  170    HE2  TYR  23           HE2      TYR  23 -15.310 -11.732   9.440
  171    HH   TYR  23           HH       TYR  23 -13.192 -14.227   7.983
  172    H    ARG  24           H        ARG  24 -12.736  -7.449   6.660
  173    HA   ARG  24           HA       ARG  24 -14.073  -6.586   9.176
  174    HB2  ARG  24           HB2      ARG  24 -12.392  -7.832  10.433
  175    HB3  ARG  24           HB3      ARG  24 -13.188  -8.938   9.301
  176    HG2  ARG  24           HG2      ARG  24 -11.280  -8.488   7.670
  177    HG3  ARG  24           HG3      ARG  24 -10.460  -7.613   8.981
  178    HD2  ARG  24           HD2      ARG  24 -10.699  -9.698  10.383
  179    HD3  ARG  24           HD3      ARG  24 -11.292 -10.526   8.924
  180    HE   ARG  24           HE       ARG  24  -8.980  -9.583   7.969
  181   HH11  ARG  24          HH11      ARG  24  -9.607 -11.088  11.116
  182   HH12  ARG  24          HH12      ARG  24  -7.963 -11.650  11.296
  183   HH21  ARG  24          HH21      ARG  24  -6.845 -10.297   8.262
  184   HH22  ARG  24          HH22      ARG  24  -6.407 -11.216   9.685
  185    H    THR  25           H        THR  25 -12.645  -5.260   6.718
  186    HA   THR  25           HA       THR  25 -10.577  -3.781   8.291
  187    HB   THR  25           HB       THR  25 -10.379  -4.173   5.312
  188   HG21  THR  25          HG21      THR  25  -8.818  -2.596   6.437
  189   HG22  THR  25          HG22      THR  25  -8.367  -3.863   7.593
  190   HG23  THR  25          HG23      THR  25  -7.952  -4.035   5.871
  191    H    SER  26           H        SER  26 -10.047  -1.596   7.284
  192    HA   SER  26           HA       SER  26 -12.315  -0.214   5.993
  193    HB2  SER  26           HB2      SER  26 -12.620   1.293   7.921
  194    HB3  SER  26           HB3      SER  26 -12.798  -0.377   8.469
  195    HG   SER  26           HG       SER  26 -11.442   0.828   9.827
  196    HA   PRO  27           HA       PRO  27  -9.015   2.286   4.482
  197    HB2  PRO  27           HB2      PRO  27  -9.951   4.848   4.443
  198    HB3  PRO  27           HB3      PRO  27 -10.610   3.559   3.387
  199    HG2  PRO  27           HG2      PRO  27 -11.699   4.523   6.051
  200    HG3  PRO  27           HG3      PRO  27 -12.599   4.304   4.516
  201    HD2  PRO  27           HD2      PRO  27 -12.629   2.418   6.437
  202    HD3  PRO  27           HD3      PRO  27 -12.550   1.940   4.730
  203    H    ASP  28           H        ASP  28 -10.452   3.301   7.559
  204    HA   ASP  28           HA       ASP  28  -8.330   5.075   8.364
  205    HB2  ASP  28           HB2      ASP  28 -10.442   3.483   9.861
  206    HB3  ASP  28           HB3      ASP  28  -9.337   4.622  10.658
  207    H    THR  29           H        THR  29  -8.867   1.541   8.604
  208    HA   THR  29           HA       THR  29  -6.530   1.122  10.285
  209    HB   THR  29           HB       THR  29  -8.135  -0.790   8.529
  210   HG21  THR  29          HG21      THR  29  -5.999  -1.232  10.656
  211   HG22  THR  29          HG22      THR  29  -7.028  -2.524   9.969
  212   HG23  THR  29          HG23      THR  29  -5.889  -1.650   8.927
  213    H    LEU  30           H        LEU  30  -7.337   0.859   6.783
  214    HA   LEU  30           HA       LEU  30  -4.826  -0.058   5.894
  215    HB2  LEU  30           HB2      LEU  30  -7.279   1.079   4.815
  216    HB3  LEU  30           HB3      LEU  30  -5.883   1.705   3.936
  217    HG   LEU  30           HG       LEU  30  -6.951  -0.389   2.986
  218   HD11  LEU  30          HD11      LEU  30  -4.027  -0.440   3.791
  219   HD12  LEU  30          HD12      LEU  30  -4.765  -1.587   2.642
  220   HD13  LEU  30          HD13      LEU  30  -4.736   0.146   2.269
  221   HD21  LEU  30          HD21      LEU  30  -7.324  -1.473   5.246
  222   HD22  LEU  30          HD22      LEU  30  -6.567  -2.518   4.019
  223   HD23  LEU  30          HD23      LEU  30  -5.578  -1.816   5.309
  224    H    ARG  31           H        ARG  31  -5.687   3.046   7.202
  225    HA   ARG  31           HA       ARG  31  -3.437   4.428   5.935
  226    HB2  ARG  31           HB2      ARG  31  -5.453   5.676   6.578
  227    HB3  ARG  31           HB3      ARG  31  -5.273   5.152   8.253
  228    HG2  ARG  31           HG2      ARG  31  -4.470   7.484   7.875
  229    HG3  ARG  31           HG3      ARG  31  -3.210   6.418   8.503
  230    HD2  ARG  31           HD2      ARG  31  -2.278   6.172   6.202
  231    HD3  ARG  31           HD3      ARG  31  -3.545   7.248   5.585
  232    HE   ARG  31           HE       ARG  31  -1.448   8.042   7.575
  233   HH11  ARG  31          HH11      ARG  31  -3.523   8.874   4.819
  234   HH12  ARG  31          HH12      ARG  31  -2.839  10.474   4.676
  235   HH21  ARG  31          HH21      ARG  31  -0.628  10.075   7.375
  236   HH22  ARG  31          HH22      ARG  31  -1.203  11.171   6.129
  237    H    ARG  32           H        ARG  32  -4.225   3.432   9.346
  238    HA   ARG  32           HA       ARG  32  -1.566   4.086  10.216
  239    HB2  ARG  32           HB2      ARG  32  -2.231   3.103  12.339
  240    HB3  ARG  32           HB3      ARG  32  -3.516   4.118  11.680
  241    HG2  ARG  32           HG2      ARG  32  -4.725   2.295  12.422
  242    HG3  ARG  32           HG3      ARG  32  -4.486   1.876  10.722
  243    HD2  ARG  32           HD2      ARG  32  -4.087  -0.068  12.113
  244    HD3  ARG  32           HD3      ARG  32  -2.551   0.432  11.389
  245    HE   ARG  32           HE       ARG  32  -2.866   1.672  13.954
  246   HH11  ARG  32          HH11      ARG  32  -2.228  -1.482  12.491
  247   HH12  ARG  32          HH12      ARG  32  -1.278  -2.050  13.847
  248   HH21  ARG  32          HH21      ARG  32  -1.638   0.900  15.713
  249   HH22  ARG  32          HH22      ARG  32  -0.975  -0.715  15.678
  250    H    VAL  33           H        VAL  33  -2.710   1.427   8.433
  251    HA   VAL  33           HA       VAL  33  -0.630  -0.425   9.408
  252    HB   VAL  33           HB       VAL  33  -2.895  -0.591   7.377
  253   HG11  VAL  33          HG11      VAL  33  -0.862  -2.732   8.118
  254   HG12  VAL  33          HG12      VAL  33  -2.358  -2.994   7.182
  255   HG13  VAL  33          HG13      VAL  33  -1.070  -1.970   6.520
  256   HG21  VAL  33          HG21      VAL  33  -3.521  -0.673   9.759
  257   HG22  VAL  33          HG22      VAL  33  -3.784  -2.243   8.969
  258   HG23  VAL  33          HG23      VAL  33  -2.366  -2.001  10.024
  259    H    PHE  34           H        PHE  34  -1.326   1.671   6.584
  260    HA   PHE  34           HA       PHE  34   1.187   0.698   5.310
  261    HB2  PHE  34           HB2      PHE  34  -1.372   1.958   4.382
  262    HB3  PHE  34           HB3      PHE  34   0.054   2.242   3.441
  263    HD1  PHE  34           HD2      PHE  34  -2.128  -0.430   4.809
  264    HD2  PHE  34           HD1      PHE  34   0.983   0.519   2.002
  265    HE1  PHE  34           HE2      PHE  34  -2.468  -2.610   3.694
  266    HE2  PHE  34           HE1      PHE  34   0.674  -1.667   0.906
  267    HZ   PHE  34           HZ       PHE  34  -1.065  -3.239   1.730
  268    H    GLU  35           H        GLU  35   0.086   3.292   7.266
  269    HA   GLU  35           HA       GLU  35   1.732   5.362   6.106
  270    HB2  GLU  35           HB2      GLU  35  -0.188   5.909   7.487
  271    HB3  GLU  35           HB3      GLU  35   0.471   4.963   8.844
  272    HG2  GLU  35           HG2      GLU  35   2.266   6.521   9.155
  273    HG3  GLU  35           HG3      GLU  35   1.857   7.384   7.650
  274    H    LYS  36           H        LYS  36   2.337   2.635   8.268
  275    HA   LYS  36           HA       LYS  36   4.610   3.787   9.589
  276    HB2  LYS  36           HB2      LYS  36   4.973   1.567  10.462
  277    HB3  LYS  36           HB3      LYS  36   3.233   1.925  10.486
  278    HG2  LYS  36           HG2      LYS  36   3.010   0.620   8.337
  279    HG3  LYS  36           HG3      LYS  36   4.728   0.174   8.496
  280    HD2  LYS  36           HD2      LYS  36   4.214  -0.767  10.772
  281    HD3  LYS  36           HD3      LYS  36   2.498  -0.407  10.490
  282    HE2  LYS  36           HE2      LYS  36   2.842  -2.722   9.953
  283    HE3  LYS  36           HE3      LYS  36   2.603  -1.848   8.429
  284    HZ1  LYS  36           HZ1      LYS  36   4.446  -3.377   8.308
  285    HZ2  LYS  36           HZ2      LYS  36   5.004  -1.838   8.164
  286    HZ3  LYS  36           HZ3      LYS  36   5.196  -2.654   9.583
  287    H    TYR  37           H        TYR  37   4.207   2.219   6.506
  288    HA   TYR  37           HA       TYR  37   6.989   1.545   6.115
  289    HB2  TYR  37           HB2      TYR  37   4.677   1.955   4.183
  290    HB3  TYR  37           HB3      TYR  37   6.275   1.368   3.716
  291    HD1  TYR  37           HD1      TYR  37   3.200   0.546   5.626
  292    HD2  TYR  37           HD2      TYR  37   7.013  -0.859   4.213
  293    HE1  TYR  37           HE1      TYR  37   2.583  -1.743   6.275
  294    HE2  TYR  37           HE2      TYR  37   6.393  -3.184   4.852
  295    HH   TYR  37           HH       TYR  37   3.242  -3.964   6.349
  296    H    GLY  38           H        GLY  38   5.188   4.544   5.946
  297    HA2  GLY  38           HA2      GLY  38   7.435   6.155   5.875
  298    HA3  GLY  38           HA3      GLY  38   7.048   5.878   4.164
  299    H    ARG  39           H        ARG  39   5.045   6.647   3.297
  300    HA   ARG  39           HA       ARG  39   3.173   8.076   5.010
  301    HB2  ARG  39           HB2      ARG  39   3.400  10.199   3.698
  302    HB3  ARG  39           HB3      ARG  39   4.732   9.873   4.823
  303    HG2  ARG  39           HG2      ARG  39   6.174   9.158   2.991
  304    HG3  ARG  39           HG3      ARG  39   4.826   9.293   1.843
  305    HD2  ARG  39           HD2      ARG  39   6.166  11.322   1.655
  306    HD3  ARG  39           HD3      ARG  39   4.638  11.735   2.434
  307    HE   ARG  39           HE       ARG  39   5.756  12.210   4.416
  308   HH11  ARG  39          HH11      ARG  39   7.973  10.655   2.146
  309   HH12  ARG  39          HH12      ARG  39   9.390  11.014   3.103
  310   HH21  ARG  39          HH21      ARG  39   7.621  12.662   5.647
  311   HH22  ARG  39          HH22      ARG  39   9.189  12.156   5.066
  312    H    VAL  40           H        VAL  40   1.434   9.067   3.781
  313    HA   VAL  40           HA       VAL  40   0.760   7.525   1.317
  314    HB   VAL  40           HB       VAL  40  -0.891   7.887   3.855
  315   HG11  VAL  40          HG11      VAL  40  -1.591   6.512   1.238
  316   HG12  VAL  40          HG12      VAL  40  -2.563   6.451   2.725
  317   HG13  VAL  40          HG13      VAL  40  -2.331   7.997   1.889
  318   HG21  VAL  40          HG21      VAL  40  -0.803   5.405   3.974
  319   HG22  VAL  40          HG22      VAL  40   0.277   5.388   2.559
  320   HG23  VAL  40          HG23      VAL  40   0.816   6.121   4.087
  321    H    GLY  41           H        GLY  41  -0.339   8.745  -0.180
  322    HA2  GLY  41           HA2      GLY  41  -0.668  11.627   0.454
  323    HA3  GLY  41           HA3      GLY  41  -0.630  10.877  -1.159
  324    H    ASP  42           H        ASP  42  -2.503   8.694  -0.137
  325    HA   ASP  42           HA       ASP  42  -4.914  10.044   0.717
  326    HB2  ASP  42           HB2      ASP  42  -4.871  10.636  -1.705
  327    HB3  ASP  42           HB3      ASP  42  -4.741   8.919  -2.113
  328    H    VAL  43           H        VAL  43  -6.556   8.596   1.257
  329    HA   VAL  43           HA       VAL  43  -6.346   5.750   0.654
  330    HB   VAL  43           HB       VAL  43  -5.033   5.630   2.596
  331   HG11  VAL  43          HG11      VAL  43  -5.340   7.911   3.465
  332   HG12  VAL  43          HG12      VAL  43  -6.976   7.489   4.025
  333   HG13  VAL  43          HG13      VAL  43  -5.555   6.697   4.732
  334   HG21  VAL  43          HG21      VAL  43  -7.062   4.120   2.480
  335   HG22  VAL  43          HG22      VAL  43  -6.347   4.344   4.089
  336   HG23  VAL  43          HG23      VAL  43  -7.846   5.204   3.640
  337    H    TYR  44           H        TYR  44  -8.247   5.532  -0.262
  338    HA   TYR  44           HA       TYR  44 -10.642   6.753   0.974
  339    HB2  TYR  44           HB2      TYR  44  -9.802   8.555  -0.288
  340    HB3  TYR  44           HB3      TYR  44  -9.232   7.508  -1.575
  341    HD1  TYR  44           HD2      TYR  44 -12.444   8.732  -0.045
  342    HD2  TYR  44           HD1      TYR  44 -10.360   7.295  -3.526
  343    HE1  TYR  44           HE2      TYR  44 -14.435   9.240  -1.456
  344    HE2  TYR  44           HE1      TYR  44 -12.316   7.801  -4.931
  345    HH   TYR  44           HH       TYR  44 -14.497   8.503  -4.967
  346    H    ILE  45           H        ILE  45 -12.621   6.137  -0.181
  347    HA   ILE  45           HA       ILE  45 -12.385   3.484  -1.502
  348    HB   ILE  45           HB       ILE  45 -14.130   4.151   0.905
  349   HG12  ILE  45          HG12      ILE  45 -11.593   2.542   0.524
  350   HG13  ILE  45          HG13      ILE  45 -11.883   3.891   1.643
  351   HG21  ILE  45          HG21      ILE  45 -13.763   1.489  -0.543
  352   HG22  ILE  45          HG22      ILE  45 -14.810   1.817   0.851
  353   HG23  ILE  45          HG23      ILE  45 -15.190   2.543  -0.713
  354   HD11  ILE  45          HD11      ILE  45 -11.833   1.782   2.850
  355   HD12  ILE  45          HD12      ILE  45 -13.491   2.448   2.894
  356   HD13  ILE  45          HD13      ILE  45 -13.080   1.086   1.817
  357    HA   PRO  46           HA       PRO  46 -15.595   5.485  -3.952
  358    HB2  PRO  46           HB2      PRO  46 -15.825   3.581  -5.884
  359    HB3  PRO  46           HB3      PRO  46 -14.385   4.639  -5.744
  360    HG2  PRO  46           HG2      PRO  46 -14.742   1.824  -4.696
  361    HG3  PRO  46           HG3      PRO  46 -13.381   2.491  -5.664
  362    HD2  PRO  46           HD2      PRO  46 -13.299   2.283  -2.921
  363    HD3  PRO  46           HD3      PRO  46 -12.485   3.605  -3.808
  364    H    ARG  47           H        ARG  47 -16.455   4.569  -1.551
  365    HA   ARG  47           HA       ARG  47 -18.373   2.423  -1.756
  366    HB2  ARG  47           HB2      ARG  47 -17.204   3.086   0.352
  367    HB3  ARG  47           HB3      ARG  47 -18.069   4.626   0.332
  368    HG2  ARG  47           HG2      ARG  47 -19.111   3.007   1.876
  369    HG3  ARG  47           HG3      ARG  47 -20.221   3.430   0.572
  370    HD2  ARG  47           HD2      ARG  47 -19.626   1.338  -0.616
  371    HD3  ARG  47           HD3      ARG  47 -18.481   0.924   0.673
  372    HE   ARG  47           HE       ARG  47 -21.438   0.837   0.768
  373   HH11  ARG  47          HH11      ARG  47 -18.397   0.562   2.553
  374   HH12  ARG  47          HH12      ARG  47 -19.125  -0.299   3.892
  375   HH21  ARG  47          HH21      ARG  47 -22.359  -0.288   2.532
  376   HH22  ARG  47          HH22      ARG  47 -21.363  -0.768   3.885
  377    H    ASP  48           H        ASP  48 -19.286   3.335  -3.801
  378    HA   ASP  48           HA       ASP  48 -20.857   4.424  -5.026
  379    HB2  ASP  48           HB2      ASP  48 -23.064   4.113  -4.278
  380    HB3  ASP  48           HB3      ASP  48 -22.094   2.718  -3.810
  381    H    ARG  49           H        ARG  49 -23.085   5.841  -4.218
  382    HA   ARG  49           HA       ARG  49 -22.660   8.410  -3.150
  383    HB2  ARG  49           HB2      ARG  49 -20.920   8.930  -4.613
  384    HB3  ARG  49           HB3      ARG  49 -21.526   7.875  -5.879
  385    HG2  ARG  49           HG2      ARG  49 -23.370   9.527  -6.324
  386    HG3  ARG  49           HG3      ARG  49 -22.606  10.634  -5.166
  387    HD2  ARG  49           HD2      ARG  49 -20.997   9.327  -7.381
  388    HD3  ARG  49           HD3      ARG  49 -21.994  10.744  -7.748
  389    HE   ARG  49           HE       ARG  49 -19.556  10.663  -6.083
  390   HH11  ARG  49          HH11      ARG  49 -22.286  12.584  -7.316
  391   HH12  ARG  49          HH12      ARG  49 -21.525  14.094  -6.906
  392   HH21  ARG  49          HH21      ARG  49 -18.604  12.649  -5.625
  393   HH22  ARG  49          HH22      ARG  49 -19.465  14.140  -5.919
  394    H    TYR  50           H        TYR  50 -24.037   6.260  -5.586
  395    HA   TYR  50           HA       TYR  50 -26.736   7.183  -4.936
  396    HB2  TYR  50           HB2      TYR  50 -27.342   7.648  -7.234
  397    HB3  TYR  50           HB3      TYR  50 -26.000   8.698  -6.770
  398    HD1  TYR  50           HD2      TYR  50 -23.572   7.676  -7.311
  399    HD2  TYR  50           HD1      TYR  50 -27.224   6.587  -9.309
  400    HE1  TYR  50           HE2      TYR  50 -22.265   6.797  -9.174
  401    HE2  TYR  50           HE1      TYR  50 -25.909   5.742 -11.243
  402    HH   TYR  50           HH       TYR  50 -23.821   5.383 -12.110
  403    H    THR  51           H        THR  51 -24.734   4.693  -5.098
  404    HA   THR  51           HA       THR  51 -26.565   2.880  -6.611
  405    HB   THR  51           HB       THR  51 -24.617   1.640  -7.360
  406   HG21  THR  51          HG21      THR  51 -23.529   3.310  -8.763
  407   HG22  THR  51          HG22      THR  51 -25.267   3.713  -8.630
  408   HG23  THR  51          HG23      THR  51 -24.055   4.607  -7.659
  409    H    LYS  52           H        LYS  52 -25.239   3.638  -3.649
  410    HA   LYS  52           HA       LYS  52 -24.837   2.586  -1.704
  411    HB2  LYS  52           HB2      LYS  52 -26.752   1.510  -0.734
  412    HB3  LYS  52           HB3      LYS  52 -27.216   2.957  -1.632
  413    HG2  LYS  52           HG2      LYS  52 -27.365   0.290  -3.032
  414    HG3  LYS  52           HG3      LYS  52 -28.573   0.665  -1.799
  415    HD2  LYS  52           HD2      LYS  52 -29.229   2.711  -2.936
  416    HD3  LYS  52           HD3      LYS  52 -28.009   2.470  -4.194
  417    HE2  LYS  52           HE2      LYS  52 -30.291   0.564  -3.561
  418    HE3  LYS  52           HE3      LYS  52 -30.268   1.731  -4.897
  419    HZ1  LYS  52           HZ1      LYS  52 -28.360   0.585  -5.791
  420    HZ2  LYS  52           HZ2      LYS  52 -28.373  -0.499  -4.554
  421    HZ3  LYS  52           HZ3      LYS  52 -29.620  -0.460  -5.620
  422    H    GLU  53           H        GLU  53 -23.241   1.295  -3.554
  423    HA   GLU  53           HA       GLU  53 -23.156  -1.382  -2.319
  424    HB2  GLU  53           HB2      GLU  53 -22.552  -2.383  -4.486
  425    HB3  GLU  53           HB3      GLU  53 -24.187  -1.703  -4.483
  426    HG2  GLU  53           HG2      GLU  53 -23.370   0.330  -5.616
  427    HG3  GLU  53           HG3      GLU  53 -21.727  -0.329  -5.634
  428    H    SER  54           H        SER  54 -20.892  -2.354  -3.313
  429    HA   SER  54           HA       SER  54 -18.764  -0.334  -2.816
  430    HB2  SER  54           HB2      SER  54 -19.555  -1.225  -0.616
  431    HB3  SER  54           HB3      SER  54 -19.118  -2.855  -1.162
  432    HG   SER  54           HG       SER  54 -17.461  -1.821   0.066
  433    H    ARG  55           H        ARG  55 -16.579  -1.800  -2.620
  434    HA   ARG  55           HA       ARG  55 -16.540  -3.595  -5.015
  435    HB2  ARG  55           HB2      ARG  55 -14.663  -1.276  -4.442
  436    HB3  ARG  55           HB3      ARG  55 -14.519  -2.433  -5.782
  437    HG2  ARG  55           HG2      ARG  55 -16.907  -0.583  -5.392
  438    HG3  ARG  55           HG3      ARG  55 -15.518  -0.240  -6.443
  439    HD2  ARG  55           HD2      ARG  55 -15.958  -2.299  -7.725
  440    HD3  ARG  55           HD3      ARG  55 -17.334  -2.680  -6.687
  441    HE   ARG  55           HE       ARG  55 -17.153  -0.397  -8.607
  442   HH11  ARG  55          HH11      ARG  55 -19.114  -2.478  -6.500
  443   HH12  ARG  55          HH12      ARG  55 -20.618  -1.924  -7.206
  444   HH21  ARG  55          HH21      ARG  55 -19.164   0.323  -9.435
  445   HH22  ARG  55          HH22      ARG  55 -20.646  -0.355  -8.791
  446    H    GLY  56           H        GLY  56 -15.784  -3.286  -1.750
  447    HA2  GLY  56           HA2      GLY  56 -14.708  -4.788  -0.398
  448    HA3  GLY  56           HA3      GLY  56 -14.378  -5.802  -1.811
  449    H    PHE  57           H        PHE  57 -13.271  -2.434  -1.792
  450    HA   PHE  57           HA       PHE  57 -10.632  -3.152  -0.722
  451    HB2  PHE  57           HB2      PHE  57  -9.432  -2.455  -2.719
  452    HB3  PHE  57           HB3      PHE  57 -10.416  -3.883  -3.017
  453    HD1  PHE  57           HD1      PHE  57 -10.551  -0.131  -3.403
  454    HD2  PHE  57           HD2      PHE  57 -11.745  -3.980  -4.928
  455    HE1  PHE  57           HE1      PHE  57 -11.490   0.948  -5.414
  456    HE2  PHE  57           HE2      PHE  57 -12.608  -2.893  -6.977
  457    HZ   PHE  57           HZ       PHE  57 -12.505  -0.426  -7.216
  458    H    ALA  58           H        ALA  58  -9.158  -1.216  -0.854
  459    HA   ALA  58           HA       ALA  58 -10.598   1.369  -0.751
  460    HB1  ALA  58           HB1      ALA  58 -10.513   0.519   1.582
  461    HB2  ALA  58           HB2      ALA  58  -8.750   0.340   1.452
  462    HB3  ALA  58           HB3      ALA  58  -9.480   1.947   1.367
  463    H    PHE  59           H        PHE  59  -9.637   2.358  -2.395
  464    HA   PHE  59           HA       PHE  59  -6.998   1.682  -3.323
  465    HB2  PHE  59           HB2      PHE  59  -8.757   2.306  -4.863
  466    HB3  PHE  59           HB3      PHE  59  -9.029   3.825  -4.030
  467    HD1  PHE  59           HD2      PHE  59  -6.734   2.060  -6.421
  468    HD2  PHE  59           HD1      PHE  59  -7.708   5.756  -4.416
  469    HE1  PHE  59           HE2      PHE  59  -5.188   3.269  -7.891
  470    HE2  PHE  59           HE1      PHE  59  -6.225   6.973  -5.959
  471    HZ   PHE  59           HZ       PHE  59  -4.896   5.725  -7.666
  472    H    VAL  60           H        VAL  60  -5.587   2.008  -1.636
  473    HA   VAL  60           HA       VAL  60  -5.202   4.723  -0.550
  474    HB   VAL  60           HB       VAL  60  -3.352   2.306  -0.452
  475   HG11  VAL  60          HG11      VAL  60  -3.480   4.841   1.231
  476   HG12  VAL  60          HG12      VAL  60  -2.471   3.422   1.588
  477   HG13  VAL  60          HG13      VAL  60  -2.164   4.358   0.119
  478   HG21  VAL  60          HG21      VAL  60  -5.538   3.304   1.425
  479   HG22  VAL  60          HG22      VAL  60  -5.497   1.742   0.579
  480   HG23  VAL  60          HG23      VAL  60  -4.326   2.087   1.883
  481    H    ARG  61           H        ARG  61  -3.138   5.914  -0.965
  482    HA   ARG  61           HA       ARG  61  -1.880   5.280  -3.555
  483    HB2  ARG  61           HB2      ARG  61  -3.886   6.863  -3.864
  484    HB3  ARG  61           HB3      ARG  61  -2.980   8.047  -2.920
  485    HG2  ARG  61           HG2      ARG  61  -1.119   7.905  -4.595
  486    HG3  ARG  61           HG3      ARG  61  -2.079   6.699  -5.491
  487    HD2  ARG  61           HD2      ARG  61  -3.946   8.484  -5.501
  488    HD3  ARG  61           HD3      ARG  61  -2.684   9.646  -5.056
  489    HE   ARG  61           HE       ARG  61  -1.471   8.788  -7.159
  490   HH11  ARG  61          HH11      ARG  61  -4.993   8.946  -6.827
  491   HH12  ARG  61          HH12      ARG  61  -5.267   8.872  -8.546
  492   HH21  ARG  61          HH21      ARG  61  -1.866   8.778  -9.397
  493   HH22  ARG  61          HH22      ARG  61  -3.519   8.796  -9.995
  494    H    PHE  62           H        PHE  62   0.335   5.607  -3.469
  495    HA   PHE  62           HA       PHE  62   1.400   7.163  -1.128
  496    HB2  PHE  62           HB2      PHE  62   2.522   4.807  -2.674
  497    HB3  PHE  62           HB3      PHE  62   3.523   5.845  -1.700
  498    HD1  PHE  62           HD2      PHE  62   0.210   4.097  -1.130
  499    HD2  PHE  62           HD1      PHE  62   4.155   5.063   0.305
  500    HE1  PHE  62           HE2      PHE  62  -0.179   2.718   0.895
  501    HE2  PHE  62           HE1      PHE  62   3.789   3.613   2.280
  502    HZ   PHE  62           HZ       PHE  62   1.668   2.402   2.553
  503    H    HIS  63           H        HIS  63   3.540   8.142  -1.503
  504    HA   HIS  63           HA       HIS  63   3.803   9.170  -4.284
  505    HB2  HIS  63           HB2      HIS  63   4.830  11.193  -2.764
  506    HB3  HIS  63           HB3      HIS  63   3.233  11.148  -3.494
  507    HD2  HIS  63           HD2      HIS  63   4.082   9.323  -0.066
  508    HE1  HIS  63           HE1      HIS  63   1.270  12.426   0.634
  509    HE2  HIS  63           HE2      HIS  63   2.541  10.473   1.669
  510    H    ASP  64           H        ASP  64   5.533   8.235  -1.323
  511    HA   ASP  64           HA       ASP  64   8.137   8.772  -2.521
  512    HB2  ASP  64           HB2      ASP  64   7.043   7.495  -0.042
  513    HB3  ASP  64           HB3      ASP  64   8.711   7.100  -0.519
  514    H    LYS  65           H        LYS  65   9.113   7.516  -4.027
  515    HA   LYS  65           HA       LYS  65   8.029   5.059  -4.957
  516    HB2  LYS  65           HB2      LYS  65   9.447   6.354  -6.401
  517    HB3  LYS  65           HB3      LYS  65  10.729   6.404  -5.198
  518    HG2  LYS  65           HG2      LYS  65  11.227   4.859  -7.073
  519    HG3  LYS  65           HG3      LYS  65  11.234   4.059  -5.498
  520    HD2  LYS  65           HD2      LYS  65  10.134   2.682  -7.227
  521    HD3  LYS  65           HD3      LYS  65   9.013   3.103  -5.933
  522    HE2  LYS  65           HE2      LYS  65   7.893   3.339  -8.062
  523    HE3  LYS  65           HE3      LYS  65   8.081   4.934  -7.326
  524    HZ1  LYS  65           HZ1      LYS  65   9.813   3.798  -9.429
  525    HZ2  LYS  65           HZ2      LYS  65   8.667   4.952  -9.657
  526    HZ3  LYS  65           HZ3      LYS  65   9.993   5.288  -8.747
  527    H    ARG  66           H        ARG  66  10.885   5.671  -2.820
  528    HA   ARG  66           HA       ARG  66  11.518   2.934  -2.520
  529    HB2  ARG  66           HB2      ARG  66  12.961   3.576  -0.742
  530    HB3  ARG  66           HB3      ARG  66  13.085   4.738  -2.055
  531    HG2  ARG  66           HG2      ARG  66  11.435   5.155   0.473
  532    HG3  ARG  66           HG3      ARG  66  13.099   5.705   0.266
  533    HD2  ARG  66           HD2      ARG  66  10.698   6.654  -1.347
  534    HD3  ARG  66           HD3      ARG  66  11.572   7.550  -0.102
  535    HE   ARG  66           HE       ARG  66  13.341   6.663  -2.209
  536   HH11  ARG  66          HH11      ARG  66  11.002   9.188  -1.332
  537   HH12  ARG  66          HH12      ARG  66  11.674  10.344  -2.447
  538   HH21  ARG  66          HH21      ARG  66  14.174   8.212  -3.669
  539   HH22  ARG  66          HH22      ARG  66  13.467   9.805  -3.740
  540    H    ASP  67           H        ASP  67   9.154   4.913  -0.742
  541    HA   ASP  67           HA       ASP  67   8.870   2.839   1.321
  542    HB2  ASP  67           HB2      ASP  67   7.287   5.379   0.769
  543    HB3  ASP  67           HB3      ASP  67   7.096   4.335   2.177
  544    H    ALA  68           H        ALA  68   7.474   3.672  -1.791
  545    HA   ALA  68           HA       ALA  68   4.987   2.243  -1.379
  546    HB1  ALA  68           HB1      ALA  68   6.489   3.342  -3.790
  547    HB2  ALA  68           HB2      ALA  68   4.874   2.625  -3.896
  548    HB3  ALA  68           HB3      ALA  68   5.110   4.116  -2.955
  549    H    GLU  69           H        GLU  69   8.161   1.647  -3.020
  550    HA   GLU  69           HA       GLU  69   7.267  -0.903  -4.018
  551    HB2  GLU  69           HB2      GLU  69   9.593  -1.259  -4.663
  552    HB3  GLU  69           HB3      GLU  69   9.033   0.341  -5.172
  553    HG2  GLU  69           HG2      GLU  69  10.238   1.420  -3.393
  554    HG3  GLU  69           HG3      GLU  69  10.569  -0.118  -2.592
  555    H    ASP  70           H        ASP  70   8.797   0.165  -0.991
  556    HA   ASP  70           HA       ASP  70   9.538  -2.513  -0.204
  557    HB2  ASP  70           HB2      ASP  70  10.557  -0.444   0.721
  558    HB3  ASP  70           HB3      ASP  70   9.004  -0.031   1.474
  559    H    ALA  71           H        ALA  71   6.637  -0.426   0.299
  560    HA   ALA  71           HA       ALA  71   5.412  -2.160   2.201
  561    HB1  ALA  71           HB1      ALA  71   4.145  -0.210   0.226
  562    HB2  ALA  71           HB2      ALA  71   3.366  -0.869   1.679
  563    HB3  ALA  71           HB3      ALA  71   4.764   0.217   1.839
  564    H    MET  72           H        MET  72   5.445  -2.198  -1.376
  565    HA   MET  72           HA       MET  72   3.333  -4.209  -1.442
  566    HB2  MET  72           HB2      MET  72   3.344  -3.964  -3.669
  567    HB3  MET  72           HB3      MET  72   4.168  -2.450  -3.266
  568    HG2  MET  72           HG2      MET  72   6.349  -3.526  -3.733
  569    HG3  MET  72           HG3      MET  72   5.530  -5.064  -4.041
  570    HE1  MET  72           HE1      MET  72   6.616  -1.614  -5.629
  571    HE2  MET  72           HE2      MET  72   5.229  -1.306  -6.692
  572    HE3  MET  72           HE3      MET  72   5.007  -1.345  -4.925
  573    H    ASP  73           H        ASP  73   6.894  -4.103  -1.541
  574    HA   ASP  73           HA       ASP  73   7.165  -6.960  -1.988
  575    HB2  ASP  73           HB2      ASP  73   8.766  -5.212  -2.803
  576    HB3  ASP  73           HB3      ASP  73   9.204  -4.876  -1.122
  577    H    ALA  74           H        ALA  74   6.028  -5.387   0.721
  578    HA   ALA  74           HA       ALA  74   7.374  -7.352   2.508
  579    HB1  ALA  74           HB1      ALA  74   6.698  -4.460   3.096
  580    HB2  ALA  74           HB2      ALA  74   7.400  -5.611   4.251
  581    HB3  ALA  74           HB3      ALA  74   8.337  -5.111   2.815
  582    H    MET  75           H        MET  75   4.363  -6.123   1.315
  583    HA   MET  75           HA       MET  75   3.069  -7.654   3.486
  584    HB2  MET  75           HB2      MET  75   3.350  -5.076   3.949
  585    HB3  MET  75           HB3      MET  75   1.928  -4.946   2.888
  586    HG2  MET  75           HG2      MET  75   0.690  -6.476   4.316
  587    HG3  MET  75           HG3      MET  75   2.145  -6.840   5.248
  588    HE1  MET  75           HE1      MET  75   0.460  -2.535   5.325
  589    HE2  MET  75           HE2      MET  75   1.595  -3.183   4.130
  590    HE3  MET  75           HE3      MET  75  -0.093  -3.752   4.154
  591    H    ASP  76           H        ASP  76   2.943  -6.623   0.115
  592    HA   ASP  76           HA       ASP  76   0.198  -7.187  -0.364
  593    HB2  ASP  76           HB2      ASP  76   1.554  -6.246  -2.102
  594    HB3  ASP  76           HB3      ASP  76   2.743  -7.557  -1.985
  595    H    GLY  77           H        GLY  77  -0.949  -8.976  -0.088
  596    HA2  GLY  77           HA2      GLY  77  -1.498 -11.205  -0.103
  597    HA3  GLY  77           HA3      GLY  77   0.121 -11.596  -0.710
  598    H    ALA  78           H        ALA  78  -0.366  -9.774   2.341
  599    HA   ALA  78           HA       ALA  78   1.035 -11.902   3.778
  600    HB1  ALA  78           HB1      ALA  78  -0.165  -9.287   4.816
  601    HB2  ALA  78           HB2      ALA  78   1.001 -10.329   5.646
  602    HB3  ALA  78           HB3      ALA  78   1.489  -9.462   4.176
  603    H    VAL  79           H        VAL  79  -1.291 -12.813   2.686
  604    HA   VAL  79           HA       VAL  79  -3.625 -12.419   4.281
  605    HB   VAL  79           HB       VAL  79  -3.422 -12.857   1.811
  606   HG11  VAL  79          HG11      VAL  79  -1.910 -14.860   1.948
  607   HG12  VAL  79          HG12      VAL  79  -3.243 -15.773   2.689
  608   HG13  VAL  79          HG13      VAL  79  -3.391 -15.168   1.022
  609   HG21  VAL  79          HG21      VAL  79  -5.498 -12.768   2.925
  610   HG22  VAL  79          HG22      VAL  79  -5.397 -13.847   1.516
  611   HG23  VAL  79          HG23      VAL  79  -5.475 -14.558   3.147
  612    H    LEU  80           H        LEU  80  -5.030 -14.274   4.747
  613    HA   LEU  80           HA       LEU  80  -3.683 -16.589   5.934
  614    HB2  LEU  80           HB2      LEU  80  -4.146 -16.245   8.174
  615    HB3  LEU  80           HB3      LEU  80  -3.631 -14.641   7.644
  616    HG   LEU  80           HG       LEU  80  -6.501 -15.592   8.103
  617   HD11  LEU  80          HD11      LEU  80  -4.769 -13.562   9.566
  618   HD12  LEU  80          HD12      LEU  80  -6.451 -13.976   9.943
  619   HD13  LEU  80          HD13      LEU  80  -5.175 -15.197  10.143
  620   HD21  LEU  80          HD21      LEU  80  -6.460 -13.939   6.267
  621   HD22  LEU  80          HD22      LEU  80  -7.131 -13.226   7.743
  622   HD23  LEU  80          HD23      LEU  80  -5.458 -12.853   7.273
  623    H    ASP  81           H        ASP  81  -6.289 -15.408   4.259
  624    HA   ASP  81           HA       ASP  81  -7.803 -17.850   4.884
  625    HB2  ASP  81           HB2      ASP  81  -8.634 -16.029   6.383
  626    HB3  ASP  81           HB3      ASP  81  -9.047 -15.070   4.955
  627    H    GLY  82           H        GLY  82  -6.469 -15.864   2.553
  628    HA2  GLY  82           HA2      GLY  82  -6.762 -16.978   0.306
  629    HA3  GLY  82           HA3      GLY  82  -8.505 -16.768   0.546
  630    H    ARG  83           H        ARG  83  -7.738 -14.086   1.954
  631    HA   ARG  83           HA       ARG  83  -6.461 -12.476  -0.045
  632    HB2  ARG  83           HB2      ARG  83  -8.236 -11.218  -0.925
  633    HB3  ARG  83           HB3      ARG  83  -8.829 -12.871  -0.991
  634    HG2  ARG  83           HG2      ARG  83 -10.661 -12.021  -0.012
  635    HG3  ARG  83           HG3      ARG  83  -9.698 -12.162   1.476
  636    HD2  ARG  83           HD2      ARG  83 -10.664  -9.933   1.405
  637    HD3  ARG  83           HD3      ARG  83  -8.934  -9.763   1.085
  638    HE   ARG  83           HE       ARG  83  -9.383  -9.314  -1.206
  639   HH11  ARG  83          HH11      ARG  83 -12.367  -9.795   0.647
  640   HH12  ARG  83          HH12      ARG  83 -13.365  -9.043  -0.576
  641   HH21  ARG  83          HH21      ARG  83 -10.712  -8.387  -2.770
  642   HH22  ARG  83          HH22      ARG  83 -12.434  -8.243  -2.501
  643    H    GLU  84           H        GLU  84  -5.539 -10.819   1.018
  644    HA   GLU  84           HA       GLU  84  -6.936  -9.705   3.388
  645    HB2  GLU  84           HB2      GLU  84  -4.210 -10.857   3.420
  646    HB3  GLU  84           HB3      GLU  84  -4.585  -9.454   4.433
  647    HG2  GLU  84           HG2      GLU  84  -6.243 -11.989   4.553
  648    HG3  GLU  84           HG3      GLU  84  -4.871 -11.627   5.611
  649    H    LEU  85           H        LEU  85  -4.311  -9.593   1.002
  650    HA   LEU  85           HA       LEU  85  -4.590  -6.639   0.735
  651    HB2  LEU  85           HB2      LEU  85  -1.870  -7.910   1.110
  652    HB3  LEU  85           HB3      LEU  85  -2.260  -6.205   0.900
  653    HG   LEU  85           HG       LEU  85  -3.743  -6.708   3.109
  654   HD11  LEU  85          HD11      LEU  85  -2.521  -8.210   4.588
  655   HD12  LEU  85          HD12      LEU  85  -3.018  -9.072   3.114
  656   HD13  LEU  85          HD13      LEU  85  -1.332  -8.539   3.295
  657   HD21  LEU  85          HD21      LEU  85  -1.802  -5.780   4.379
  658   HD22  LEU  85          HD22      LEU  85  -0.776  -6.071   2.953
  659   HD23  LEU  85          HD23      LEU  85  -2.138  -4.923   2.860
  660    H    ARG  86           H        ARG  86  -3.969  -5.804  -1.210
  661    HA   ARG  86           HA       ARG  86  -2.307  -7.337  -3.073
  662    HB2  ARG  86           HB2      ARG  86  -5.141  -6.409  -3.658
  663    HB3  ARG  86           HB3      ARG  86  -3.932  -6.506  -4.940
  664    HG2  ARG  86           HG2      ARG  86  -4.703  -8.839  -3.148
  665    HG3  ARG  86           HG3      ARG  86  -5.373  -8.545  -4.753
  666    HD2  ARG  86           HD2      ARG  86  -2.396  -8.936  -4.204
  667    HD3  ARG  86           HD3      ARG  86  -3.501 -10.203  -4.729
  668    HE   ARG  86           HE       ARG  86  -3.906  -8.969  -6.795
  669   HH11  ARG  86          HH11      ARG  86  -1.016  -8.000  -4.955
  670   HH12  ARG  86          HH12      ARG  86  -0.259  -7.283  -6.349
  671   HH21  ARG  86          HH21      ARG  86  -2.863  -8.034  -8.563
  672   HH22  ARG  86          HH22      ARG  86  -1.284  -7.313  -8.379
  673    H    VAL  87           H        VAL  87  -0.713  -5.943  -3.646
  674    HA   VAL  87           HA       VAL  87  -1.328  -3.025  -3.760
  675    HB   VAL  87           HB       VAL  87   1.130  -4.266  -2.495
  676   HG11  VAL  87          HG11      VAL  87   0.084  -1.412  -2.443
  677   HG12  VAL  87          HG12      VAL  87   1.524  -2.013  -1.596
  678   HG13  VAL  87          HG13      VAL  87   1.484  -2.013  -3.368
  679   HG21  VAL  87          HG21      VAL  87   0.229  -3.562  -0.308
  680   HG22  VAL  87          HG22      VAL  87  -1.322  -3.159  -1.090
  681   HG23  VAL  87          HG23      VAL  87  -0.730  -4.843  -1.057
  682    H    GLN  88           H        GLN  88  -0.309  -1.955  -5.381
  683    HA   GLN  88           HA       GLN  88   2.102  -2.778  -6.707
  684    HB2  GLN  88           HB2      GLN  88  -0.518  -3.740  -7.735
  685    HB3  GLN  88           HB3      GLN  88   0.384  -2.795  -8.919
  686    HG2  GLN  88           HG2      GLN  88   1.439  -5.254  -7.464
  687    HG3  GLN  88           HG3      GLN  88   0.871  -5.204  -9.129
  688   HE21  GLN  88          HE22      GLN  88   3.478  -6.071  -8.364
  689   HE22  GLN  88          HE21      GLN  88   4.638  -4.936  -9.034
  690    H    MET  89           H        MET  89   2.325  -1.413  -8.773
  691    HA   MET  89           HA       MET  89   1.906   1.360  -8.080
  692    HB2  MET  89           HB2      MET  89   2.977  -0.125 -10.514
  693    HB3  MET  89           HB3      MET  89   3.055   1.642 -10.313
  694    HG2  MET  89           HG2      MET  89   4.054  -0.170  -8.114
  695    HG3  MET  89           HG3      MET  89   5.067   0.090  -9.512
  696    HE1  MET  89           HE1      MET  89   6.834   0.891  -7.660
  697    HE2  MET  89           HE2      MET  89   6.577   2.276  -6.563
  698    HE3  MET  89           HE3      MET  89   5.618   0.793  -6.356
  699    H    ALA  90           H        ALA  90   0.496   2.841  -9.025
  700    HA   ALA  90           HA       ALA  90  -1.944   1.811 -10.204
  701    HB1  ALA  90           HB1      ALA  90  -0.939   4.665  -9.880
  702    HB2  ALA  90           HB2      ALA  90  -2.605   4.169 -10.254
  703    HB3  ALA  90           HB3      ALA  90  -1.887   3.751  -8.683
  704    H    ARG  91           H        ARG  91  -2.780   2.345 -12.271
  705    HA   ARG  91           HA       ARG  91  -0.949   3.523 -14.275
  706    HB2  ARG  91           HB2      ARG  91  -2.416   0.871 -14.639
  707    HB3  ARG  91           HB3      ARG  91  -1.585   1.756 -15.924
  708    HG2  ARG  91           HG2      ARG  91   0.556   1.570 -14.722
  709    HG3  ARG  91           HG3      ARG  91  -0.248   0.654 -13.419
  710    HD2  ARG  91           HD2      ARG  91  -0.926  -1.069 -15.063
  711    HD3  ARG  91           HD3      ARG  91  -0.100  -0.165 -16.352
  712    HE   ARG  91           HE       ARG  91   1.766  -0.636 -14.268
  713   HH11  ARG  91          HH11      ARG  91  -0.076  -2.445 -16.673
  714   HH12  ARG  91          HH12      ARG  91   1.106  -3.734 -16.794
  715   HH21  ARG  91          HH21      ARG  91   3.293  -2.313 -14.439
  716   HH22  ARG  91          HH22      ARG  91   3.007  -3.663 -15.510
  717    H    TYR  92           H        TYR  92  -3.593   3.983 -12.652
  718    HA   TYR  92           HA       TYR  92  -5.133   5.044 -14.965
  719    HB2  TYR  92           HB2      TYR  92  -6.238   3.754 -12.456
  720    HB3  TYR  92           HB3      TYR  92  -7.195   4.542 -13.714
  721    HD1  TYR  92           HD1      TYR  92  -5.925   3.476 -16.201
  722    HD2  TYR  92           HD2      TYR  92  -6.936   1.527 -12.501
  723    HE1  TYR  92           HE1      TYR  92  -6.109   1.313 -17.389
  724    HE2  TYR  92           HE2      TYR  92  -7.128  -0.630 -13.678
  725    HH   TYR  92           HH       TYR  92  -6.568  -0.926 -17.208
  726    H    GLY  93           H        GLY  93  -6.451   6.944 -14.382
  727    HA2  GLY  93           HA2      GLY  93  -5.093   8.532 -12.251
  728    HA3  GLY  93           HA3      GLY  93  -5.802   9.192 -13.740
  729    H    ARG  94           H        ARG  94  -6.657  10.495 -11.607
  730    HA   ARG  94           HA       ARG  94  -8.751   9.295 -10.127
  731    HB2  ARG  94           HB2      ARG  94  -9.280  11.454  -9.346
  732    HB3  ARG  94           HB3      ARG  94  -7.535  11.477  -9.613
  733    HG2  ARG  94           HG2      ARG  94  -7.885  12.624 -11.793
  734    HG3  ARG  94           HG3      ARG  94  -9.640  12.568 -11.545
  735    HD2  ARG  94           HD2      ARG  94  -7.574  14.094  -9.936
  736    HD3  ARG  94           HD3      ARG  94  -8.896  14.769 -10.897
  737    HE   ARG  94           HE       ARG  94  -9.007  14.038  -8.169
  738   HH11  ARG  94          HH11      ARG  94 -11.019  13.688 -11.081
  739   HH12  ARG  94          HH12      ARG  94 -12.488  13.514 -10.148
  740   HH21  ARG  94          HH21      ARG  94 -10.956  13.837  -7.031
  741   HH22  ARG  94          HH22      ARG  94 -12.448  13.576  -7.917
  742    HA   PRO  95           HA       PRO  95 -12.161   8.763 -12.667
  743    HB2  PRO  95           HB2      PRO  95 -13.775  10.536 -10.837
  744    HB3  PRO  95           HB3      PRO  95 -14.159   8.900 -11.469
  745    HG2  PRO  95           HG2      PRO  95 -13.238   9.153  -8.942
  746    HG3  PRO  95           HG3      PRO  95 -12.557   7.894 -10.020
  747    HD2  PRO  95           HD2      PRO  95 -11.389  10.612  -9.388
  748    HD3  PRO  95           HD3      PRO  95 -10.578   9.012  -9.403
  749    HA   PRO  96           HA       PRO  96 -12.556  12.642 -15.051
  750    HB2  PRO  96           HB2      PRO  96 -13.264  11.499 -17.424
  751    HB3  PRO  96           HB3      PRO  96 -11.560  11.514 -16.845
  752    HG2  PRO  96           HG2      PRO  96 -13.584   9.272 -16.690
  753    HG3  PRO  96           HG3      PRO  96 -11.858   9.179 -17.159
  754    HD2  PRO  96           HD2      PRO  96 -12.775   8.578 -14.628
  755    HD3  PRO  96           HD3      PRO  96 -11.145   9.249 -14.934
  756    H    ASP  97           H        ASP  97 -14.663   9.768 -15.290
  757    HA   ASP  97           HA       ASP  97 -17.005  11.128 -14.246
  758    HB2  ASP  97           HB2      ASP  97 -16.888  10.138 -17.134
  759    HB3  ASP  97           HB3      ASP  97 -18.392  10.394 -16.244
  760    H    SER  98           H        SER  98 -17.924   9.575 -12.954
  761    HA   SER  98           HA       SER  98 -17.986   6.766 -13.872
  762    HB2  SER  98           HB2      SER  98 -16.726   7.652 -11.243
  763    HB3  SER  98           HB3      SER  98 -17.116   5.982 -11.658
  764    HG   SER  98           HG       SER  98 -14.932   6.518 -12.122
  765    H    HIS  99           H        HIS  99 -19.699   9.339 -12.747
  766    HA   HIS  99           HA       HIS  99 -21.571   7.590 -11.252
  767    HB2  HIS  99           HB2      HIS  99 -21.683   9.174  -9.410
  768    HB3  HIS  99           HB3      HIS  99 -20.032   8.577  -9.594
  769    HD2  HIS  99           HD2      HIS  99 -18.124  10.326 -10.340
  770    HE1  HIS  99           HE1      HIS  99 -20.519  13.834 -10.210
  771    HE2  HIS  99           HE2      HIS  99 -18.138  12.930 -10.409
  772    H    HIS 100           H        HIS 100 -20.935  10.511 -13.115
  773    HA   HIS 100           HA       HIS 100 -22.277  12.064 -14.077
  774    HB2  HIS 100           HB2      HIS 100 -24.031   9.630 -14.480
  775    HB3  HIS 100           HB3      HIS 100 -24.059  11.112 -15.442
  776    HD2  HIS 100           HD2      HIS 100 -22.062   7.880 -14.932
  777    HE1  HIS 100           HE1      HIS 100 -20.267   9.890 -18.224
  778    HE2  HIS 100           HE2      HIS 100 -20.322   7.726 -16.888
  779    H    SER 101           H        SER 101 -22.841  11.668 -11.106
  780    HA   SER 101           HA       SER 101 -25.352  13.203 -11.046
  781    HB2  SER 101           HB2      SER 101 -26.101  10.848 -10.999
  782    HB3  SER 101           HB3      SER 101 -25.046  10.528  -9.610
  783    HG   SER 101           HG       SER 101 -26.227  12.069  -8.443
  784    H5'    U 102           H5'        U 102 -10.623  -5.056 -12.819
  785   H5''    U 102          H5''        U 102 -12.295  -5.030 -12.231
  786    H4'    U 102           H4'        U 102 -10.003  -3.611 -10.803
  787    H3'    U 102           H3'        U 102 -10.041  -6.356 -11.033
  788    H2'    U 102           H2'        U 102 -12.355  -6.523 -10.435
  789   HO2'    U 102          HO2'        U 102 -10.722  -6.924  -8.133
  790    H1'    U 102           H1'        U 102 -11.643  -4.688  -8.133
  791    H3     U 102           H3         U 102 -16.669  -4.278  -9.679
  792    H5     U 102           H5         U 102 -15.470  -6.349  -6.231
  793    H6     U 102           H6         U 102 -13.155  -6.095  -6.971
  794   HO5'    U 102          HO5'        U 102 -11.860  -3.349 -13.728
  795    H5'    G 103           H5'        G 103  -7.839  -3.142  -7.333
  796   H5''    G 103          H5''        G 103  -9.552  -3.195  -7.781
  797    H4'    G 103           H4'        G 103  -8.930  -0.939  -7.109
  798    H3'    G 103           H3'        G 103 -10.290  -1.399  -9.501
  799    H2'    G 103           H2'        G 103  -8.229  -1.305 -10.748
  800   HO2'    G 103          HO2'        G 103  -9.510   1.225 -10.818
  801    H1'    G 103           H1'        G 103  -7.727   1.112  -8.975
  802    H8     G 103           H8         G 103  -5.883   2.397  -9.974
  803    H1     G 103           H1         G 103  -3.147  -2.767 -12.653
  804    H21    G 103           H21        G 103  -4.468  -4.551 -12.320
  805    H22    G 103           H22        G 103  -5.982  -4.408 -11.450
  806    H5'    G 104           H5'        G 104  -9.957   3.169  -7.855
  807   H5''    G 104          H5''        G 104 -10.590   2.423  -6.380
  808    H4'    G 104           H4'        G 104 -12.265   4.251  -6.164
  809    H3'    G 104           H3'        G 104 -11.333   4.856  -8.953
  810    H2'    G 104           H2'        G 104 -11.407   7.146  -8.527
  811   HO2'    G 104          HO2'        G 104 -12.702   8.034  -6.917
  812    H1'    G 104           H1'        G 104 -10.797   7.035  -5.778
  813    H8     G 104           H8         G 104  -9.115   8.822  -6.240
  814    H1     G 104           H1         G 104  -6.164   5.353 -10.772
  815    H21    G 104           H21        G 104  -7.427   3.521 -11.232
  816    H22    G 104           H22        G 104  -8.914   3.220 -10.345
  817    H5'    A 105           H5'        A 105 -15.048   6.957  -7.609
  818   H5''    A 105          H5''        A 105 -16.308   6.364  -8.710
  819    H4'    A 105           H4'        A 105 -15.398   8.839  -9.771
  820    H3'    A 105           H3'        A 105 -14.850   9.165  -7.148
  821    H2'    A 105           H2'        A 105 -16.933   9.047  -6.011
  822   HO2'    A 105          HO2'        A 105 -17.436  11.193  -7.732
  823    H1'    A 105           H1'        A 105 -18.944   8.936  -7.944
  824    H8     A 105           H8         A 105 -16.465   7.206  -5.826
  825    H61    A 105           H61        A 105 -19.758   1.984  -6.521
  826    H62    A 105           H62        A 105 -18.470   2.748  -5.611
  827    H2     A 105           H2         A 105 -21.307   5.023  -9.370
  828    H5'    G 106           H5'        G 106 -15.950  10.604  -5.007
  829   H5''    G 106          H5''        G 106 -16.609  12.201  -5.413
  830    H4'    G 106           H4'        G 106 -15.942  12.103  -3.066
  831    H3'    G 106           H3'        G 106 -15.451  14.134  -4.847
  832    H2'    G 106           H2'        G 106 -13.305  13.480  -5.483
  833   HO2'    G 106          HO2'        G 106 -13.168  15.600  -4.505
  834    H1'    G 106           H1'        G 106 -12.583  12.827  -2.624
  835    H8     G 106           H8         G 106 -12.635  11.293  -6.206
  836    H1     G 106           H1         G 106  -6.968  11.270  -3.182
  837    H21    G 106           H21        G 106  -7.199  12.250  -1.178
  838    H22    G 106           H22        G 106  -8.728  12.911  -0.653
  839    H5'    U 107           H5'        U 107 -16.608  17.739  -0.499
  840   H5''    U 107          H5''        U 107 -17.660  17.096  -1.759
  841    H4'    U 107           H4'        U 107 -14.695  17.694  -2.253
  842    H3'    U 107           H3'        U 107 -16.301  19.693  -1.414
  843   HO3'    U 107          HO3'        U 107 -15.393  21.045  -3.031
  844    H2'    U 107           H2'        U 107 -18.131  18.860  -2.658
  845   HO2'    U 107          HO2'        U 107 -18.534  20.510  -4.246
  846    H1'    U 107           H1'        U 107 -16.336  18.918  -5.099
  847    H3     U 107           H3         U 107 -19.059  16.980  -8.095
  848    H5     U 107           H5         U 107 -20.966  16.167  -4.437
  849    H6     U 107           H6         U 107 -19.102  17.212  -3.299
  Start of MODEL   14
    1    H    MET   1           H1       MET   1 -17.368  14.412  10.341
    2    HA   MET   1           HA       MET   1 -15.663  15.181   8.884
    3    HB2  MET   1           HB2      MET   1 -14.663  13.170  10.935
    4    HB3  MET   1           HB3      MET   1 -13.683  14.429  10.165
    5    HG2  MET   1           HG2      MET   1 -16.126  14.893  11.918
    6    HG3  MET   1           HG3      MET   1 -14.449  15.149  12.382
    7    HE1  MET   1           HE1      MET   1 -15.904  18.776  12.251
    8    HE2  MET   1           HE2      MET   1 -16.767  17.289  12.736
    9    HE3  MET   1           HE3      MET   1 -15.075  17.558  13.239
   10    H    SER   2           H        SER   2 -14.572  14.826   7.046
   11    HA   SER   2           HA       SER   2 -13.699  12.097   6.308
   12    HB2  SER   2           HB2      SER   2 -15.548  13.807   4.600
   13    HB3  SER   2           HB3      SER   2 -14.796  12.278   4.099
   14    HG   SER   2           HG       SER   2 -16.924  11.985   4.872
   15    H    TYR   3           H        TYR   3 -12.490  12.208   4.152
   16    HA   TYR   3           HA       TYR   3 -10.308  13.989   4.439
   17    HB2  TYR   3           HB2      TYR   3 -11.272  12.304   2.100
   18    HB3  TYR   3           HB3      TYR   3  -9.710  13.103   2.158
   19    HD1  TYR   3           HD1      TYR   3 -11.793  10.375   3.516
   20    HD2  TYR   3           HD2      TYR   3  -7.917  12.252   3.634
   21    HE1  TYR   3           HE1      TYR   3 -10.885   8.421   4.749
   22    HE2  TYR   3           HE2      TYR   3  -7.006  10.290   4.848
   23    HH   TYR   3           HH       TYR   3  -9.054   7.481   5.718
   24    H    GLY   4           H        GLY   4 -12.823  13.873   1.880
   25    HA2  GLY   4           HA2      GLY   4 -13.802  15.493   0.585
   26    HA3  GLY   4           HA3      GLY   4 -13.142  16.711   1.675
   27    H    ARG   5           H        ARG   5 -10.645  16.939   1.488
   28    HA   ARG   5           HA       ARG   5  -9.585  16.661  -1.176
   29    HB2  ARG   5           HB2      ARG   5  -9.638  19.303  -1.501
   30    HB3  ARG   5           HB3      ARG   5 -10.879  18.211  -2.100
   31    HG2  ARG   5           HG2      ARG   5 -11.911  20.138  -1.075
   32    HG3  ARG   5           HG3      ARG   5 -12.320  18.667  -0.197
   33    HD2  ARG   5           HD2      ARG   5 -11.890  20.416   1.402
   34    HD3  ARG   5           HD3      ARG   5 -10.570  19.241   1.507
   35    HE   ARG   5           HE       ARG   5  -9.082  20.817   0.634
   36   HH11  ARG   5          HH11      ARG   5 -12.404  22.017   0.452
   37   HH12  ARG   5          HH12      ARG   5 -11.920  23.665   0.132
   38   HH21  ARG   5          HH21      ARG   5  -8.476  22.970   0.192
   39   HH22  ARG   5          HH22      ARG   5  -9.700  24.203  -0.042
   40    HA   PRO   6           HA       PRO   6  -6.529  17.916   2.156
   41    HB2  PRO   6           HB2      PRO   6  -5.109  15.582   2.313
   42    HB3  PRO   6           HB3      PRO   6  -6.621  15.852   3.253
   43    HG2  PRO   6           HG2      PRO   6  -6.311  14.411   0.604
   44    HG3  PRO   6           HG3      PRO   6  -7.163  13.844   2.080
   45    HD2  PRO   6           HD2      PRO   6  -8.492  15.034   0.015
   46    HD3  PRO   6           HD3      PRO   6  -8.961  15.337   1.713
   47    HA   PRO   7           HA       PRO   7  -3.722  18.723  -1.187
   48    HB2  PRO   7           HB2      PRO   7  -1.450  19.438   0.134
   49    HB3  PRO   7           HB3      PRO   7  -2.947  20.431   0.181
   50    HG2  PRO   7           HG2      PRO   7  -1.968  18.415   2.226
   51    HG3  PRO   7           HG3      PRO   7  -2.560  20.083   2.513
   52    HD2  PRO   7           HD2      PRO   7  -4.160  17.889   2.798
   53    HD3  PRO   7           HD3      PRO   7  -4.794  19.443   2.172
   54    HA   PRO   8           HA       PRO   8  -1.528  14.742  -1.373
   55    HB2  PRO   8           HB2      PRO   8  -1.791  14.263  -3.982
   56    HB3  PRO   8           HB3      PRO   8  -3.262  14.328  -2.961
   57    HG2  PRO   8           HG2      PRO   8  -2.094  16.586  -4.640
   58    HG3  PRO   8           HG3      PRO   8  -3.779  15.961  -4.658
   59    HD2  PRO   8           HD2      PRO   8  -2.983  18.116  -3.122
   60    HD3  PRO   8           HD3      PRO   8  -4.287  16.990  -2.627
   61    H    ASP   9           H        ASP   9   0.085  14.179  -3.559
   62    HA   ASP   9           HA       ASP   9   1.958  16.451  -3.866
   63    HB2  ASP   9           HB2      ASP   9   2.661  14.988  -1.951
   64    HB3  ASP   9           HB3      ASP   9   2.772  13.628  -3.079
   65    H    VAL  10           H        VAL  10  -0.035  15.403  -5.639
   66    HA   VAL  10           HA       VAL  10   0.877  13.418  -7.428
   67    HB   VAL  10           HB       VAL  10  -0.885  14.220  -8.922
   68   HG11  VAL  10          HG11      VAL  10  -1.721  14.198  -6.005
   69   HG12  VAL  10          HG12      VAL  10  -2.780  13.899  -7.394
   70   HG13  VAL  10          HG13      VAL  10  -1.470  12.758  -7.032
   71   HG21  VAL  10          HG21      VAL  10  -1.210  16.484  -6.894
   72   HG22  VAL  10          HG22      VAL  10  -0.615  16.674  -8.557
   73   HG23  VAL  10          HG23      VAL  10  -2.287  16.145  -8.266
   74    H    GLU  11           H        GLU  11   2.369  16.367  -7.015
   75    HA   GLU  11           HA       GLU  11   2.705  17.266  -9.711
   76    HB2  GLU  11           HB2      GLU  11   4.476  17.664  -7.264
   77    HB3  GLU  11           HB3      GLU  11   4.535  18.619  -8.765
   78    HG2  GLU  11           HG2      GLU  11   2.153  19.280  -8.383
   79    HG3  GLU  11           HG3      GLU  11   2.185  18.392  -6.847
   80    H    GLY  12           H        GLY  12   3.999  14.509  -8.118
   81    HA2  GLY  12           HA2      GLY  12   5.424  13.640 -10.418
   82    HA3  GLY  12           HA3      GLY  12   6.586  14.325  -9.273
   83    H    MET  13           H        MET  13   3.697  12.787  -7.982
   84    HA   MET  13           HA       MET  13   5.183  11.066  -6.313
   85    HB2  MET  13           HB2      MET  13   3.000  10.035  -5.819
   86    HB3  MET  13           HB3      MET  13   2.913  11.814  -5.802
   87    HG2  MET  13           HG2      MET  13   1.822  11.828  -7.950
   88    HG3  MET  13           HG3      MET  13   2.166  10.131  -8.224
   89    HE1  MET  13           HE1      MET  13   0.402  12.479  -5.562
   90    HE2  MET  13           HE2      MET  13  -0.645  11.298  -4.738
   91    HE3  MET  13           HE3      MET  13   1.116  11.145  -4.603
   92    H    THR  14           H        THR  14   5.318   8.806  -6.186
   93    HA   THR  14           HA       THR  14   5.685   7.322  -8.642
   94    HB   THR  14           HB       THR  14   5.783   6.743  -5.667
   95   HG21  THR  14          HG21      THR  14   5.982   4.667  -7.887
   96   HG22  THR  14          HG22      THR  14   6.473   4.428  -6.192
   97   HG23  THR  14          HG23      THR  14   4.771   4.696  -6.581
   98    H    SER  15           H        SER  15   2.971   8.055  -6.618
   99    HA   SER  15           HA       SER  15   0.887   7.299  -6.437
  100    HB2  SER  15           HB2      SER  15   0.927   8.482  -8.649
  101    HB3  SER  15           HB3      SER  15   1.121   6.901  -9.442
  102    HG   SER  15           HG       SER  15  -0.849   6.285  -8.514
  103    H    LEU  16           H        LEU  16   2.175   5.316  -5.394
  104    HA   LEU  16           HA       LEU  16   1.643   2.756  -6.626
  105    HB2  LEU  16           HB2      LEU  16   3.076   3.249  -4.539
  106    HB3  LEU  16           HB3      LEU  16   1.548   3.419  -3.662
  107    HG   LEU  16           HG       LEU  16   0.960   1.047  -4.350
  108   HD11  LEU  16          HD11      LEU  16   2.577   0.858  -6.250
  109   HD12  LEU  16          HD12      LEU  16   3.917   0.950  -5.085
  110   HD13  LEU  16          HD13      LEU  16   2.790  -0.418  -5.031
  111   HD21  LEU  16          HD21      LEU  16   2.493   0.060  -2.665
  112   HD22  LEU  16          HD22      LEU  16   3.447   1.555  -2.694
  113   HD23  LEU  16          HD23      LEU  16   1.765   1.585  -2.114
  114    H    LYS  17           H        LYS  17  -0.171   1.274  -5.884
  115    HA   LYS  17           HA       LYS  17  -2.475   2.694  -4.660
  116    HB2  LYS  17           HB2      LYS  17  -4.054   1.642  -6.088
  117    HB3  LYS  17           HB3      LYS  17  -2.916   2.533  -7.098
  118    HG2  LYS  17           HG2      LYS  17  -1.986   0.575  -7.993
  119    HG3  LYS  17           HG3      LYS  17  -2.359  -0.386  -6.546
  120    HD2  LYS  17           HD2      LYS  17  -4.795  -0.161  -7.091
  121    HD3  LYS  17           HD3      LYS  17  -4.327   0.539  -8.658
  122    HE2  LYS  17           HE2      LYS  17  -3.292  -1.494  -9.353
  123    HE3  LYS  17           HE3      LYS  17  -3.126  -2.065  -7.681
  124    HZ1  LYS  17           HZ1      LYS  17  -5.684  -1.842  -9.123
  125    HZ2  LYS  17           HZ2      LYS  17  -4.864  -3.236  -8.801
  126    HZ3  LYS  17           HZ3      LYS  17  -5.485  -2.334  -7.577
  127    H    VAL  18           H        VAL  18  -3.900   1.356  -3.444
  128    HA   VAL  18           HA       VAL  18  -2.958  -1.446  -2.995
  129    HB   VAL  18           HB       VAL  18  -3.797   0.479  -0.794
  130   HG11  VAL  18          HG11      VAL  18  -2.925  -2.430  -0.761
  131   HG12  VAL  18          HG12      VAL  18  -3.028  -1.397   0.685
  132   HG13  VAL  18          HG13      VAL  18  -4.493  -1.755  -0.244
  133   HG21  VAL  18          HG21      VAL  18  -1.467   0.919  -1.653
  134   HG22  VAL  18          HG22      VAL  18  -1.484   0.294   0.013
  135   HG23  VAL  18          HG23      VAL  18  -1.070  -0.779  -1.341
  136    H    ASP  19           H        ASP  19  -4.515  -2.882  -2.439
  137    HA   ASP  19           HA       ASP  19  -7.370  -2.150  -2.315
  138    HB2  ASP  19           HB2      ASP  19  -6.181  -4.015  -4.411
  139    HB3  ASP  19           HB3      ASP  19  -7.906  -3.737  -4.128
  140    H    ASN  20           H        ASN  20  -8.451  -4.618  -2.503
  141    HA   ASN  20           HA       ASN  20  -8.923  -6.484  -1.334
  142    HB2  ASN  20           HB2      ASN  20  -5.953  -6.607  -1.545
  143    HB3  ASN  20           HB3      ASN  20  -6.679  -7.631  -0.320
  144   HD21  ASN  20          HD22      ASN  20  -6.284  -9.553  -1.227
  145   HD22  ASN  20          HD21      ASN  20  -7.018 -10.097  -2.720
  146    H    LEU  21           H        LEU  21 -10.122  -5.440   0.183
  147    HA   LEU  21           HA       LEU  21  -8.871  -5.083   2.884
  148    HB2  LEU  21           HB2      LEU  21 -11.307  -3.916   1.496
  149    HB3  LEU  21           HB3      LEU  21 -11.168  -3.910   3.245
  150    HG   LEU  21           HG       LEU  21 -10.457  -1.819   1.833
  151   HD11  LEU  21          HD11      LEU  21  -8.784  -2.891   4.125
  152   HD12  LEU  21          HD12      LEU  21  -8.950  -1.185   3.643
  153   HD13  LEU  21          HD13      LEU  21 -10.353  -2.061   4.283
  154   HD21  LEU  21          HD21      LEU  21  -8.720  -2.982   0.429
  155   HD22  LEU  21          HD22      LEU  21  -8.053  -1.676   1.417
  156   HD23  LEU  21          HD23      LEU  21  -7.824  -3.356   1.925
  157    H    THR  22           H        THR  22  -9.294  -6.727   4.260
  158    HA   THR  22           HA       THR  22 -11.122  -8.840   3.610
  159    HB   THR  22           HB       THR  22  -9.964  -8.231   6.347
  160   HG21  THR  22          HG21      THR  22 -11.412 -10.199   6.260
  161   HG22  THR  22          HG22      THR  22 -10.567 -10.796   4.815
  162   HG23  THR  22          HG23      THR  22  -9.719 -10.723   6.378
  163    H    TYR  23           H        TYR  23 -12.874  -9.526   5.178
  164    HA   TYR  23           HA       TYR  23 -14.946  -7.608   5.226
  165    HB2  TYR  23           HB2      TYR  23 -16.199  -9.343   6.384
  166    HB3  TYR  23           HB3      TYR  23 -15.240 -10.052   5.083
  167    HD1  TYR  23           HD2      TYR  23 -15.630  -9.736   8.743
  168    HD2  TYR  23           HD1      TYR  23 -13.368 -11.534   5.556
  169    HE1  TYR  23           HE2      TYR  23 -14.577 -11.293  10.370
  170    HE2  TYR  23           HE1      TYR  23 -12.313 -13.092   7.178
  171    HH   TYR  23           HH       TYR  23 -12.162 -13.740   9.379
  172    H    ARG  24           H        ARG  24 -12.308  -7.538   7.255
  173    HA   ARG  24           HA       ARG  24 -13.845  -6.336   9.506
  174    HB2  ARG  24           HB2      ARG  24 -12.014  -7.343  10.947
  175    HB3  ARG  24           HB3      ARG  24 -13.126  -8.521  10.218
  176    HG2  ARG  24           HG2      ARG  24 -11.538  -9.050   8.453
  177    HG3  ARG  24           HG3      ARG  24 -10.480  -7.710   8.936
  178    HD2  ARG  24           HD2      ARG  24  -9.588  -9.810   9.684
  179    HD3  ARG  24           HD3      ARG  24 -10.036  -8.789  11.072
  180    HE   ARG  24           HE       ARG  24 -11.531 -11.196  10.080
  181   HH11  ARG  24          HH11      ARG  24 -10.853  -8.886  12.683
  182   HH12  ARG  24          HH12      ARG  24 -11.765  -9.794  13.867
  183   HH21  ARG  24          HH21      ARG  24 -12.705 -12.333  11.639
  184   HH22  ARG  24          HH22      ARG  24 -12.823 -11.730  13.275
  185    H    THR  25           H        THR  25 -12.439  -5.199   7.048
  186    HA   THR  25           HA       THR  25 -10.426  -3.535   8.505
  187    HB   THR  25           HB       THR  25 -10.226  -4.165   5.553
  188   HG21  THR  25          HG21      THR  25  -8.209  -3.463   7.743
  189   HG22  THR  25          HG22      THR  25  -7.806  -3.811   6.049
  190   HG23  THR  25          HG23      THR  25  -8.765  -2.374   6.447
  191    H    SER  26           H        SER  26 -10.011  -1.414   7.389
  192    HA   SER  26           HA       SER  26 -12.328  -0.238   5.991
  193    HB2  SER  26           HB2      SER  26 -12.640   1.439   7.780
  194    HB3  SER  26           HB3      SER  26 -12.842  -0.187   8.446
  195    HG   SER  26           HG       SER  26 -11.477   1.135   9.729
  196    HA   PRO  27           HA       PRO  27  -9.123   2.268   4.278
  197    HB2  PRO  27           HB2      PRO  27 -10.120   4.818   4.192
  198    HB3  PRO  27           HB3      PRO  27 -10.621   3.492   3.100
  199    HG2  PRO  27           HG2      PRO  27 -12.015   4.493   5.596
  200    HG3  PRO  27           HG3      PRO  27 -12.740   4.053   4.011
  201    HD2  PRO  27           HD2      PRO  27 -12.759   2.364   6.145
  202    HD3  PRO  27           HD3      PRO  27 -12.589   1.761   4.485
  203    H    ASP  28           H        ASP  28 -10.524   3.408   7.374
  204    HA   ASP  28           HA       ASP  28  -8.318   5.136   8.040
  205    HB2  ASP  28           HB2      ASP  28 -10.587   5.130   9.152
  206    HB3  ASP  28           HB3      ASP  28 -10.128   3.593   9.932
  207    H    THR  29           H        THR  29  -8.914   1.632   8.374
  208    HA   THR  29           HA       THR  29  -6.562   1.196  10.019
  209    HB   THR  29           HB       THR  29  -8.169  -0.728   8.283
  210   HG21  THR  29          HG21      THR  29  -6.047  -1.136  10.444
  211   HG22  THR  29          HG22      THR  29  -7.074  -2.436   9.782
  212   HG23  THR  29          HG23      THR  29  -5.926  -1.586   8.733
  213    H    LEU  30           H        LEU  30  -7.373   0.925   6.515
  214    HA   LEU  30           HA       LEU  30  -4.851  -0.052   5.683
  215    HB2  LEU  30           HB2      LEU  30  -7.307   0.897   4.551
  216    HB3  LEU  30           HB3      LEU  30  -5.980   1.720   3.712
  217    HG   LEU  30           HG       LEU  30  -6.768  -0.417   2.652
  218   HD11  LEU  30          HD11      LEU  30  -3.894  -0.310   3.616
  219   HD12  LEU  30          HD12      LEU  30  -4.483  -1.348   2.299
  220   HD13  LEU  30          HD13      LEU  30  -4.553   0.424   2.134
  221   HD21  LEU  30          HD21      LEU  30  -7.100  -1.630   4.878
  222   HD22  LEU  30          HD22      LEU  30  -6.258  -2.546   3.601
  223   HD23  LEU  30          HD23      LEU  30  -5.338  -1.830   4.939
  224    H    ARG  31           H        ARG  31  -5.752   3.093   6.852
  225    HA   ARG  31           HA       ARG  31  -3.482   4.462   5.606
  226    HB2  ARG  31           HB2      ARG  31  -5.540   5.701   6.124
  227    HB3  ARG  31           HB3      ARG  31  -5.436   5.206   7.815
  228    HG2  ARG  31           HG2      ARG  31  -4.671   7.550   7.460
  229    HG3  ARG  31           HG3      ARG  31  -3.439   6.517   8.183
  230    HD2  ARG  31           HD2      ARG  31  -2.361   6.242   5.960
  231    HD3  ARG  31           HD3      ARG  31  -3.581   7.308   5.243
  232    HE   ARG  31           HE       ARG  31  -1.580   8.124   7.322
  233   HH11  ARG  31          HH11      ARG  31  -3.655   8.982   4.581
  234   HH12  ARG  31          HH12      ARG  31  -3.036  10.616   4.506
  235   HH21  ARG  31          HH21      ARG  31  -0.833  10.180   7.204
  236   HH22  ARG  31          HH22      ARG  31  -1.441  11.316   6.014
  237    H    ARG  32           H        ARG  32  -4.401   3.562   8.987
  238    HA   ARG  32           HA       ARG  32  -1.836   4.271  10.031
  239    HB2  ARG  32           HB2      ARG  32  -2.718   3.461  12.128
  240    HB3  ARG  32           HB3      ARG  32  -4.033   4.241  11.223
  241    HG2  ARG  32           HG2      ARG  32  -5.114   2.386  11.989
  242    HG3  ARG  32           HG3      ARG  32  -4.588   1.841  10.394
  243    HD2  ARG  32           HD2      ARG  32  -4.171   0.070  11.934
  244    HD3  ARG  32           HD3      ARG  32  -2.589   0.739  11.550
  245    HE   ARG  32           HE       ARG  32  -4.130   1.149  14.078
  246   HH11  ARG  32          HH11      ARG  32  -1.044   1.411  12.334
  247   HH12  ARG  32          HH12      ARG  32  -0.129   1.688  13.792
  248   HH21  ARG  32          HH21      ARG  32  -2.900   1.525  15.935
  249   HH22  ARG  32          HH22      ARG  32  -1.175   1.784  15.817
  250    H    VAL  33           H        VAL  33  -2.727   1.632   8.150
  251    HA   VAL  33           HA       VAL  33  -0.676  -0.169   9.334
  252    HB   VAL  33           HB       VAL  33  -2.870  -0.538   7.264
  253   HG11  VAL  33          HG11      VAL  33  -0.990  -1.930   6.606
  254   HG12  VAL  33          HG12      VAL  33  -0.821  -2.554   8.266
  255   HG13  VAL  33          HG13      VAL  33  -2.272  -2.943   7.301
  256   HG21  VAL  33          HG21      VAL  33  -3.819  -2.040   8.951
  257   HG22  VAL  33          HG22      VAL  33  -2.422  -1.761  10.021
  258   HG23  VAL  33          HG23      VAL  33  -3.554  -0.435   9.665
  259    H    PHE  34           H        PHE  34  -1.370   1.754   6.393
  260    HA   PHE  34           HA       PHE  34   1.184   0.767   5.220
  261    HB2  PHE  34           HB2      PHE  34  -1.322   2.024   4.150
  262    HB3  PHE  34           HB3      PHE  34   0.155   2.221   3.255
  263    HD1  PHE  34           HD2      PHE  34  -2.075  -0.373   4.742
  264    HD2  PHE  34           HD1      PHE  34   0.988   0.477   1.849
  265    HE1  PHE  34           HE2      PHE  34  -2.377  -2.634   3.745
  266    HE2  PHE  34           HE1      PHE  34   0.690  -1.786   0.871
  267    HZ   PHE  34           HZ       PHE  34  -1.002  -3.331   1.810
  268    H    GLU  35           H        GLU  35  -0.030   3.425   7.027
  269    HA   GLU  35           HA       GLU  35   1.674   5.481   5.948
  270    HB2  GLU  35           HB2      GLU  35  -0.295   6.018   7.225
  271    HB3  GLU  35           HB3      GLU  35   0.296   5.079   8.622
  272    HG2  GLU  35           HG2      GLU  35   2.062   6.644   9.020
  273    HG3  GLU  35           HG3      GLU  35   1.719   7.512   7.502
  274    H    LYS  36           H        LYS  36   2.197   2.805   8.208
  275    HA   LYS  36           HA       LYS  36   4.452   3.952   9.547
  276    HB2  LYS  36           HB2      LYS  36   4.851   1.699  10.371
  277    HB3  LYS  36           HB3      LYS  36   3.120   2.084  10.455
  278    HG2  LYS  36           HG2      LYS  36   2.753   0.795   8.359
  279    HG3  LYS  36           HG3      LYS  36   4.480   0.396   8.301
  280    HD2  LYS  36           HD2      LYS  36   4.295  -0.711  10.520
  281    HD3  LYS  36           HD3      LYS  36   2.551  -0.332  10.548
  282    HE2  LYS  36           HE2      LYS  36   2.223  -1.644   8.488
  283    HE3  LYS  36           HE3      LYS  36   3.954  -2.005   8.426
  284    HZ1  LYS  36           HZ1      LYS  36   2.115  -2.815  10.571
  285    HZ2  LYS  36           HZ2      LYS  36   2.735  -3.799   9.404
  286    HZ3  LYS  36           HZ3      LYS  36   3.734  -3.137  10.530
  287    H    TYR  37           H        TYR  37   4.111   2.389   6.443
  288    HA   TYR  37           HA       TYR  37   6.895   1.695   6.128
  289    HB2  TYR  37           HB2      TYR  37   4.639   2.118   4.140
  290    HB3  TYR  37           HB3      TYR  37   6.251   1.547   3.704
  291    HD1  TYR  37           HD2      TYR  37   3.207   0.710   5.707
  292    HD2  TYR  37           HD1      TYR  37   6.905  -0.708   4.012
  293    HE1  TYR  37           HE2      TYR  37   2.586  -1.595   6.302
  294    HE2  TYR  37           HE1      TYR  37   6.284  -3.030   4.604
  295    HH   TYR  37           HH       TYR  37   4.733  -4.394   5.590
  296    H    GLY  38           H        GLY  38   5.081   4.691   5.841
  297    HA2  GLY  38           HA2      GLY  38   7.331   6.318   5.884
  298    HA3  GLY  38           HA3      GLY  38   7.020   6.038   4.160
  299    H    ARG  39           H        ARG  39   4.914   6.676   3.269
  300    HA   ARG  39           HA       ARG  39   3.060   8.178   4.928
  301    HB2  ARG  39           HB2      ARG  39   3.289  10.253   3.508
  302    HB3  ARG  39           HB3      ARG  39   4.575   9.975   4.694
  303    HG2  ARG  39           HG2      ARG  39   6.099   9.206   2.965
  304    HG3  ARG  39           HG3      ARG  39   4.811   9.225   1.757
  305    HD2  ARG  39           HD2      ARG  39   6.164  11.279   1.529
  306    HD3  ARG  39           HD3      ARG  39   4.552  11.693   2.113
  307    HE   ARG  39           HE       ARG  39   5.425  12.315   4.180
  308   HH11  ARG  39          HH11      ARG  39   7.957  10.823   2.186
  309   HH12  ARG  39          HH12      ARG  39   9.245  11.336   3.249
  310   HH21  ARG  39          HH21      ARG  39   7.137  12.972   5.525
  311   HH22  ARG  39          HH22      ARG  39   8.786  12.555   5.130
  312    H    VAL  40           H        VAL  40   1.278   9.112   3.631
  313    HA   VAL  40           HA       VAL  40   0.719   7.526   1.172
  314    HB   VAL  40           HB       VAL  40  -1.190   7.915   3.519
  315   HG11  VAL  40          HG11      VAL  40  -2.298   7.673   1.356
  316   HG12  VAL  40          HG12      VAL  40  -1.376   6.173   1.038
  317   HG13  VAL  40          HG13      VAL  40  -2.553   6.230   2.364
  318   HG21  VAL  40          HG21      VAL  40   0.609   6.351   4.185
  319   HG22  VAL  40          HG22      VAL  40  -0.901   5.465   3.905
  320   HG23  VAL  40          HG23      VAL  40   0.389   5.434   2.680
  321    H    GLY  41           H        GLY  41  -0.700   8.606  -0.268
  322    HA2  GLY  41           HA2      GLY  41  -1.076  11.514   0.320
  323    HA3  GLY  41           HA3      GLY  41  -0.856  10.798  -1.288
  324    H    ASP  42           H        ASP  42  -2.723   8.490  -0.385
  325    HA   ASP  42           HA       ASP  42  -5.246   9.821   0.173
  326    HB2  ASP  42           HB2      ASP  42  -4.944  10.142  -2.307
  327    HB3  ASP  42           HB3      ASP  42  -4.817   8.385  -2.491
  328    H    VAL  43           H        VAL  43  -6.910   8.334   0.696
  329    HA   VAL  43           HA       VAL  43  -6.662   5.497   0.427
  330    HB   VAL  43           HB       VAL  43  -5.047   5.467   2.118
  331   HG11  VAL  43          HG11      VAL  43  -6.708   7.447   3.724
  332   HG12  VAL  43          HG12      VAL  43  -5.218   6.636   4.260
  333   HG13  VAL  43          HG13      VAL  43  -5.160   7.775   2.902
  334   HG21  VAL  43          HG21      VAL  43  -7.619   5.069   3.662
  335   HG22  VAL  43          HG22      VAL  43  -6.951   3.907   2.492
  336   HG23  VAL  43          HG23      VAL  43  -6.035   4.327   3.953
  337    H    TYR  44           H        TYR  44  -8.784   5.532  -0.308
  338    HA   TYR  44           HA       TYR  44 -10.646   5.418   1.888
  339    HB2  TYR  44           HB2      TYR  44 -12.158   7.041   1.406
  340    HB3  TYR  44           HB3      TYR  44 -10.609   7.860   1.341
  341    HD1  TYR  44           HD2      TYR  44 -10.227   6.583  -1.727
  342    HD2  TYR  44           HD1      TYR  44 -13.088   9.010   0.398
  343    HE1  TYR  44           HE2      TYR  44 -11.009   7.531  -3.849
  344    HE2  TYR  44           HE1      TYR  44 -13.806  10.040  -1.730
  345    HH   TYR  44           HH       TYR  44 -13.552  10.040  -4.032
  346    H    ILE  45           H        ILE  45 -13.015   5.147   0.849
  347    HA   ILE  45           HA       ILE  45 -12.643   2.909  -1.083
  348    HB   ILE  45           HB       ILE  45 -14.554   3.145   1.276
  349   HG12  ILE  45          HG12      ILE  45 -12.003   1.609   0.715
  350   HG13  ILE  45          HG13      ILE  45 -12.302   2.766   2.019
  351   HG21  ILE  45          HG21      ILE  45 -14.079   0.778  -0.585
  352   HG22  ILE  45          HG22      ILE  45 -15.220   0.870   0.774
  353   HG23  ILE  45          HG23      ILE  45 -15.496   1.845  -0.683
  354   HD11  ILE  45          HD11      ILE  45 -13.476  -0.032   1.733
  355   HD12  ILE  45          HD12      ILE  45 -12.273   0.531   2.911
  356   HD13  ILE  45          HD13      ILE  45 -13.950   1.139   2.996
  357    HA   PRO  46           HA       PRO  46 -15.324   5.500  -3.515
  358    HB2  PRO  46           HB2      PRO  46 -15.381   3.982  -5.787
  359    HB3  PRO  46           HB3      PRO  46 -13.909   4.830  -5.222
  360    HG2  PRO  46           HG2      PRO  46 -14.648   1.931  -4.780
  361    HG3  PRO  46           HG3      PRO  46 -13.093   2.614  -5.374
  362    HD2  PRO  46           HD2      PRO  46 -13.506   1.937  -2.754
  363    HD3  PRO  46           HD3      PRO  46 -12.472   3.315  -3.242
  364    H    ARG  47           H        ARG  47 -16.645   4.045  -1.489
  365    HA   ARG  47           HA       ARG  47 -18.696   2.302  -2.342
  366    HB2  ARG  47           HB2      ARG  47 -18.946   4.515  -0.263
  367    HB3  ARG  47           HB3      ARG  47 -19.869   3.005  -0.328
  368    HG2  ARG  47           HG2      ARG  47 -17.721   1.747   0.075
  369    HG3  ARG  47           HG3      ARG  47 -16.895   3.311   0.274
  370    HD2  ARG  47           HD2      ARG  47 -18.470   3.897   2.102
  371    HD3  ARG  47           HD3      ARG  47 -19.220   2.293   1.946
  372    HE   ARG  47           HE       ARG  47 -16.401   2.004   2.325
  373   HH11  ARG  47          HH11      ARG  47 -19.349   2.867   4.082
  374   HH12  ARG  47          HH12      ARG  47 -18.712   2.349   5.625
  375   HH21  ARG  47          HH21      ARG  47 -15.610   1.336   4.357
  376   HH22  ARG  47          HH22      ARG  47 -16.613   1.487   5.781
  377    H    ASP  48           H        ASP  48 -21.017   2.780  -2.707
  378    HA   ASP  48           HA       ASP  48 -21.493   4.776  -4.645
  379    HB2  ASP  48           HB2      ASP  48 -23.364   3.409  -2.683
  380    HB3  ASP  48           HB3      ASP  48 -23.918   4.454  -4.004
  381    H    ARG  49           H        ARG  49 -21.562   6.899  -4.508
  382    HA   ARG  49           HA       ARG  49 -20.738   8.102  -2.093
  383    HB2  ARG  49           HB2      ARG  49 -20.286   9.963  -3.404
  384    HB3  ARG  49           HB3      ARG  49 -20.126   8.573  -4.507
  385    HG2  ARG  49           HG2      ARG  49 -22.329   9.045  -5.464
  386    HG3  ARG  49           HG3      ARG  49 -22.526  10.448  -4.388
  387    HD2  ARG  49           HD2      ARG  49 -20.235  10.074  -6.358
  388    HD3  ARG  49           HD3      ARG  49 -21.679  11.055  -6.670
  389    HE   ARG  49           HE       ARG  49 -19.409  11.648  -4.896
  390   HH11  ARG  49          HH11      ARG  49 -22.681  12.554  -5.892
  391   HH12  ARG  49          HH12      ARG  49 -22.545  14.183  -5.267
  392   HH21  ARG  49          HH21      ARG  49 -19.262  13.766  -4.103
  393   HH22  ARG  49          HH22      ARG  49 -20.622  14.865  -4.256
  394    H    TYR  50           H        TYR  50 -23.642   7.063  -2.303
  395    HA   TYR  50           HA       TYR  50 -24.888   9.305  -0.819
  396    HB2  TYR  50           HB2      TYR  50 -26.996   8.863  -2.229
  397    HB3  TYR  50           HB3      TYR  50 -25.663   9.730  -3.024
  398    HD1  TYR  50           HD1      TYR  50 -24.232   8.659  -4.655
  399    HD2  TYR  50           HD2      TYR  50 -27.581   6.602  -2.932
  400    HE1  TYR  50           HE1      TYR  50 -23.901   6.834  -6.265
  401    HE2  TYR  50           HE2      TYR  50 -27.300   4.760  -4.554
  402    HH   TYR  50           HH       TYR  50 -24.709   4.806  -7.056
  403    H    THR  51           H        THR  51 -24.129   6.001  -1.004
  404    HA   THR  51           HA       THR  51 -26.166   5.522   1.106
  405    HB   THR  51           HB       THR  51 -26.344   3.203   0.542
  406   HG21  THR  51          HG21      THR  51 -26.553   4.788  -2.035
  407   HG22  THR  51          HG22      THR  51 -27.434   3.299  -1.620
  408   HG23  THR  51          HG23      THR  51 -27.778   4.804  -0.731
  409    H    LYS  52           H        LYS  52 -22.895   5.263  -0.045
  410    HA   LYS  52           HA       LYS  52 -20.936   4.765   0.862
  411    HB2  LYS  52           HB2      LYS  52 -22.143   5.858   3.425
  412    HB3  LYS  52           HB3      LYS  52 -20.453   5.917   2.902
  413    HG2  LYS  52           HG2      LYS  52 -20.929   7.968   2.126
  414    HG3  LYS  52           HG3      LYS  52 -21.770   7.148   0.791
  415    HD2  LYS  52           HD2      LYS  52 -23.884   7.227   2.078
  416    HD3  LYS  52           HD3      LYS  52 -23.051   8.028   3.420
  417    HE2  LYS  52           HE2      LYS  52 -23.277   9.131   0.584
  418    HE3  LYS  52           HE3      LYS  52 -24.293   9.621   1.948
  419    HZ1  LYS  52           HZ1      LYS  52 -21.364   9.938   1.819
  420    HZ2  LYS  52           HZ2      LYS  52 -22.473  11.134   1.611
  421    HZ3  LYS  52           HZ3      LYS  52 -22.328  10.392   3.071
  422    H    GLU  53           H        GLU  53 -22.615   2.412   0.909
  423    HA   GLU  53           HA       GLU  53 -21.683   1.167   3.457
  424    HB2  GLU  53           HB2      GLU  53 -23.594  -0.316   3.348
  425    HB3  GLU  53           HB3      GLU  53 -24.116   1.386   3.329
  426    HG2  GLU  53           HG2      GLU  53 -24.417   1.284   0.886
  427    HG3  GLU  53           HG3      GLU  53 -23.846  -0.388   0.866
  428    H    SER  54           H        SER  54 -20.853   1.216   0.246
  429    HA   SER  54           HA       SER  54 -20.528  -1.616  -0.239
  430    HB2  SER  54           HB2      SER  54 -18.861   0.594  -1.439
  431    HB3  SER  54           HB3      SER  54 -19.308  -0.949  -2.167
  432    HG   SER  54           HG       SER  54 -21.481  -0.198  -2.220
  433    H    ARG  55           H        ARG  55 -18.291  -2.527  -0.666
  434    HA   ARG  55           HA       ARG  55 -15.889  -1.551   0.311
  435    HB2  ARG  55           HB2      ARG  55 -15.547  -2.881   2.371
  436    HB3  ARG  55           HB3      ARG  55 -16.815  -1.676   2.608
  437    HG2  ARG  55           HG2      ARG  55 -18.544  -3.426   2.253
  438    HG3  ARG  55           HG3      ARG  55 -17.257  -4.631   1.999
  439    HD2  ARG  55           HD2      ARG  55 -16.359  -4.107   4.257
  440    HD3  ARG  55           HD3      ARG  55 -17.713  -2.995   4.526
  441    HE   ARG  55           HE       ARG  55 -19.044  -5.263   3.918
  442   HH11  ARG  55          HH11      ARG  55 -16.333  -4.671   6.112
  443   HH12  ARG  55          HH12      ARG  55 -16.729  -6.024   7.148
  444   HH21  ARG  55          HH21      ARG  55 -19.553  -7.005   5.317
  445   HH22  ARG  55          HH22      ARG  55 -18.554  -7.317   6.716
  446    H    GLY  56           H        GLY  56 -14.255  -3.198   0.495
  447    HA2  GLY  56           HA2      GLY  56 -14.151  -5.841   0.108
  448    HA3  GLY  56           HA3      GLY  56 -14.597  -5.304  -1.537
  449    H    PHE  57           H        PHE  57 -13.162  -2.697  -0.963
  450    HA   PHE  57           HA       PHE  57 -10.327  -3.345  -0.718
  451    HB2  PHE  57           HB2      PHE  57  -9.732  -2.585  -2.926
  452    HB3  PHE  57           HB3      PHE  57 -10.809  -3.968  -3.059
  453    HD1  PHE  57           HD1      PHE  57 -13.394  -3.375  -3.364
  454    HD2  PHE  57           HD2      PHE  57 -10.147  -0.678  -4.190
  455    HE1  PHE  57           HE1      PHE  57 -14.829  -2.128  -4.957
  456    HE2  PHE  57           HE2      PHE  57 -11.603   0.599  -5.734
  457    HZ   PHE  57           HZ       PHE  57 -13.939  -0.134  -6.131
  458    H    ALA  58           H        ALA  58  -9.067  -1.227  -1.045
  459    HA   ALA  58           HA       ALA  58 -10.666   1.234  -0.776
  460    HB1  ALA  58           HB1      ALA  58  -8.628   0.379   1.334
  461    HB2  ALA  58           HB2      ALA  58  -9.534   1.902   1.293
  462    HB3  ALA  58           HB3      ALA  58 -10.390   0.373   1.575
  463    H    PHE  59           H        PHE  59  -9.798   2.289  -2.497
  464    HA   PHE  59           HA       PHE  59  -7.087   1.761  -3.387
  465    HB2  PHE  59           HB2      PHE  59  -8.757   2.391  -5.010
  466    HB3  PHE  59           HB3      PHE  59  -9.130   3.872  -4.125
  467    HD1  PHE  59           HD2      PHE  59  -7.559   5.740  -4.049
  468    HD2  PHE  59           HD1      PHE  59  -6.821   2.333  -6.598
  469    HE1  PHE  59           HE2      PHE  59  -5.873   7.024  -5.286
  470    HE2  PHE  59           HE1      PHE  59  -5.069   3.596  -7.757
  471    HZ   PHE  59           HZ       PHE  59  -4.543   5.926  -7.098
  472    H    VAL  60           H        VAL  60  -5.380   2.361  -2.292
  473    HA   VAL  60           HA       VAL  60  -5.400   5.126  -1.142
  474    HB   VAL  60           HB       VAL  60  -4.062   4.507   0.616
  475   HG11  VAL  60          HG11      VAL  60  -5.302   1.785   0.094
  476   HG12  VAL  60          HG12      VAL  60  -4.897   2.536   1.656
  477   HG13  VAL  60          HG13      VAL  60  -6.233   3.180   0.670
  478   HG21  VAL  60          HG21      VAL  60  -2.149   3.695  -0.456
  479   HG22  VAL  60          HG22      VAL  60  -2.676   2.381   0.614
  480   HG23  VAL  60          HG23      VAL  60  -3.013   2.308  -1.144
  481    H    ARG  61           H        ARG  61  -3.086   6.135  -1.257
  482    HA   ARG  61           HA       ARG  61  -1.606   5.030  -3.532
  483    HB2  ARG  61           HB2      ARG  61  -1.917   6.770  -5.014
  484    HB3  ARG  61           HB3      ARG  61  -3.484   6.799  -4.209
  485    HG2  ARG  61           HG2      ARG  61  -2.508   8.555  -2.629
  486    HG3  ARG  61           HG3      ARG  61  -1.090   8.607  -3.694
  487    HD2  ARG  61           HD2      ARG  61  -3.968   9.225  -4.436
  488    HD3  ARG  61           HD3      ARG  61  -2.635  10.384  -4.320
  489    HE   ARG  61           HE       ARG  61  -1.570   8.976  -6.201
  490   HH11  ARG  61          HH11      ARG  61  -5.050   9.522  -5.832
  491   HH12  ARG  61          HH12      ARG  61  -5.385   9.197  -7.518
  492   HH21  ARG  61          HH21      ARG  61  -2.070   8.526  -8.399
  493   HH22  ARG  61          HH22      ARG  61  -3.727   8.673  -8.950
  494    H    PHE  62           H        PHE  62   0.560   5.626  -3.670
  495    HA   PHE  62           HA       PHE  62   1.622   7.130  -1.288
  496    HB2  PHE  62           HB2      PHE  62   2.725   4.760  -2.812
  497    HB3  PHE  62           HB3      PHE  62   3.743   5.807  -1.865
  498    HD1  PHE  62           HD2      PHE  62   0.453   4.010  -1.295
  499    HD2  PHE  62           HD1      PHE  62   4.347   5.098   0.191
  500    HE1  PHE  62           HE2      PHE  62   0.051   2.679   0.767
  501    HE2  PHE  62           HE1      PHE  62   3.966   3.719   2.207
  502    HZ   PHE  62           HZ       PHE  62   1.842   2.489   2.488
  503    H    HIS  63           H        HIS  63   3.715   8.161  -1.609
  504    HA   HIS  63           HA       HIS  63   3.940   9.265  -4.357
  505    HB2  HIS  63           HB2      HIS  63   4.865  11.272  -2.691
  506    HB3  HIS  63           HB3      HIS  63   3.332  11.214  -3.541
  507    HD2  HIS  63           HD2      HIS  63   4.136   9.348  -0.129
  508    HE1  HIS  63           HE1      HIS  63   0.981  12.118   0.495
  509    HE2  HIS  63           HE2      HIS  63   2.405  10.283   1.556
  510    H    ASP  64           H        ASP  64   5.708   8.272  -1.446
  511    HA   ASP  64           HA       ASP  64   8.269   8.910  -2.751
  512    HB2  ASP  64           HB2      ASP  64   7.327   7.782  -0.143
  513    HB3  ASP  64           HB3      ASP  64   8.998   7.438  -0.663
  514    H    LYS  65           H        LYS  65   9.437   7.574  -3.964
  515    HA   LYS  65           HA       LYS  65   8.297   5.182  -5.026
  516    HB2  LYS  65           HB2      LYS  65   9.814   6.661  -6.237
  517    HB3  LYS  65           HB3      LYS  65  11.089   6.384  -5.048
  518    HG2  LYS  65           HG2      LYS  65  11.596   5.135  -7.025
  519    HG3  LYS  65           HG3      LYS  65  11.169   3.965  -5.766
  520    HD2  LYS  65           HD2      LYS  65   8.992   5.001  -7.564
  521    HD3  LYS  65           HD3      LYS  65  10.170   3.885  -8.277
  522    HE2  LYS  65           HE2      LYS  65   8.572   3.281  -5.765
  523    HE3  LYS  65           HE3      LYS  65   8.104   2.793  -7.402
  524    HZ1  LYS  65           HZ1      LYS  65   9.296   1.042  -6.321
  525    HZ2  LYS  65           HZ2      LYS  65  10.193   1.604  -7.576
  526    HZ3  LYS  65           HZ3      LYS  65  10.598   2.000  -6.038
  527    H    ARG  66           H        ARG  66  10.882   5.735  -2.571
  528    HA   ARG  66           HA       ARG  66  11.716   3.015  -2.524
  529    HB2  ARG  66           HB2      ARG  66  12.888   3.723  -0.384
  530    HB3  ARG  66           HB3      ARG  66  13.271   4.587  -1.867
  531    HG2  ARG  66           HG2      ARG  66  13.166   6.243  -0.233
  532    HG3  ARG  66           HG3      ARG  66  11.677   6.414  -1.164
  533    HD2  ARG  66           HD2      ARG  66  11.219   6.708   1.187
  534    HD3  ARG  66           HD3      ARG  66  10.447   5.210   0.653
  535    HE   ARG  66           HE       ARG  66  13.002   4.518   1.645
  536   HH11  ARG  66          HH11      ARG  66   9.964   5.888   2.827
  537   HH12  ARG  66          HH12      ARG  66  10.207   5.329   4.463
  538   HH21  ARG  66          HH21      ARG  66  13.293   3.789   3.794
  539   HH22  ARG  66          HH22      ARG  66  12.074   4.120   5.002
  540    H    ASP  67           H        ASP  67   9.034   4.551  -0.852
  541    HA   ASP  67           HA       ASP  67   8.841   2.095   0.831
  542    HB2  ASP  67           HB2      ASP  67   7.219   3.430   2.182
  543    HB3  ASP  67           HB3      ASP  67   8.930   3.901   2.260
  544    H    ALA  68           H        ALA  68   7.569   3.516  -1.993
  545    HA   ALA  68           HA       ALA  68   4.988   2.230  -1.774
  546    HB1  ALA  68           HB1      ALA  68   6.679   3.226  -4.108
  547    HB2  ALA  68           HB2      ALA  68   5.037   2.579  -4.302
  548    HB3  ALA  68           HB3      ALA  68   5.286   4.057  -3.351
  549    H    GLU  69           H        GLU  69   8.251   1.425  -3.048
  550    HA   GLU  69           HA       GLU  69   7.386  -1.227  -3.925
  551    HB2  GLU  69           HB2      GLU  69   9.800  -1.578  -4.358
  552    HB3  GLU  69           HB3      GLU  69   9.177  -0.104  -5.128
  553    HG2  GLU  69           HG2      GLU  69  10.146   1.282  -3.368
  554    HG3  GLU  69           HG3      GLU  69  10.643  -0.143  -2.462
  555    H    ASP  70           H        ASP  70   8.882   0.129  -0.933
  556    HA   ASP  70           HA       ASP  70   9.522  -2.477   0.055
  557    HB2  ASP  70           HB2      ASP  70  10.427  -0.315   0.949
  558    HB3  ASP  70           HB3      ASP  70   8.819   0.041   1.618
  559    H    ALA  71           H        ALA  71   6.555  -0.447   0.212
  560    HA   ALA  71           HA       ALA  71   5.216  -2.139   2.089
  561    HB1  ALA  71           HB1      ALA  71   3.198  -0.925   1.335
  562    HB2  ALA  71           HB2      ALA  71   4.560   0.191   1.620
  563    HB3  ALA  71           HB3      ALA  71   4.115  -0.259  -0.042
  564    H    MET  72           H        MET  72   5.515  -2.303  -1.503
  565    HA   MET  72           HA       MET  72   3.425  -4.337  -1.596
  566    HB2  MET  72           HB2      MET  72   3.768  -4.416  -3.897
  567    HB3  MET  72           HB3      MET  72   4.195  -2.740  -3.479
  568    HG2  MET  72           HG2      MET  72   6.576  -3.335  -3.526
  569    HG3  MET  72           HG3      MET  72   6.163  -5.022  -3.890
  570    HE1  MET  72           HE1      MET  72   5.819  -1.370  -5.021
  571    HE2  MET  72           HE2      MET  72   5.337  -1.508  -6.738
  572    HE3  MET  72           HE3      MET  72   4.207  -1.982  -5.449
  573    H    ASP  73           H        ASP  73   6.949  -4.224  -1.560
  574    HA   ASP  73           HA       ASP  73   7.306  -7.080  -1.824
  575    HB2  ASP  73           HB2      ASP  73   8.956  -5.331  -2.522
  576    HB3  ASP  73           HB3      ASP  73   9.220  -4.943  -0.818
  577    H    ALA  74           H        ALA  74   6.006  -5.351   0.762
  578    HA   ALA  74           HA       ALA  74   7.147  -7.320   2.684
  579    HB1  ALA  74           HB1      ALA  74   6.456  -4.416   3.134
  580    HB2  ALA  74           HB2      ALA  74   7.064  -5.543   4.376
  581    HB3  ALA  74           HB3      ALA  74   8.110  -5.080   3.015
  582    H    MET  75           H        MET  75   4.243  -6.176   1.245
  583    HA   MET  75           HA       MET  75   2.805  -7.571   3.452
  584    HB2  MET  75           HB2      MET  75   2.706  -4.861   3.271
  585    HB3  MET  75           HB3      MET  75   1.362  -5.309   2.184
  586    HG2  MET  75           HG2      MET  75   0.601  -6.898   4.037
  587    HG3  MET  75           HG3      MET  75   1.793  -6.107   5.072
  588    HE1  MET  75           HE1      MET  75   1.612  -3.115   4.046
  589    HE2  MET  75           HE2      MET  75   0.417  -2.397   5.147
  590    HE3  MET  75           HE3      MET  75   1.648  -3.507   5.787
  591    H    ASP  76           H        ASP  76   2.838  -6.801  -0.067
  592    HA   ASP  76           HA       ASP  76   0.198  -7.831  -0.474
  593    HB2  ASP  76           HB2      ASP  76   0.971  -6.513  -2.224
  594    HB3  ASP  76           HB3      ASP  76   2.570  -7.270  -2.261
  595    H    GLY  77           H        GLY  77  -0.549  -9.777  -1.019
  596    HA2  GLY  77           HA2      GLY  77  -0.615 -12.035  -1.487
  597    HA3  GLY  77           HA3      GLY  77   1.152 -12.031  -1.677
  598    H    ALA  78           H        ALA  78   0.248 -10.657   1.332
  599    HA   ALA  78           HA       ALA  78   1.269 -13.009   2.724
  600    HB1  ALA  78           HB1      ALA  78   0.338 -10.288   3.756
  601    HB2  ALA  78           HB2      ALA  78   1.233 -11.509   4.690
  602    HB3  ALA  78           HB3      ALA  78   2.005 -10.700   3.305
  603    H    VAL  79           H        VAL  79  -1.212 -13.374   1.398
  604    HA   VAL  79           HA       VAL  79  -3.408 -13.008   3.241
  605    HB   VAL  79           HB       VAL  79  -3.317 -14.759   0.768
  606   HG11  VAL  79          HG11      VAL  79  -5.670 -13.304   1.926
  607   HG12  VAL  79          HG12      VAL  79  -5.602 -14.243   0.421
  608   HG13  VAL  79          HG13      VAL  79  -5.359 -15.067   1.972
  609   HG21  VAL  79          HG21      VAL  79  -2.464 -12.512   0.138
  610   HG22  VAL  79          HG22      VAL  79  -4.097 -12.746  -0.508
  611   HG23  VAL  79          HG23      VAL  79  -3.854 -11.747   0.941
  612    H    LEU  80           H        LEU  80  -4.845 -14.710   3.897
  613    HA   LEU  80           HA       LEU  80  -3.745 -17.385   4.305
  614    HB2  LEU  80           HB2      LEU  80  -4.021 -17.099   6.864
  615    HB3  LEU  80           HB3      LEU  80  -2.555 -16.517   6.084
  616    HG   LEU  80           HG       LEU  80  -3.296 -14.222   6.174
  617   HD11  LEU  80          HD11      LEU  80  -5.884 -15.306   7.340
  618   HD12  LEU  80          HD12      LEU  80  -5.397 -13.587   7.310
  619   HD13  LEU  80          HD13      LEU  80  -5.679 -14.443   5.791
  620   HD21  LEU  80          HD21      LEU  80  -3.826 -15.639   8.816
  621   HD22  LEU  80          HD22      LEU  80  -2.223 -15.205   8.169
  622   HD23  LEU  80          HD23      LEU  80  -3.380 -13.930   8.614
  623    H    ASP  81           H        ASP  81  -6.300 -15.641   3.460
  624    HA   ASP  81           HA       ASP  81  -8.150 -17.714   4.442
  625    HB2  ASP  81           HB2      ASP  81  -8.193 -15.796   6.060
  626    HB3  ASP  81           HB3      ASP  81  -8.741 -14.750   4.738
  627    H    GLY  82           H        GLY  82  -6.874 -16.178   1.869
  628    HA2  GLY  82           HA2      GLY  82  -7.750 -16.784  -0.323
  629    HA3  GLY  82           HA3      GLY  82  -9.383 -16.428   0.268
  630    H    ARG  83           H        ARG  83  -7.793 -13.984   1.680
  631    HA   ARG  83           HA       ARG  83  -7.148 -12.181  -0.444
  632    HB2  ARG  83           HB2      ARG  83  -9.589 -12.267  -0.867
  633    HB3  ARG  83           HB3      ARG  83  -9.898 -12.008   0.859
  634    HG2  ARG  83           HG2      ARG  83  -8.326  -9.820   0.269
  635    HG3  ARG  83           HG3      ARG  83  -9.193 -10.062  -1.268
  636    HD2  ARG  83           HD2      ARG  83 -10.440  -9.937   1.499
  637    HD3  ARG  83           HD3      ARG  83 -10.391  -8.573   0.359
  638    HE   ARG  83           HE       ARG  83 -11.577 -10.946  -0.819
  639   HH11  ARG  83          HH11      ARG  83 -12.324  -8.153   1.243
  640   HH12  ARG  83          HH12      ARG  83 -14.035  -8.259   0.937
  641   HH21  ARG  83          HH21      ARG  83 -13.804 -11.008  -1.227
  642   HH22  ARG  83          HH22      ARG  83 -14.866  -9.834  -0.486
  643    H    GLU  84           H        GLU  84  -5.523 -11.181   0.757
  644    HA   GLU  84           HA       GLU  84  -6.499  -9.946   3.276
  645    HB2  GLU  84           HB2      GLU  84  -3.741 -11.110   2.916
  646    HB3  GLU  84           HB3      GLU  84  -4.220 -10.048   4.226
  647    HG2  GLU  84           HG2      GLU  84  -5.389 -12.798   3.704
  648    HG3  GLU  84           HG3      GLU  84  -4.293 -12.333   4.987
  649    H    LEU  85           H        LEU  85  -3.881  -9.795   0.721
  650    HA   LEU  85           HA       LEU  85  -4.295  -6.857   0.661
  651    HB2  LEU  85           HB2      LEU  85  -1.612  -8.336   0.821
  652    HB3  LEU  85           HB3      LEU  85  -1.773  -6.661   0.340
  653    HG   LEU  85           HG       LEU  85  -0.971  -6.626   2.496
  654   HD11  LEU  85          HD11      LEU  85  -2.717  -4.968   2.041
  655   HD12  LEU  85          HD12      LEU  85  -3.959  -6.072   2.655
  656   HD13  LEU  85          HD13      LEU  85  -2.716  -5.445   3.761
  657   HD21  LEU  85          HD21      LEU  85  -1.647  -8.979   3.042
  658   HD22  LEU  85          HD22      LEU  85  -1.799  -7.810   4.380
  659   HD23  LEU  85          HD23      LEU  85  -3.247  -8.338   3.507
  660    H    ARG  86           H        ARG  86  -3.714  -5.824  -1.177
  661    HA   ARG  86           HA       ARG  86  -2.332  -7.173  -3.391
  662    HB2  ARG  86           HB2      ARG  86  -5.203  -6.184  -3.503
  663    HB3  ARG  86           HB3      ARG  86  -4.153  -6.125  -4.931
  664    HG2  ARG  86           HG2      ARG  86  -4.963  -8.607  -3.389
  665    HG3  ARG  86           HG3      ARG  86  -5.448  -8.158  -5.032
  666    HD2  ARG  86           HD2      ARG  86  -2.981  -8.223  -5.653
  667    HD3  ARG  86           HD3      ARG  86  -2.674  -8.939  -4.054
  668    HE   ARG  86           HE       ARG  86  -3.903 -10.205  -6.375
  669   HH11  ARG  86          HH11      ARG  86  -3.489 -10.330  -2.861
  670   HH12  ARG  86          HH12      ARG  86  -3.815 -12.048  -2.770
  671   HH21  ARG  86          HH21      ARG  86  -4.355 -12.435  -6.210
  672   HH22  ARG  86          HH22      ARG  86  -4.322 -13.231  -4.654
  673    H    VAL  87           H        VAL  87  -0.662  -5.757  -3.531
  674    HA   VAL  87           HA       VAL  87  -1.382  -2.911  -3.914
  675    HB   VAL  87           HB       VAL  87  -0.852  -2.860  -1.639
  676   HG11  VAL  87          HG11      VAL  87   0.097  -4.990  -1.227
  677   HG12  VAL  87          HG12      VAL  87   1.543  -4.587  -2.224
  678   HG13  VAL  87          HG13      VAL  87   1.240  -3.757  -0.675
  679   HG21  VAL  87          HG21      VAL  87   0.357  -1.139  -3.016
  680   HG22  VAL  87          HG22      VAL  87   1.218  -1.563  -1.520
  681   HG23  VAL  87          HG23      VAL  87   1.766  -2.220  -3.072
  682    H    GLN  88           H        GLN  88  -0.521  -2.060  -5.584
  683    HA   GLN  88           HA       GLN  88   2.092  -2.759  -6.727
  684    HB2  GLN  88           HB2      GLN  88  -0.534  -3.283  -8.195
  685    HB3  GLN  88           HB3      GLN  88   1.077  -3.292  -8.932
  686    HG2  GLN  88           HG2      GLN  88   1.734  -5.156  -7.411
  687    HG3  GLN  88           HG3      GLN  88   0.068  -5.211  -6.801
  688   HE21  GLN  88          HE22      GLN  88   1.235  -7.450  -7.955
  689   HE22  GLN  88          HE21      GLN  88   0.472  -7.782  -9.502
  690    H    MET  89           H        MET  89   2.129  -1.486  -8.964
  691    HA   MET  89           HA       MET  89   1.756   1.284  -8.221
  692    HB2  MET  89           HB2      MET  89   2.731  -0.164 -10.705
  693    HB3  MET  89           HB3      MET  89   2.830   1.607 -10.478
  694    HG2  MET  89           HG2      MET  89   3.898  -0.293  -8.364
  695    HG3  MET  89           HG3      MET  89   4.871   0.096  -9.760
  696    HE1  MET  89           HE1      MET  89   6.645   0.870  -7.879
  697    HE2  MET  89           HE2      MET  89   6.319   2.144  -6.672
  698    HE3  MET  89           HE3      MET  89   5.457   0.588  -6.589
  699    H    ALA  90           H        ALA  90   0.393   2.811  -9.139
  700    HA   ALA  90           HA       ALA  90  -2.191   1.876 -10.015
  701    HB1  ALA  90           HB1      ALA  90  -1.801   3.895  -8.608
  702    HB2  ALA  90           HB2      ALA  90  -1.011   4.677  -9.997
  703    HB3  ALA  90           HB3      ALA  90  -2.737   4.253 -10.076
  704    H    ARG  91           H        ARG  91  -3.274   2.842 -11.968
  705    HA   ARG  91           HA       ARG  91  -1.500   3.449 -14.244
  706    HB2  ARG  91           HB2      ARG  91  -1.822   0.991 -14.242
  707    HB3  ARG  91           HB3      ARG  91  -3.582   1.221 -14.262
  708    HG2  ARG  91           HG2      ARG  91  -2.599   0.647 -16.498
  709    HG3  ARG  91           HG3      ARG  91  -3.525   2.149 -16.476
  710    HD2  ARG  91           HD2      ARG  91  -1.386   3.435 -16.292
  711    HD3  ARG  91           HD3      ARG  91  -0.486   1.909 -16.313
  712    HE   ARG  91           HE       ARG  91  -0.793   1.774 -18.602
  713   HH11  ARG  91          HH11      ARG  91  -3.050   4.170 -17.284
  714   HH12  ARG  91          HH12      ARG  91  -3.514   4.758 -18.861
  715   HH21  ARG  91          HH21      ARG  91  -1.428   2.572 -20.641
  716   HH22  ARG  91          HH22      ARG  91  -2.605   3.858 -20.751
  717    H    TYR  92           H        TYR  92  -4.173   4.166 -12.392
  718    HA   TYR  92           HA       TYR  92  -5.380   5.735 -14.615
  719    HB2  TYR  92           HB2      TYR  92  -6.977   4.485 -12.390
  720    HB3  TYR  92           HB3      TYR  92  -7.582   5.296 -13.835
  721    HD1  TYR  92           HD1      TYR  92  -6.269   4.059 -16.081
  722    HD2  TYR  92           HD2      TYR  92  -7.527   2.269 -12.379
  723    HE1  TYR  92           HE1      TYR  92  -6.402   1.852 -17.195
  724    HE2  TYR  92           HE2      TYR  92  -7.661   0.055 -13.482
  725    HH   TYR  92           HH       TYR  92  -6.872  -0.382 -16.953
  726    H    GLY  93           H        GLY  93  -6.820   7.556 -13.637
  727    HA2  GLY  93           HA2      GLY  93  -5.209   8.797 -11.443
  728    HA3  GLY  93           HA3      GLY  93  -5.883   9.678 -12.806
  729    H    ARG  94           H        ARG  94  -6.389  10.667 -10.393
  730    HA   ARG  94           HA       ARG  94  -8.679   9.685  -9.023
  731    HB2  ARG  94           HB2      ARG  94  -8.668  11.851  -7.900
  732    HB3  ARG  94           HB3      ARG  94  -7.019  11.233  -8.060
  733    HG2  ARG  94           HG2      ARG  94  -6.688  12.718 -10.054
  734    HG3  ARG  94           HG3      ARG  94  -8.339  13.343  -9.830
  735    HD2  ARG  94           HD2      ARG  94  -7.735  14.115  -7.561
  736    HD3  ARG  94           HD3      ARG  94  -6.088  13.520  -7.785
  737    HE   ARG  94           HE       ARG  94  -7.271  15.953  -8.890
  738   HH11  ARG  94          HH11      ARG  94  -4.691  13.567  -9.293
  739   HH12  ARG  94          HH12      ARG  94  -3.664  14.655 -10.194
  740   HH21  ARG  94          HH21      ARG  94  -5.900  17.357 -10.052
  741   HH22  ARG  94          HH22      ARG  94  -4.350  16.789 -10.626
  742    HA   PRO  95           HA       PRO  95 -11.986  10.898 -11.603
  743    HB2  PRO  95           HB2      PRO  95 -13.974  11.546  -9.793
  744    HB3  PRO  95           HB3      PRO  95 -13.446   9.889 -10.210
  745    HG2  PRO  95           HG2      PRO  95 -12.678  11.570  -7.809
  746    HG3  PRO  95           HG3      PRO  95 -13.074   9.833  -7.848
  747    HD2  PRO  95           HD2      PRO  95 -10.497  10.790  -7.822
  748    HD3  PRO  95           HD3      PRO  95 -10.935   9.276  -8.657
  749    HA   PRO  96           HA       PRO  96 -11.751  15.438 -11.657
  750    HB2  PRO  96           HB2      PRO  96 -12.716  15.809 -14.168
  751    HB3  PRO  96           HB3      PRO  96 -11.062  15.147 -13.885
  752    HG2  PRO  96           HG2      PRO  96 -13.606  13.614 -14.491
  753    HG3  PRO  96           HG3      PRO  96 -12.000  13.444 -15.265
  754    HD2  PRO  96           HD2      PRO  96 -12.858  11.829 -13.220
  755    HD3  PRO  96           HD3      PRO  96 -11.131  12.289 -13.403
  756    H    ASP  97           H        ASP  97 -14.364  13.240 -12.225
  757    HA   ASP  97           HA       ASP  97 -16.332  15.035 -10.960
  758    HB2  ASP  97           HB2      ASP  97 -16.601  13.761 -13.713
  759    HB3  ASP  97           HB3      ASP  97 -17.986  14.333 -12.756
  760    H    SER  98           H        SER  98 -18.075  13.724 -10.005
  761    HA   SER  98           HA       SER  98 -16.957  11.364  -8.892
  762    HB2  SER  98           HB2      SER  98 -19.866  12.262  -8.895
  763    HB3  SER  98           HB3      SER  98 -19.113  11.107  -7.777
  764    HG   SER  98           HG       SER  98 -17.785  12.772  -7.031
  765    H    HIS  99           H        HIS  99 -19.502  11.792 -11.387
  766    HA   HIS  99           HA       HIS  99 -18.929   9.179 -12.520
  767    HB2  HIS  99           HB2      HIS  99 -21.108   8.165 -12.041
  768    HB3  HIS  99           HB3      HIS  99 -20.240   8.505 -10.541
  769    HD2  HIS  99           HD2      HIS  99 -23.372   9.522 -12.501
  770    HE1  HIS  99           HE1      HIS  99 -23.559  11.607  -8.799
  771    HE2  HIS  99           HE2      HIS  99 -24.840  11.015 -10.924
  772    H    HIS 100           H        HIS 100 -19.707  12.287 -12.860
  773    HA   HIS 100           HA       HIS 100 -21.950  12.293 -14.629
  774    HB2  HIS 100           HB2      HIS 100 -19.719  14.332 -14.302
  775    HB3  HIS 100           HB3      HIS 100 -21.339  14.625 -14.958
  776    HD2  HIS 100           HD2      HIS 100 -23.279  15.113 -13.243
  777    HE1  HIS 100           HE1      HIS 100 -21.109  14.564  -9.626
  778    HE2  HIS 100           HE2      HIS 100 -23.313  15.353 -10.631
  779    H    SER 101           H        SER 101 -18.926  10.980 -15.164
  780    HA   SER 101           HA       SER 101 -19.254  11.100 -18.075
  781    HB2  SER 101           HB2      SER 101 -16.924  11.838 -18.426
  782    HB3  SER 101           HB3      SER 101 -17.890  13.084 -17.609
  783    HG   SER 101           HG       SER 101 -15.850  12.774 -16.606
  784    H5'    U 102           H5'        U 102 -12.516  -3.614 -12.599
  785   H5''    U 102          H5''        U 102 -11.953  -5.208 -12.076
  786    H4'    U 102           H4'        U 102 -11.083  -3.612 -10.534
  787    H3'    U 102           H3'        U 102 -12.548  -5.752  -9.650
  788    H2'    U 102           H2'        U 102 -14.649  -4.654  -9.467
  789   HO2'    U 102          HO2'        U 102 -13.311  -4.150  -7.015
  790    H1'    U 102           H1'        U 102 -13.401  -2.157  -8.341
  791    H3     U 102           H3         U 102 -17.820  -0.925  -8.296
  792    H5     U 102           H5         U 102 -16.924  -1.595 -12.348
  793    H6     U 102           H6         U 102 -14.751  -2.450 -11.662
  794   HO5'    U 102          HO5'        U 102 -14.176  -5.192 -12.637
  795    H5'    G 103           H5'        G 103  -8.676  -2.842  -6.860
  796   H5''    G 103          H5''        G 103 -10.370  -2.391  -7.122
  797    H4'    G 103           H4'        G 103  -8.938  -0.407  -7.137
  798    H3'    G 103           H3'        G 103 -10.391  -1.168  -9.644
  799    H2'    G 103           H2'        G 103  -8.945  -0.062 -10.924
  800   HO2'    G 103          HO2'        G 103 -10.182   1.828 -10.302
  801    H1'    G 103           H1'        G 103  -7.469   1.011  -8.534
  802    H8     G 103           H8         G 103  -5.881   2.288 -10.133
  803    H1     G 103           H1         G 103  -4.406  -3.145 -13.239
  804    H21    G 103           H21        G 103  -5.851  -4.737 -12.669
  805    H22    G 103           H22        G 103  -7.135  -4.445 -11.513
  806    H5'    G 104           H5'        G 104 -11.155   3.816  -9.189
  807   H5''    G 104          H5''        G 104 -10.267   2.897  -7.951
  808    H4'    G 104           H4'        G 104 -12.326   4.134  -6.515
  809    H3'    G 104           H3'        G 104 -11.270   5.974  -8.665
  810    H2'    G 104           H2'        G 104 -11.348   7.740  -7.056
  811   HO2'    G 104          HO2'        G 104 -13.433   7.145  -6.182
  812    H1'    G 104           H1'        G 104 -10.410   6.240  -4.952
  813    H8     G 104           H8         G 104  -8.992   8.455  -5.207
  814    H1     G 104           H1         G 104  -5.952   5.907 -10.250
  815    H21    G 104           H21        G 104  -6.945   3.986 -10.820
  816    H22    G 104           H22        G 104  -8.355   3.395  -9.963
  817    H5'    A 105           H5'        A 105 -16.365   8.355  -8.698
  818   H5''    A 105          H5''        A 105 -15.099   9.503  -9.077
  819    H4'    A 105           H4'        A 105 -15.562  10.774  -7.296
  820    H3'    A 105           H3'        A 105 -14.572   8.789  -5.760
  821    H2'    A 105           H2'        A 105 -16.315   7.285  -5.621
  822   HO2'    A 105          HO2'        A 105 -17.325   9.260  -3.859
  823    H1'    A 105           H1'        A 105 -18.630   9.061  -5.672
  824    H8     A 105           H8         A 105 -16.458   6.573  -7.500
  825    H61    A 105           H61        A 105 -21.720   4.216  -9.844
  826    H62    A 105           H62        A 105 -19.984   3.983  -9.725
  827    H2     A 105           H2         A 105 -22.694   7.929  -7.634
  828    H5'    G 106           H5'        G 106 -16.173  10.771  -1.930
  829   H5''    G 106          H5''        G 106 -17.612  11.793  -1.978
  830    H4'    G 106           H4'        G 106 -16.491  12.333   0.013
  831    H3'    G 106           H3'        G 106 -17.028  14.414  -1.659
  832    H2'    G 106           H2'        G 106 -15.121  14.254  -2.971
  833   HO2'    G 106          HO2'        G 106 -13.601  15.881  -2.135
  834    H1'    G 106           H1'        G 106 -13.226  13.939  -0.649
  835    H8     G 106           H8         G 106 -14.007  13.455  -4.276
  836    H1     G 106           H1         G 106  -8.748  10.347  -2.282
  837    H21    G 106           H21        G 106  -8.705  10.312  -0.085
  838    H22    G 106           H22        G 106  -9.945  11.068   0.898
  839    H5'    U 107           H5'        U 107 -17.217  17.332   2.621
  840   H5''    U 107          H5''        U 107 -18.012  18.286   1.352
  841    H4'    U 107           H4'        U 107 -15.333  16.853   1.113
  842    H3'    U 107           H3'        U 107 -15.921  19.549   2.000
  843   HO3'    U 107          HO3'        U 107 -13.641  19.619   1.932
  844    H2'    U 107           H2'        U 107 -16.254  20.290  -0.172
  845   HO2'    U 107          HO2'        U 107 -14.309  21.137  -0.996
  846    H1'    U 107           H1'        U 107 -14.276  18.133  -1.008
  847    H3     U 107           H3         U 107 -17.783  20.462  -4.327
  848    H5     U 107           H5         U 107 -14.150  18.701  -5.481
  849    H6     U 107           H6         U 107 -13.795  18.061  -3.163
  Start of MODEL   15
    1    H    MET   1           H1       MET   1  -2.968  15.342   4.453
    2    HA   MET   1           HA       MET   1  -3.481  15.883   1.622
    3    HB2  MET   1           HB2      MET   1  -4.217  13.603   1.422
    4    HB3  MET   1           HB3      MET   1  -2.571  13.611   2.047
    5    HG2  MET   1           HG2      MET   1  -5.105  13.272   3.705
    6    HG3  MET   1           HG3      MET   1  -4.083  11.954   3.139
    7    HE1  MET   1           HE1      MET   1  -0.849  12.303   5.221
    8    HE2  MET   1           HE2      MET   1  -1.784  11.305   4.088
    9    HE3  MET   1           HE3      MET   1  -1.151  12.891   3.573
   10    H    SER   2           H        SER   2  -5.796  15.372   1.027
   11    HA   SER   2           HA       SER   2  -7.737  15.829   3.201
   12    HB2  SER   2           HB2      SER   2  -7.493  17.698   0.804
   13    HB3  SER   2           HB3      SER   2  -8.754  17.733   2.053
   14    HG   SER   2           HG       SER   2  -7.069  19.226   2.465
   15    H    TYR   3           H        TYR   3 -10.010  16.126   1.953
   16    HA   TYR   3           HA       TYR   3 -10.222  14.035  -0.130
   17    HB2  TYR   3           HB2      TYR   3 -11.827  14.056   2.451
   18    HB3  TYR   3           HB3      TYR   3 -11.938  12.870   1.150
   19    HD1  TYR   3           HD2      TYR   3  -9.682  14.234   3.781
   20    HD2  TYR   3           HD1      TYR   3 -10.472  10.991   1.078
   21    HE1  TYR   3           HE2      TYR   3  -7.887  12.904   4.868
   22    HE2  TYR   3           HE1      TYR   3  -8.656   9.656   2.148
   23    HH   TYR   3           HH       TYR   3  -7.066   9.590   3.781
   24    H    GLY   4           H        GLY   4 -10.371  16.843  -0.339
   25    HA2  GLY   4           HA2      GLY   4 -13.255  17.294  -0.970
   26    HA3  GLY   4           HA3      GLY   4 -12.222  18.535  -0.236
   27    H    ARG   5           H        ARG   5 -11.548  16.133  -2.812
   28    HA   ARG   5           HA       ARG   5 -10.542  16.324  -4.843
   29    HB2  ARG   5           HB2      ARG   5 -12.433  18.690  -4.971
   30    HB3  ARG   5           HB3      ARG   5 -11.578  18.015  -6.375
   31    HG2  ARG   5           HG2      ARG   5 -12.730  15.871  -6.082
   32    HG3  ARG   5           HG3      ARG   5 -13.569  16.527  -4.648
   33    HD2  ARG   5           HD2      ARG   5 -14.445  18.392  -6.086
   34    HD3  ARG   5           HD3      ARG   5 -13.850  17.510  -7.508
   35    HE   ARG   5           HE       ARG   5 -16.244  17.059  -6.009
   36   HH11  ARG   5          HH11      ARG   5 -13.747  15.237  -7.746
   37   HH12  ARG   5          HH12      ARG   5 -14.794  13.842  -7.958
   38   HH21  ARG   5          HH21      ARG   5 -17.570  15.293  -6.416
   39   HH22  ARG   5          HH22      ARG   5 -16.918  13.881  -7.235
   40    HA   PRO   6           HA       PRO   6  -7.810  19.965  -3.575
   41    HB2  PRO   6           HB2      PRO   6  -5.734  18.721  -2.336
   42    HB3  PRO   6           HB3      PRO   6  -7.254  19.111  -1.458
   43    HG2  PRO   6           HG2      PRO   6  -6.511  16.483  -2.789
   44    HG3  PRO   6           HG3      PRO   6  -7.072  16.732  -1.099
   45    HD2  PRO   6           HD2      PRO   6  -8.800  16.031  -3.076
   46    HD3  PRO   6           HD3      PRO   6  -9.265  17.222  -1.813
   47    HA   PRO   7           HA       PRO   7  -5.203  18.906  -7.097
   48    HB2  PRO   7           HB2      PRO   7  -3.296  20.847  -6.953
   49    HB3  PRO   7           HB3      PRO   7  -5.009  21.225  -7.344
   50    HG2  PRO   7           HG2      PRO   7  -3.613  21.448  -4.659
   51    HG3  PRO   7           HG3      PRO   7  -4.667  22.651  -5.466
   52    HD2  PRO   7           HD2      PRO   7  -5.580  20.904  -3.553
   53    HD3  PRO   7           HD3      PRO   7  -6.606  21.462  -4.913
   54    HA   PRO   8           HA       PRO   8  -2.103  16.556  -4.762
   55    HB2  PRO   8           HB2      PRO   8  -2.150  14.307  -6.170
   56    HB3  PRO   8           HB3      PRO   8  -3.653  14.824  -5.351
   57    HG2  PRO   8           HG2      PRO   8  -2.890  15.337  -8.252
   58    HG3  PRO   8           HG3      PRO   8  -4.406  14.598  -7.636
   59    HD2  PRO   8           HD2      PRO   8  -4.146  17.290  -8.195
   60    HD3  PRO   8           HD3      PRO   8  -5.230  16.657  -6.911
   61    H    ASP   9           H        ASP   9  -0.312  14.912  -6.066
   62    HA   ASP   9           HA       ASP   9   1.047  16.561  -8.126
   63    HB2  ASP   9           HB2      ASP   9   2.322  15.387  -5.623
   64    HB3  ASP   9           HB3      ASP   9   3.196  16.134  -6.965
   65    H    VAL  10           H        VAL  10  -0.625  14.151  -8.269
   66    HA   VAL  10           HA       VAL  10   0.788  11.738  -8.344
   67    HB   VAL  10           HB       VAL  10  -1.042  10.916  -9.707
   68   HG11  VAL  10          HG11      VAL  10  -2.033  12.944  -7.667
   69   HG12  VAL  10          HG12      VAL  10  -2.920  11.532  -8.280
   70   HG13  VAL  10          HG13      VAL  10  -1.451  11.297  -7.310
   71   HG21  VAL  10          HG21      VAL  10  -1.244  12.797 -11.303
   72   HG22  VAL  10          HG22      VAL  10  -2.806  12.434 -10.535
   73   HG23  VAL  10          HG23      VAL  10  -1.860  13.840 -10.002
   74    H    GLU  11           H        GLU  11   1.242  14.415 -10.433
   75    HA   GLU  11           HA       GLU  11   2.012  12.788 -12.754
   76    HB2  GLU  11           HB2      GLU  11   2.075  15.798 -12.293
   77    HB3  GLU  11           HB3      GLU  11   2.339  14.966 -13.849
   78    HG2  GLU  11           HG2      GLU  11   0.076  13.958 -13.647
   79    HG3  GLU  11           HG3      GLU  11  -0.197  14.904 -12.176
   80    H    GLY  12           H        GLY  12   3.477  13.362  -9.910
   81    HA2  GLY  12           HA2      GLY  12   6.155  13.048 -11.054
   82    HA3  GLY  12           HA3      GLY  12   5.887  14.538 -10.113
   83    H    MET  13           H        MET  13   4.080  11.687  -9.172
   84    HA   MET  13           HA       MET  13   6.113  11.016  -7.122
   85    HB2  MET  13           HB2      MET  13   4.674  11.324  -5.290
   86    HB3  MET  13           HB3      MET  13   4.517  12.795  -6.271
   87    HG2  MET  13           HG2      MET  13   2.475  11.672  -7.339
   88    HG3  MET  13           HG3      MET  13   2.606  10.445  -6.082
   89    HE1  MET  13           HE1      MET  13  -0.320  11.986  -4.329
   90    HE2  MET  13           HE2      MET  13  -0.029  11.234  -5.921
   91    HE3  MET  13           HE3      MET  13   0.728  10.552  -4.463
   92    H    THR  14           H        THR  14   5.578   9.005  -5.922
   93    HA   THR  14           HA       THR  14   4.799   6.987  -7.882
   94    HB   THR  14           HB       THR  14   5.880   6.708  -5.070
   95   HG21  THR  14          HG21      THR  14   5.610   4.788  -7.425
   96   HG22  THR  14          HG22      THR  14   6.538   4.433  -5.951
   97   HG23  THR  14          HG23      THR  14   4.782   4.653  -5.854
   98    H    SER  15           H        SER  15   2.571   7.359  -7.969
   99    HA   SER  15           HA       SER  15   0.739   7.230  -5.778
  100    HB2  SER  15           HB2      SER  15   0.387   6.746  -8.754
  101    HB3  SER  15           HB3      SER  15  -0.954   6.785  -7.580
  102    HG   SER  15           HG       SER  15   0.885   8.872  -8.132
  103    H    LEU  16           H        LEU  16   1.580   5.420  -4.565
  104    HA   LEU  16           HA       LEU  16   1.541   2.775  -5.778
  105    HB2  LEU  16           HB2      LEU  16   3.125   3.576  -4.032
  106    HB3  LEU  16           HB3      LEU  16   1.780   3.585  -2.869
  107    HG   LEU  16           HG       LEU  16   3.399   1.613  -2.831
  108   HD11  LEU  16          HD11      LEU  16   0.469   0.890  -3.067
  109   HD12  LEU  16          HD12      LEU  16   1.736   0.146  -2.054
  110   HD13  LEU  16          HD13      LEU  16   1.169   1.781  -1.695
  111   HD21  LEU  16          HD21      LEU  16   2.865  -0.262  -4.312
  112   HD22  LEU  16          HD22      LEU  16   1.674   0.722  -5.190
  113   HD23  LEU  16          HD23      LEU  16   3.400   1.145  -5.268
  114    H    LYS  17           H        LYS  17  -0.387   1.815  -6.245
  115    HA   LYS  17           HA       LYS  17  -2.794   2.461  -4.754
  116    HB2  LYS  17           HB2      LYS  17  -2.895   2.176  -7.132
  117    HB3  LYS  17           HB3      LYS  17  -2.209   0.534  -7.023
  118    HG2  LYS  17           HG2      LYS  17  -4.197  -0.220  -5.771
  119    HG3  LYS  17           HG3      LYS  17  -4.843   1.434  -5.792
  120    HD2  LYS  17           HD2      LYS  17  -5.919   0.273  -7.591
  121    HD3  LYS  17           HD3      LYS  17  -4.701   1.344  -8.318
  122    HE2  LYS  17           HE2      LYS  17  -4.228  -0.588  -9.473
  123    HE3  LYS  17           HE3      LYS  17  -3.153  -0.813  -8.083
  124    HZ1  LYS  17           HZ1      LYS  17  -4.435  -2.788  -8.464
  125    HZ2  LYS  17           HZ2      LYS  17  -4.961  -2.099  -7.063
  126    HZ3  LYS  17           HZ3      LYS  17  -5.847  -1.949  -8.427
  127    H    VAL  18           H        VAL  18  -3.890   1.252  -3.286
  128    HA   VAL  18           HA       VAL  18  -2.987  -1.571  -2.852
  129    HB   VAL  18           HB       VAL  18  -3.916   0.332  -0.679
  130   HG11  VAL  18          HG11      VAL  18  -2.962  -2.551  -0.640
  131   HG12  VAL  18          HG12      VAL  18  -3.135  -1.540   0.808
  132   HG13  VAL  18          HG13      VAL  18  -4.562  -1.930  -0.171
  133   HG21  VAL  18          HG21      VAL  18  -1.615   0.229   0.177
  134   HG22  VAL  18          HG22      VAL  18  -1.129  -0.806  -1.181
  135   HG23  VAL  18          HG23      VAL  18  -1.608   0.886  -1.474
  136    H    ASP  19           H        ASP  19  -4.562  -3.061  -2.413
  137    HA   ASP  19           HA       ASP  19  -7.395  -2.268  -2.154
  138    HB2  ASP  19           HB2      ASP  19  -6.364  -4.083  -4.364
  139    HB3  ASP  19           HB3      ASP  19  -8.060  -3.715  -4.024
  140    H    ASN  20           H        ASN  20  -8.696  -4.493  -2.195
  141    HA   ASN  20           HA       ASN  20  -8.916  -6.713  -1.870
  142    HB2  ASN  20           HB2      ASN  20  -6.297  -6.790  -2.249
  143    HB3  ASN  20           HB3      ASN  20  -6.278  -7.118  -0.505
  144   HD21  ASN  20          HD22      ASN  20  -5.712  -9.308  -0.566
  145   HD22  ASN  20          HD21      ASN  20  -6.624 -10.515  -1.452
  146    H    LEU  21           H        LEU  21  -9.523  -4.515  -0.031
  147    HA   LEU  21           HA       LEU  21  -9.092  -5.071   2.683
  148    HB2  LEU  21           HB2      LEU  21 -11.409  -3.852   1.144
  149    HB3  LEU  21           HB3      LEU  21 -11.381  -3.888   2.898
  150    HG   LEU  21           HG       LEU  21 -10.588  -1.763   1.606
  151   HD11  LEU  21          HD11      LEU  21 -10.555  -2.050   4.039
  152   HD12  LEU  21          HD12      LEU  21  -8.987  -2.904   3.911
  153   HD13  LEU  21          HD13      LEU  21  -9.127  -1.178   3.474
  154   HD21  LEU  21          HD21      LEU  21  -8.823  -2.822   0.205
  155   HD22  LEU  21          HD22      LEU  21  -8.160  -1.606   1.304
  156   HD23  LEU  21          HD23      LEU  21  -7.969  -3.321   1.687
  157    H    THR  22           H        THR  22  -9.624  -6.765   3.892
  158    HA   THR  22           HA       THR  22 -10.562  -9.111   2.955
  159    HB   THR  22           HB       THR  22 -10.989  -8.127   5.795
  160   HG21  THR  22          HG21      THR  22 -10.284 -10.875   4.671
  161   HG22  THR  22          HG22      THR  22 -10.410 -10.449   6.395
  162   HG23  THR  22          HG23      THR  22 -11.854 -10.409   5.373
  163    H    TYR  23           H        TYR  23 -12.588  -7.066   4.999
  164    HA   TYR  23           HA       TYR  23 -14.800  -6.588   3.498
  165    HB2  TYR  23           HB2      TYR  23 -16.463  -8.143   4.199
  166    HB3  TYR  23           HB3      TYR  23 -15.227  -9.035   3.316
  167    HD1  TYR  23           HD2      TYR  23 -16.857  -8.486   6.564
  168    HD2  TYR  23           HD1      TYR  23 -13.721 -10.565   4.509
  169    HE1  TYR  23           HE2      TYR  23 -16.621 -10.034   8.503
  170    HE2  TYR  23           HE1      TYR  23 -13.467 -12.118   6.437
  171    HH   TYR  23           HH       TYR  23 -14.218 -12.686   8.523
  172    H    ARG  24           H        ARG  24 -13.212  -7.244   6.499
  173    HA   ARG  24           HA       ARG  24 -15.169  -5.600   8.025
  174    HB2  ARG  24           HB2      ARG  24 -14.218  -6.724  10.017
  175    HB3  ARG  24           HB3      ARG  24 -14.895  -7.884   8.854
  176    HG2  ARG  24           HG2      ARG  24 -12.595  -8.265   7.934
  177    HG3  ARG  24           HG3      ARG  24 -11.941  -7.197   9.198
  178    HD2  ARG  24           HD2      ARG  24 -13.560  -9.726   9.680
  179    HD3  ARG  24           HD3      ARG  24 -11.799  -9.638   9.755
  180    HE   ARG  24           HE       ARG  24 -13.706  -8.636  11.745
  181   HH11  ARG  24          HH11      ARG  24 -10.385  -8.522  10.559
  182   HH12  ARG  24          HH12      ARG  24  -9.735  -7.932  12.071
  183   HH21  ARG  24          HH21      ARG  24 -12.841  -7.863  13.705
  184   HH22  ARG  24          HH22      ARG  24 -11.125  -7.571  13.854
  185    H    THR  25           H        THR  25 -12.327  -5.321   6.388
  186    HA   THR  25           HA       THR  25 -10.786  -3.718   8.263
  187    HB   THR  25           HB       THR  25 -10.492  -3.839   5.242
  188   HG21  THR  25          HG21      THR  25  -8.536  -3.609   7.580
  189   HG22  THR  25          HG22      THR  25  -8.048  -3.821   5.885
  190   HG23  THR  25          HG23      THR  25  -8.906  -2.350   6.373
  191    H    SER  26           H        SER  26 -10.083  -1.418   7.371
  192    HA   SER  26           HA       SER  26 -12.354   0.039   6.161
  193    HB2  SER  26           HB2      SER  26 -12.419   1.643   8.020
  194    HB3  SER  26           HB3      SER  26 -12.696   0.007   8.647
  195    HG   SER  26           HG       SER  26 -11.164   1.163   9.879
  196    HA   PRO  27           HA       PRO  27  -9.042   2.353   4.385
  197    HB2  PRO  27           HB2      PRO  27  -9.949   4.960   4.334
  198    HB3  PRO  27           HB3      PRO  27 -10.537   3.669   3.245
  199    HG2  PRO  27           HG2      PRO  27 -11.793   4.698   5.799
  200    HG3  PRO  27           HG3      PRO  27 -12.598   4.306   4.236
  201    HD2  PRO  27           HD2      PRO  27 -12.609   2.600   6.364
  202    HD3  PRO  27           HD3      PRO  27 -12.550   2.010   4.689
  203    H    ASP  28           H        ASP  28 -10.351   3.449   7.510
  204    HA   ASP  28           HA       ASP  28  -8.078   5.081   8.207
  205    HB2  ASP  28           HB2      ASP  28 -10.352   5.050   9.371
  206    HB3  ASP  28           HB3      ASP  28  -9.855   3.506  10.105
  207    H    THR  29           H        THR  29  -8.750   1.596   8.206
  208    HA   THR  29           HA       THR  29  -6.482   0.993   9.920
  209    HB   THR  29           HB       THR  29  -8.113  -0.821   8.100
  210   HG21  THR  29          HG21      THR  29  -6.011  -1.318  10.253
  211   HG22  THR  29          HG22      THR  29  -7.056  -2.592   9.562
  212   HG23  THR  29          HG23      THR  29  -5.883  -1.744   8.536
  213    H    LEU  30           H        LEU  30  -7.245   0.855   6.404
  214    HA   LEU  30           HA       LEU  30  -4.687  -0.024   5.532
  215    HB2  LEU  30           HB2      LEU  30  -7.140   1.158   4.452
  216    HB3  LEU  30           HB3      LEU  30  -5.711   1.716   3.574
  217    HG   LEU  30           HG       LEU  30  -6.810  -0.339   2.619
  218   HD11  LEU  30          HD11      LEU  30  -4.502   0.109   2.053
  219   HD12  LEU  30          HD12      LEU  30  -3.944  -0.578   3.596
  220   HD13  LEU  30          HD13      LEU  30  -4.680  -1.623   2.359
  221   HD21  LEU  30          HD21      LEU  30  -7.378  -1.380   4.838
  222   HD22  LEU  30          HD22      LEU  30  -6.546  -2.479   3.717
  223   HD23  LEU  30          HD23      LEU  30  -5.653  -1.748   5.065
  224    H    ARG  31           H        ARG  31  -5.664   3.015   6.924
  225    HA   ARG  31           HA       ARG  31  -3.493   4.542   5.707
  226    HB2  ARG  31           HB2      ARG  31  -5.531   5.682   6.367
  227    HB3  ARG  31           HB3      ARG  31  -5.389   5.077   8.026
  228    HG2  ARG  31           HG2      ARG  31  -4.685   7.434   7.832
  229    HG3  ARG  31           HG3      ARG  31  -3.378   6.395   8.404
  230    HD2  ARG  31           HD2      ARG  31  -2.395   6.348   6.135
  231    HD3  ARG  31           HD3      ARG  31  -3.714   7.387   5.544
  232    HE   ARG  31           HE       ARG  31  -1.412   8.161   7.210
  233   HH11  ARG  31          HH11      ARG  31  -4.568   9.139   5.929
  234   HH12  ARG  31          HH12      ARG  31  -4.269  10.837   6.242
  235   HH21  ARG  31          HH21      ARG  31  -1.071  10.308   7.586
  236   HH22  ARG  31          HH22      ARG  31  -2.286  11.508   7.188
  237    H    ARG  32           H        ARG  32  -4.157   3.352   9.106
  238    HA   ARG  32           HA       ARG  32  -1.518   4.196   9.886
  239    HB2  ARG  32           HB2      ARG  32  -2.143   3.684  12.015
  240    HB3  ARG  32           HB3      ARG  32  -3.748   3.860  11.288
  241    HG2  ARG  32           HG2      ARG  32  -2.466   1.122  11.415
  242    HG3  ARG  32           HG3      ARG  32  -3.181   1.837  12.866
  243    HD2  ARG  32           HD2      ARG  32  -4.615   1.556  10.221
  244    HD3  ARG  32           HD3      ARG  32  -4.747   0.384  11.553
  245    HE   ARG  32           HE       ARG  32  -6.044   2.978  11.334
  246   HH11  ARG  32          HH11      ARG  32  -4.860   0.564  13.643
  247   HH12  ARG  32          HH12      ARG  32  -5.990   1.041  14.886
  248   HH21  ARG  32          HH21      ARG  32  -7.487   3.571  12.975
  249   HH22  ARG  32          HH22      ARG  32  -7.442   2.774  14.530
  250    H    VAL  33           H        VAL  33  -2.666   1.419   8.261
  251    HA   VAL  33           HA       VAL  33  -0.554  -0.385   9.233
  252    HB   VAL  33           HB       VAL  33  -2.824  -0.564   7.233
  253   HG11  VAL  33          HG11      VAL  33  -0.807  -2.710   7.970
  254   HG12  VAL  33          HG12      VAL  33  -2.335  -2.990   7.087
  255   HG13  VAL  33          HG13      VAL  33  -1.077  -1.985   6.361
  256   HG21  VAL  33          HG21      VAL  33  -3.762  -2.123   8.854
  257   HG22  VAL  33          HG22      VAL  33  -2.309  -1.970   9.885
  258   HG23  VAL  33          HG23      VAL  33  -3.402  -0.580   9.652
  259    H    PHE  34           H        PHE  34  -1.274   1.605   6.328
  260    HA   PHE  34           HA       PHE  34   1.252   0.598   5.110
  261    HB2  PHE  34           HB2      PHE  34  -1.260   1.871   4.081
  262    HB3  PHE  34           HB3      PHE  34   0.203   2.085   3.175
  263    HD1  PHE  34           HD2      PHE  34  -2.049  -0.512   4.612
  264    HD2  PHE  34           HD1      PHE  34   1.066   0.311   1.763
  265    HE1  PHE  34           HE2      PHE  34  -2.414  -2.726   3.564
  266    HE2  PHE  34           HE1      PHE  34   0.717  -1.914   0.740
  267    HZ   PHE  34           HZ       PHE  34  -1.029  -3.421   1.602
  268    H    GLU  35           H        GLU  35   0.103   3.259   6.970
  269    HA   GLU  35           HA       GLU  35   1.881   5.246   5.810
  270    HB2  GLU  35           HB2      GLU  35  -0.098   5.923   7.039
  271    HB3  GLU  35           HB3      GLU  35   0.453   5.049   8.490
  272    HG2  GLU  35           HG2      GLU  35   2.295   6.560   8.790
  273    HG3  GLU  35           HG3      GLU  35   1.979   7.348   7.226
  274    H    LYS  36           H        LYS  36   2.284   2.591   8.098
  275    HA   LYS  36           HA       LYS  36   4.503   3.726   9.517
  276    HB2  LYS  36           HB2      LYS  36   4.838   1.495  10.391
  277    HB3  LYS  36           HB3      LYS  36   3.096   1.868  10.362
  278    HG2  LYS  36           HG2      LYS  36   2.948   0.574   8.202
  279    HG3  LYS  36           HG3      LYS  36   4.641   0.081   8.441
  280    HD2  LYS  36           HD2      LYS  36   4.006  -0.852  10.688
  281    HD3  LYS  36           HD3      LYS  36   2.324  -0.409  10.364
  282    HE2  LYS  36           HE2      LYS  36   2.581  -2.739   9.852
  283    HE3  LYS  36           HE3      LYS  36   2.383  -1.862   8.322
  284    HZ1  LYS  36           HZ1      LYS  36   4.150  -3.462   8.192
  285    HZ2  LYS  36           HZ2      LYS  36   4.785  -1.960   8.065
  286    HZ3  LYS  36           HZ3      LYS  36   4.929  -2.789   9.478
  287    H    TYR  37           H        TYR  37   4.239   2.172   6.417
  288    HA   TYR  37           HA       TYR  37   7.033   1.462   6.147
  289    HB2  TYR  37           HB2      TYR  37   4.803   1.903   4.136
  290    HB3  TYR  37           HB3      TYR  37   6.422   1.321   3.720
  291    HD1  TYR  37           HD2      TYR  37   3.267   0.491   5.504
  292    HD2  TYR  37           HD1      TYR  37   7.138  -0.907   4.243
  293    HE1  TYR  37           HE2      TYR  37   2.648  -1.806   6.167
  294    HE2  TYR  37           HE1      TYR  37   6.513  -3.224   4.889
  295    HH   TYR  37           HH       TYR  37   4.930  -4.563   5.827
  296    H    GLY  38           H        GLY  38   5.202   4.449   5.734
  297    HA2  GLY  38           HA2      GLY  38   7.482   6.085   5.696
  298    HA3  GLY  38           HA3      GLY  38   7.036   5.799   4.003
  299    H    ARG  39           H        ARG  39   4.933   6.493   3.241
  300    HA   ARG  39           HA       ARG  39   3.123   7.890   5.031
  301    HB2  ARG  39           HB2      ARG  39   3.287  10.049   3.779
  302    HB3  ARG  39           HB3      ARG  39   4.666   9.693   4.832
  303    HG2  ARG  39           HG2      ARG  39   6.038   9.050   2.922
  304    HG3  ARG  39           HG3      ARG  39   4.639   9.155   1.837
  305    HD2  ARG  39           HD2      ARG  39   5.900  11.202   1.581
  306    HD3  ARG  39           HD3      ARG  39   4.432  11.600   2.465
  307    HE   ARG  39           HE       ARG  39   5.674  11.945   4.444
  308   HH11  ARG  39          HH11      ARG  39   7.757  10.947   1.759
  309   HH12  ARG  39          HH12      ARG  39   9.227  11.394   2.592
  310   HH21  ARG  39          HH21      ARG  39   7.608  12.524   5.492
  311   HH22  ARG  39          HH22      ARG  39   9.140  12.308   4.679
  312    H    VAL  40           H        VAL  40   1.321   8.885   3.855
  313    HA   VAL  40           HA       VAL  40   0.653   7.445   1.323
  314    HB   VAL  40           HB       VAL  40  -1.128   7.802   3.772
  315   HG11  VAL  40          HG11      VAL  40  -1.606   6.440   1.111
  316   HG12  VAL  40          HG12      VAL  40  -2.667   6.316   2.536
  317   HG13  VAL  40          HG13      VAL  40  -2.436   7.884   1.754
  318   HG21  VAL  40          HG21      VAL  40   0.180   5.293   2.601
  319   HG22  VAL  40          HG22      VAL  40   0.578   6.043   4.163
  320   HG23  VAL  40          HG23      VAL  40  -1.010   5.306   3.917
  321    H    GLY  41           H        GLY  41  -0.708   8.679  -0.049
  322    HA2  GLY  41           HA2      GLY  41  -0.993  11.553   0.737
  323    HA3  GLY  41           HA3      GLY  41  -0.777  10.948  -0.925
  324    H    ASP  42           H        ASP  42  -2.678   8.621  -0.116
  325    HA   ASP  42           HA       ASP  42  -5.172   9.923   0.511
  326    HB2  ASP  42           HB2      ASP  42  -4.759  10.441  -1.974
  327    HB3  ASP  42           HB3      ASP  42  -4.852   8.695  -2.270
  328    H    VAL  43           H        VAL  43  -6.818   8.450   0.951
  329    HA   VAL  43           HA       VAL  43  -6.678   5.637   0.399
  330    HB   VAL  43           HB       VAL  43  -5.050   5.421   2.067
  331   HG11  VAL  43          HG11      VAL  43  -5.145   6.392   4.302
  332   HG12  VAL  43          HG12      VAL  43  -5.095   7.656   3.051
  333   HG13  VAL  43          HG13      VAL  43  -6.624   7.281   3.887
  334   HG21  VAL  43          HG21      VAL  43  -6.094   4.145   3.796
  335   HG22  VAL  43          HG22      VAL  43  -7.627   5.022   3.619
  336   HG23  VAL  43          HG23      VAL  43  -7.078   3.932   2.330
  337    H    TYR  44           H        TYR  44  -8.784   5.644  -0.247
  338    HA   TYR  44           HA       TYR  44 -10.704   5.870   1.928
  339    HB2  TYR  44           HB2      TYR  44 -12.059   7.552   1.179
  340    HB3  TYR  44           HB3      TYR  44 -10.444   8.215   1.099
  341    HD1  TYR  44           HD2      TYR  44  -9.860   6.716  -1.727
  342    HD2  TYR  44           HD1      TYR  44 -12.943   9.300  -0.165
  343    HE1  TYR  44           HE2      TYR  44 -10.375   7.475  -3.995
  344    HE2  TYR  44           HE1      TYR  44 -13.442  10.088  -2.441
  345    HH   TYR  44           HH       TYR  44 -12.966   9.880  -4.680
  346    H    ILE  45           H        ILE  45 -13.034   5.564   1.000
  347    HA   ILE  45           HA       ILE  45 -12.899   3.307  -0.932
  348    HB   ILE  45           HB       ILE  45 -14.530   3.429   1.632
  349   HG12  ILE  45          HG12      ILE  45 -12.016   1.946   0.823
  350   HG13  ILE  45          HG13      ILE  45 -12.233   3.050   2.193
  351   HG21  ILE  45          HG21      ILE  45 -14.134   1.145  -0.338
  352   HG22  ILE  45          HG22      ILE  45 -15.235   1.195   1.067
  353   HG23  ILE  45          HG23      ILE  45 -15.558   2.213  -0.348
  354   HD11  ILE  45          HD11      ILE  45 -13.414   0.252   1.872
  355   HD12  ILE  45          HD12      ILE  45 -12.191   0.783   3.031
  356   HD13  ILE  45          HD13      ILE  45 -13.863   1.384   3.177
  357    HA   PRO  46           HA       PRO  46 -15.867   6.216  -2.630
  358    HB2  PRO  46           HB2      PRO  46 -15.938   5.194  -5.159
  359    HB3  PRO  46           HB3      PRO  46 -14.521   6.100  -4.535
  360    HG2  PRO  46           HG2      PRO  46 -14.917   3.088  -4.661
  361    HG3  PRO  46           HG3      PRO  46 -13.492   4.037  -5.205
  362    HD2  PRO  46           HD2      PRO  46 -13.604   2.820  -2.773
  363    HD3  PRO  46           HD3      PRO  46 -12.775   4.392  -3.000
  364    H    ARG  47           H        ARG  47 -16.205   2.828  -2.141
  365    HA   ARG  47           HA       ARG  47 -17.878   1.290  -2.585
  366    HB2  ARG  47           HB2      ARG  47 -19.447   3.494  -1.181
  367    HB3  ARG  47           HB3      ARG  47 -19.855   1.768  -1.244
  368    HG2  ARG  47           HG2      ARG  47 -17.662   1.296  -0.086
  369    HG3  ARG  47           HG3      ARG  47 -17.452   3.060   0.102
  370    HD2  ARG  47           HD2      ARG  47 -19.579   3.181   1.341
  371    HD3  ARG  47           HD3      ARG  47 -19.810   1.440   1.136
  372    HE   ARG  47           HE       ARG  47 -17.379   2.460   2.528
  373   HH11  ARG  47          HH11      ARG  47 -20.418   0.641   2.650
  374   HH12  ARG  47          HH12      ARG  47 -20.067  -0.058   4.209
  375   HH21  ARG  47          HH21      ARG  47 -16.958   1.536   4.559
  376   HH22  ARG  47          HH22      ARG  47 -18.117   0.452   5.291
  377    H    ASP  48           H        ASP  48 -20.521   3.437  -2.651
  378    HA   ASP  48           HA       ASP  48 -20.642   3.654  -5.604
  379    HB2  ASP  48           HB2      ASP  48 -22.653   2.255  -3.796
  380    HB3  ASP  48           HB3      ASP  48 -23.047   2.805  -5.436
  381    H    ARG  49           H        ARG  49 -20.453   5.207  -2.925
  382    HA   ARG  49           HA       ARG  49 -20.921   7.264  -2.248
  383    HB2  ARG  49           HB2      ARG  49 -19.909   7.998  -4.153
  384    HB3  ARG  49           HB3      ARG  49 -21.146   7.357  -5.219
  385    HG2  ARG  49           HG2      ARG  49 -22.697   9.151  -4.605
  386    HG3  ARG  49           HG3      ARG  49 -21.518   9.805  -3.440
  387    HD2  ARG  49           HD2      ARG  49 -19.953  10.295  -5.211
  388    HD3  ARG  49           HD3      ARG  49 -20.935   9.434  -6.399
  389    HE   ARG  49           HE       ARG  49 -22.735  11.245  -5.646
  390   HH11  ARG  49          HH11      ARG  49 -19.275  11.807  -6.210
  391   HH12  ARG  49          HH12      ARG  49 -19.539  13.441  -6.768
  392   HH21  ARG  49          HH21      ARG  49 -23.017  13.373  -6.371
  393   HH22  ARG  49          HH22      ARG  49 -21.626  14.325  -6.828
  394    H    TYR  50           H        TYR  50 -23.648   5.517  -3.432
  395    HA   TYR  50           HA       TYR  50 -25.298   7.159  -1.631
  396    HB2  TYR  50           HB2      TYR  50 -27.111   7.421  -3.255
  397    HB3  TYR  50           HB3      TYR  50 -25.636   8.220  -3.795
  398    HD1  TYR  50           HD1      TYR  50 -24.275   7.253  -5.624
  399    HD2  TYR  50           HD2      TYR  50 -28.052   5.548  -4.466
  400    HE1  TYR  50           HE1      TYR  50 -24.347   5.991  -7.751
  401    HE2  TYR  50           HE2      TYR  50 -28.161   4.316  -6.628
  402    HH   TYR  50           HH       TYR  50 -25.556   4.560  -9.077
  403    H    THR  51           H        THR  51 -24.394   4.068  -2.760
  404    HA   THR  51           HA       THR  51 -26.762   2.958  -1.306
  405    HB   THR  51           HB       THR  51 -26.564   0.919  -2.597
  406   HG21  THR  51          HG21      THR  51 -27.776   2.835  -3.723
  407   HG22  THR  51          HG22      THR  51 -26.240   3.234  -4.550
  408   HG23  THR  51          HG23      THR  51 -27.037   1.675  -4.857
  409    H    LYS  52           H        LYS  52 -23.340   3.266  -1.546
  410    HA   LYS  52           HA       LYS  52 -21.625   2.623  -0.274
  411    HB2  LYS  52           HB2      LYS  52 -23.664   2.526   1.973
  412    HB3  LYS  52           HB3      LYS  52 -21.929   2.864   2.099
  413    HG2  LYS  52           HG2      LYS  52 -22.474   5.042   1.982
  414    HG3  LYS  52           HG3      LYS  52 -22.738   4.765   0.256
  415    HD2  LYS  52           HD2      LYS  52 -24.667   5.905   1.190
  416    HD3  LYS  52           HD3      LYS  52 -25.155   4.255   0.762
  417    HE2  LYS  52           HE2      LYS  52 -24.853   3.568   3.126
  418    HE3  LYS  52           HE3      LYS  52 -24.358   5.220   3.538
  419    HZ1  LYS  52           HZ1      LYS  52 -26.530   5.972   2.840
  420    HZ2  LYS  52           HZ2      LYS  52 -26.993   4.438   2.469
  421    HZ3  LYS  52           HZ3      LYS  52 -26.667   4.853   4.026
  422    H    GLU  53           H        GLU  53 -23.303   0.313  -1.430
  423    HA   GLU  53           HA       GLU  53 -23.131  -1.819   0.473
  424    HB2  GLU  53           HB2      GLU  53 -23.521  -3.266  -1.528
  425    HB3  GLU  53           HB3      GLU  53 -24.705  -1.969  -1.335
  426    HG2  GLU  53           HG2      GLU  53 -23.589  -0.622  -3.035
  427    HG3  GLU  53           HG3      GLU  53 -22.302  -1.844  -3.190
  428    H    SER  54           H        SER  54 -20.636  -0.140  -0.898
  429    HA   SER  54           HA       SER  54 -18.416  -0.441  -1.079
  430    HB2  SER  54           HB2      SER  54 -18.753  -1.271   1.241
  431    HB3  SER  54           HB3      SER  54 -18.817  -2.930   0.603
  432    HG   SER  54           HG       SER  54 -16.716  -2.304   1.290
  433    H    ARG  55           H        ARG  55 -16.603  -2.098  -1.647
  434    HA   ARG  55           HA       ARG  55 -17.517  -3.946  -3.778
  435    HB2  ARG  55           HB2      ARG  55 -15.624  -1.599  -4.168
  436    HB3  ARG  55           HB3      ARG  55 -15.879  -2.891  -5.356
  437    HG2  ARG  55           HG2      ARG  55 -18.043  -1.000  -4.328
  438    HG3  ARG  55           HG3      ARG  55 -17.189  -0.830  -5.862
  439    HD2  ARG  55           HD2      ARG  55 -18.023  -3.025  -6.607
  440    HD3  ARG  55           HD3      ARG  55 -18.891  -3.227  -5.078
  441    HE   ARG  55           HE       ARG  55 -19.937  -0.884  -5.901
  442   HH11  ARG  55          HH11      ARG  55 -19.413  -3.916  -7.634
  443   HH12  ARG  55          HH12      ARG  55 -20.739  -3.648  -8.746
  444   HH21  ARG  55          HH21      ARG  55 -21.654  -0.556  -7.358
  445   HH22  ARG  55          HH22      ARG  55 -22.025  -1.762  -8.571
  446    H    GLY  56           H        GLY  56 -15.555  -3.461  -1.109
  447    HA2  GLY  56           HA2      GLY  56 -14.307  -5.232  -0.210
  448    HA3  GLY  56           HA3      GLY  56 -14.148  -5.950  -1.822
  449    H    PHE  57           H        PHE  57 -13.338  -2.527  -1.569
  450    HA   PHE  57           HA       PHE  57 -10.510  -3.079  -0.968
  451    HB2  PHE  57           HB2      PHE  57  -9.664  -2.252  -3.032
  452    HB3  PHE  57           HB3      PHE  57 -10.713  -3.624  -3.358
  453    HD1  PHE  57           HD2      PHE  57 -12.893  -3.311  -4.514
  454    HD2  PHE  57           HD1      PHE  57 -10.242   0.000  -3.761
  455    HE1  PHE  57           HE2      PHE  57 -14.078  -1.970  -6.214
  456    HE2  PHE  57           HE1      PHE  57 -11.462   1.351  -5.433
  457    HZ   PHE  57           HZ       PHE  57 -13.386   0.380  -6.655
  458    H    ALA  58           H        ALA  58  -9.230  -1.065  -1.053
  459    HA   ALA  58           HA       ALA  58 -10.733   1.455  -0.744
  460    HB1  ALA  58           HB1      ALA  58  -8.734   0.432   1.327
  461    HB2  ALA  58           HB2      ALA  58  -9.586   1.980   1.349
  462    HB3  ALA  58           HB3      ALA  58 -10.495   0.465   1.565
  463    H    PHE  59           H        PHE  59  -9.782   2.587  -2.367
  464    HA   PHE  59           HA       PHE  59  -7.160   1.811  -3.350
  465    HB2  PHE  59           HB2      PHE  59  -8.823   2.575  -4.925
  466    HB3  PHE  59           HB3      PHE  59  -9.069   4.070  -4.018
  467    HD1  PHE  59           HD1      PHE  59  -7.455   5.863  -4.044
  468    HD2  PHE  59           HD2      PHE  59  -6.915   2.398  -6.568
  469    HE1  PHE  59           HE1      PHE  59  -5.804   7.083  -5.381
  470    HE2  PHE  59           HE2      PHE  59  -5.194   3.600  -7.831
  471    HZ   PHE  59           HZ       PHE  59  -4.585   5.918  -7.239
  472    H    VAL  60           H        VAL  60  -5.430   2.179  -2.202
  473    HA   VAL  60           HA       VAL  60  -5.120   4.791  -0.780
  474    HB   VAL  60           HB       VAL  60  -3.398   2.275  -0.745
  475   HG11  VAL  60          HG11      VAL  60  -3.299   4.786   0.965
  476   HG12  VAL  60          HG12      VAL  60  -2.409   3.288   1.302
  477   HG13  VAL  60          HG13      VAL  60  -2.041   4.209  -0.160
  478   HG21  VAL  60          HG21      VAL  60  -4.330   2.085   1.607
  479   HG22  VAL  60          HG22      VAL  60  -5.488   3.361   1.178
  480   HG23  VAL  60          HG23      VAL  60  -5.535   1.802   0.324
  481    H    ARG  61           H        ARG  61  -3.105   6.008  -1.170
  482    HA   ARG  61           HA       ARG  61  -1.550   5.174  -3.530
  483    HB2  ARG  61           HB2      ARG  61  -2.033   6.890  -4.878
  484    HB3  ARG  61           HB3      ARG  61  -3.566   6.874  -4.004
  485    HG2  ARG  61           HG2      ARG  61  -2.653   8.650  -2.482
  486    HG3  ARG  61           HG3      ARG  61  -1.192   8.709  -3.497
  487    HD2  ARG  61           HD2      ARG  61  -4.040   9.293  -4.381
  488    HD3  ARG  61           HD3      ARG  61  -2.741  10.476  -4.168
  489    HE   ARG  61           HE       ARG  61  -1.525   9.162  -6.005
  490   HH11  ARG  61          HH11      ARG  61  -5.044   9.435  -5.811
  491   HH12  ARG  61          HH12      ARG  61  -5.271   9.079  -7.509
  492   HH21  ARG  61          HH21      ARG  61  -1.865   8.750  -8.226
  493   HH22  ARG  61          HH22      ARG  61  -3.501   8.711  -8.861
  494    H    PHE  62           H        PHE  62   0.577   5.271  -2.980
  495    HA   PHE  62           HA       PHE  62   1.469   7.114  -0.818
  496    HB2  PHE  62           HB2      PHE  62   3.000   5.057  -2.450
  497    HB3  PHE  62           HB3      PHE  62   3.710   6.105  -1.277
  498    HD1  PHE  62           HD2      PHE  62   0.464   4.197  -0.924
  499    HD2  PHE  62           HD1      PHE  62   4.507   4.815   0.416
  500    HE1  PHE  62           HE2      PHE  62   0.097   2.601   0.916
  501    HE2  PHE  62           HE1      PHE  62   4.156   3.161   2.217
  502    HZ   PHE  62           HZ       PHE  62   1.967   2.030   2.457
  503    H    HIS  63           H        HIS  63   3.774   8.059  -1.454
  504    HA   HIS  63           HA       HIS  63   3.664   9.201  -4.185
  505    HB2  HIS  63           HB2      HIS  63   4.658  11.289  -2.666
  506    HB3  HIS  63           HB3      HIS  63   3.083  11.150  -3.428
  507    HD2  HIS  63           HD2      HIS  63   3.923   9.364   0.003
  508    HE1  HIS  63           HE1      HIS  63   0.980  12.347   0.664
  509    HE2  HIS  63           HE2      HIS  63   2.304  10.456   1.722
  510    H    ASP  64           H        ASP  64   5.575   8.147  -1.452
  511    HA   ASP  64           HA       ASP  64   8.100   8.911  -2.803
  512    HB2  ASP  64           HB2      ASP  64   7.262   7.771  -0.151
  513    HB3  ASP  64           HB3      ASP  64   8.948   7.578  -0.715
  514    H    LYS  65           H        LYS  65   9.216   7.546  -4.095
  515    HA   LYS  65           HA       LYS  65   8.094   5.060  -4.892
  516    HB2  LYS  65           HB2      LYS  65   9.479   6.293  -6.401
  517    HB3  LYS  65           HB3      LYS  65  10.829   6.319  -5.264
  518    HG2  LYS  65           HG2      LYS  65  11.214   4.719  -7.080
  519    HG3  LYS  65           HG3      LYS  65  11.189   3.930  -5.508
  520    HD2  LYS  65           HD2      LYS  65  10.002   2.578  -7.161
  521    HD3  LYS  65           HD3      LYS  65   8.885   3.138  -5.909
  522    HE2  LYS  65           HE2      LYS  65   7.835   3.340  -8.077
  523    HE3  LYS  65           HE3      LYS  65   8.116   4.955  -7.414
  524    HZ1  LYS  65           HZ1      LYS  65   9.822   3.611  -9.412
  525    HZ2  LYS  65           HZ2      LYS  65   8.746   4.815  -9.733
  526    HZ3  LYS  65           HZ3      LYS  65  10.067   5.117  -8.807
  527    H    ARG  66           H        ARG  66  10.907   5.745  -2.730
  528    HA   ARG  66           HA       ARG  66  11.710   3.061  -2.540
  529    HB2  ARG  66           HB2      ARG  66  13.000   3.704  -0.612
  530    HB3  ARG  66           HB3      ARG  66  13.160   4.905  -1.885
  531    HG2  ARG  66           HG2      ARG  66  11.253   5.214   0.467
  532    HG3  ARG  66           HG3      ARG  66  12.933   5.744   0.512
  533    HD2  ARG  66           HD2      ARG  66  10.806   6.787  -1.395
  534    HD3  ARG  66           HD3      ARG  66  11.487   7.624   0.004
  535    HE   ARG  66           HE       ARG  66  13.533   6.776  -1.879
  536   HH11  ARG  66          HH11      ARG  66  11.185   9.363  -1.175
  537   HH12  ARG  66          HH12      ARG  66  12.074  10.543  -2.098
  538   HH21  ARG  66          HH21      ARG  66  14.629   8.369  -3.078
  539   HH22  ARG  66          HH22      ARG  66  14.002   9.998  -3.157
  540    H    ASP  67           H        ASP  67   9.144   4.699  -0.639
  541    HA   ASP  67           HA       ASP  67   8.955   2.187   0.938
  542    HB2  ASP  67           HB2      ASP  67   7.362   3.517   2.357
  543    HB3  ASP  67           HB3      ASP  67   9.067   3.977   2.394
  544    H    ALA  68           H        ALA  68   7.493   3.707  -1.769
  545    HA   ALA  68           HA       ALA  68   4.934   2.363  -1.581
  546    HB1  ALA  68           HB1      ALA  68   6.617   3.479  -3.871
  547    HB2  ALA  68           HB2      ALA  68   5.007   2.789  -4.106
  548    HB3  ALA  68           HB3      ALA  68   5.195   4.242  -3.102
  549    H    GLU  69           H        GLU  69   8.132   1.665  -3.142
  550    HA   GLU  69           HA       GLU  69   7.217  -0.917  -4.075
  551    HB2  GLU  69           HB2      GLU  69   9.488  -1.252  -4.835
  552    HB3  GLU  69           HB3      GLU  69   8.929   0.366  -5.290
  553    HG2  GLU  69           HG2      GLU  69  10.261   1.402  -3.568
  554    HG3  GLU  69           HG3      GLU  69  10.570  -0.141  -2.789
  555    H    ASP  70           H        ASP  70   8.762   0.249  -1.082
  556    HA   ASP  70           HA       ASP  70   9.553  -2.430  -0.280
  557    HB2  ASP  70           HB2      ASP  70  10.559  -0.333   0.627
  558    HB3  ASP  70           HB3      ASP  70   9.014   0.043   1.414
  559    H    ALA  71           H        ALA  71   6.629  -0.371   0.239
  560    HA   ALA  71           HA       ALA  71   5.473  -2.121   2.169
  561    HB1  ALA  71           HB1      ALA  71   4.151  -0.194   0.211
  562    HB2  ALA  71           HB2      ALA  71   3.379  -0.890   1.654
  563    HB3  ALA  71           HB3      ALA  71   4.749   0.220   1.845
  564    H    MET  72           H        MET  72   5.439  -2.176  -1.421
  565    HA   MET  72           HA       MET  72   3.392  -4.244  -1.431
  566    HB2  MET  72           HB2      MET  72   3.572  -4.202  -3.747
  567    HB3  MET  72           HB3      MET  72   4.077  -2.557  -3.295
  568    HG2  MET  72           HG2      MET  72   6.423  -3.193  -3.493
  569    HG3  MET  72           HG3      MET  72   5.963  -4.853  -3.924
  570    HE1  MET  72           HE1      MET  72   3.903  -1.751  -5.333
  571    HE2  MET  72           HE2      MET  72   5.479  -1.158  -4.766
  572    HE3  MET  72           HE3      MET  72   5.101  -1.144  -6.508
  573    H    ASP  73           H        ASP  73   6.924  -4.077  -1.596
  574    HA   ASP  73           HA       ASP  73   7.279  -6.921  -1.973
  575    HB2  ASP  73           HB2      ASP  73   8.836  -5.144  -2.782
  576    HB3  ASP  73           HB3      ASP  73   9.271  -4.806  -1.096
  577    H    ALA  74           H        ALA  74   6.100  -5.357   0.727
  578    HA   ALA  74           HA       ALA  74   7.479  -7.292   2.518
  579    HB1  ALA  74           HB1      ALA  74   6.757  -4.406   3.088
  580    HB2  ALA  74           HB2      ALA  74   7.500  -5.534   4.245
  581    HB3  ALA  74           HB3      ALA  74   8.403  -5.016   2.800
  582    H    MET  75           H        MET  75   4.434  -6.131   1.326
  583    HA   MET  75           HA       MET  75   3.188  -7.660   3.524
  584    HB2  MET  75           HB2      MET  75   3.387  -5.048   3.894
  585    HB3  MET  75           HB3      MET  75   1.945  -5.022   2.848
  586    HG2  MET  75           HG2      MET  75   0.780  -6.526   4.356
  587    HG3  MET  75           HG3      MET  75   2.262  -6.815   5.278
  588    HE1  MET  75           HE1      MET  75   0.506  -2.544   5.251
  589    HE2  MET  75           HE2      MET  75   1.639  -3.207   4.068
  590    HE3  MET  75           HE3      MET  75  -0.044  -3.796   4.108
  591    H    ASP  76           H        ASP  76   3.023  -6.817   0.111
  592    HA   ASP  76           HA       ASP  76   0.264  -7.397  -0.270
  593    HB2  ASP  76           HB2      ASP  76   1.148  -6.732  -2.246
  594    HB3  ASP  76           HB3      ASP  76   2.725  -7.443  -1.930
  595    H    GLY  77           H        GLY  77  -0.916  -9.151  -0.018
  596    HA2  GLY  77           HA2      GLY  77  -1.522 -11.362   0.038
  597    HA3  GLY  77           HA3      GLY  77   0.102 -11.805  -0.511
  598    H    ALA  78           H        ALA  78  -0.461  -9.916   2.511
  599    HA   ALA  78           HA       ALA  78   0.907 -12.059   3.971
  600    HB1  ALA  78           HB1      ALA  78  -0.256  -9.447   5.034
  601    HB2  ALA  78           HB2      ALA  78   0.926 -10.500   5.827
  602    HB3  ALA  78           HB3      ALA  78   1.387  -9.617   4.350
  603    H    VAL  79           H        VAL  79  -1.429 -12.988   2.893
  604    HA   VAL  79           HA       VAL  79  -3.751 -12.544   4.502
  605    HB   VAL  79           HB       VAL  79  -3.278 -14.810   2.553
  606   HG11  VAL  79          HG11      VAL  79  -5.832 -13.364   3.175
  607   HG12  VAL  79          HG12      VAL  79  -5.536 -14.647   1.970
  608   HG13  VAL  79          HG13      VAL  79  -5.378 -15.028   3.676
  609   HG21  VAL  79          HG21      VAL  79  -2.541 -12.862   1.367
  610   HG22  VAL  79          HG22      VAL  79  -4.189 -13.183   0.817
  611   HG23  VAL  79          HG23      VAL  79  -3.880 -11.884   2.009
  612    H    LEU  80           H        LEU  80  -5.089 -14.165   5.382
  613    HA   LEU  80           HA       LEU  80  -3.886 -16.567   6.507
  614    HB2  LEU  80           HB2      LEU  80  -4.432 -15.766   8.902
  615    HB3  LEU  80           HB3      LEU  80  -2.939 -15.233   8.138
  616    HG   LEU  80           HG       LEU  80  -3.828 -13.043   7.666
  617   HD11  LEU  80          HD11      LEU  80  -6.466 -14.086   8.778
  618   HD12  LEU  80          HD12      LEU  80  -6.094 -12.371   8.452
  619   HD13  LEU  80          HD13      LEU  80  -6.141 -13.522   7.116
  620   HD21  LEU  80          HD21      LEU  80  -2.930 -13.473   9.919
  621   HD22  LEU  80          HD22      LEU  80  -4.224 -12.257   9.965
  622   HD23  LEU  80          HD23      LEU  80  -4.563 -13.921  10.486
  623    H    ASP  81           H        ASP  81  -6.493 -15.219   5.103
  624    HA   ASP  81           HA       ASP  81  -8.258 -17.190   6.381
  625    HB2  ASP  81           HB2      ASP  81  -8.475 -15.033   7.665
  626    HB3  ASP  81           HB3      ASP  81  -9.036 -14.252   6.186
  627    H    GLY  82           H        GLY  82  -7.099 -15.907   3.574
  628    HA2  GLY  82           HA2      GLY  82  -8.176 -17.261   1.650
  629    HA3  GLY  82           HA3      GLY  82  -9.642 -16.352   2.065
  630    H    ARG  83           H        ARG  83  -7.820 -13.992   2.747
  631    HA   ARG  83           HA       ARG  83  -6.289 -13.047   0.676
  632    HB2  ARG  83           HB2      ARG  83  -7.653 -11.575  -0.627
  633    HB3  ARG  83           HB3      ARG  83  -8.335 -13.186  -0.763
  634    HG2  ARG  83           HG2      ARG  83 -10.252 -12.113  -0.375
  635    HG3  ARG  83           HG3      ARG  83  -9.774 -12.302   1.340
  636    HD2  ARG  83           HD2      ARG  83  -9.026 -10.002   1.437
  637    HD3  ARG  83           HD3      ARG  83  -9.076  -9.851  -0.325
  638    HE   ARG  83           HE       ARG  83 -11.438  -9.971   1.488
  639   HH11  ARG  83          HH11      ARG  83 -10.066  -9.305  -1.714
  640   HH12  ARG  83          HH12      ARG  83 -11.535  -8.556  -2.299
  641   HH21  ARG  83          HH21      ARG  83 -13.307  -9.005   0.697
  642   HH22  ARG  83          HH22      ARG  83 -13.387  -8.434  -0.955
  643    H    GLU  84           H        GLU  84  -5.302 -11.223   1.511
  644    HA   GLU  84           HA       GLU  84  -6.833  -9.748   3.587
  645    HB2  GLU  84           HB2      GLU  84  -4.006 -10.716   3.835
  646    HB3  GLU  84           HB3      GLU  84  -4.677  -9.417   4.824
  647    HG2  GLU  84           HG2      GLU  84  -5.717 -12.269   4.720
  648    HG3  GLU  84           HG3      GLU  84  -4.739 -11.569   5.989
  649    H    LEU  85           H        LEU  85  -4.273  -9.728   1.093
  650    HA   LEU  85           HA       LEU  85  -4.536  -6.793   0.809
  651    HB2  LEU  85           HB2      LEU  85  -1.818  -8.057   1.271
  652    HB3  LEU  85           HB3      LEU  85  -2.189  -6.367   0.942
  653    HG   LEU  85           HG       LEU  85  -3.697  -6.699   3.174
  654   HD11  LEU  85          HD11      LEU  85  -2.478  -8.101   4.749
  655   HD12  LEU  85          HD12      LEU  85  -2.972  -9.064   3.331
  656   HD13  LEU  85          HD13      LEU  85  -1.283  -8.516   3.488
  657   HD21  LEU  85          HD21      LEU  85  -0.732  -6.099   2.987
  658   HD22  LEU  85          HD22      LEU  85  -2.088  -4.961   2.786
  659   HD23  LEU  85          HD23      LEU  85  -1.778  -5.700   4.381
  660    H    ARG  86           H        ARG  86  -3.886  -6.020  -1.144
  661    HA   ARG  86           HA       ARG  86  -2.060  -7.474  -2.900
  662    HB2  ARG  86           HB2      ARG  86  -4.922  -6.799  -3.727
  663    HB3  ARG  86           HB3      ARG  86  -3.597  -7.007  -4.882
  664    HG2  ARG  86           HG2      ARG  86  -4.656  -9.110  -2.963
  665    HG3  ARG  86           HG3      ARG  86  -4.865  -9.066  -4.718
  666    HD2  ARG  86           HD2      ARG  86  -2.392  -9.215  -5.007
  667    HD3  ARG  86           HD3      ARG  86  -2.219  -9.347  -3.242
  668    HE   ARG  86           HE       ARG  86  -4.022 -11.323  -4.361
  669   HH11  ARG  86          HH11      ARG  86  -0.658 -10.547  -3.582
  670   HH12  ARG  86          HH12      ARG  86  -0.147 -12.211  -3.563
  671   HH21  ARG  86          HH21      ARG  86  -3.333 -13.511  -4.300
  672   HH22  ARG  86          HH22      ARG  86  -1.660 -13.885  -3.947
  673    H    VAL  87           H        VAL  87  -0.630  -5.972  -3.516
  674    HA   VAL  87           HA       VAL  87  -1.505  -3.154  -3.835
  675    HB   VAL  87           HB       VAL  87  -0.880  -3.133  -1.564
  676   HG11  VAL  87          HG11      VAL  87   0.156  -5.253  -1.277
  677   HG12  VAL  87          HG12      VAL  87   1.564  -4.744  -2.280
  678   HG13  VAL  87          HG13      VAL  87   1.250  -3.992  -0.697
  679   HG21  VAL  87          HG21      VAL  87   0.194  -1.355  -2.933
  680   HG22  VAL  87          HG22      VAL  87   1.156  -1.804  -1.498
  681   HG23  VAL  87          HG23      VAL  87   1.642  -2.384  -3.103
  682    H    GLN  88           H        GLN  88  -0.488  -2.028  -5.341
  683    HA   GLN  88           HA       GLN  88   2.049  -2.705  -6.547
  684    HB2  GLN  88           HB2      GLN  88   1.172  -3.327  -8.746
  685    HB3  GLN  88           HB3      GLN  88   0.647  -4.508  -7.535
  686    HG2  GLN  88           HG2      GLN  88  -1.564  -3.421  -7.407
  687    HG3  GLN  88           HG3      GLN  88  -1.031  -2.171  -8.546
  688   HE21  GLN  88          HE22      GLN  88  -1.291  -2.510 -10.707
  689   HE22  GLN  88          HE21      GLN  88  -1.743  -4.048 -11.419
  690    H    MET  89           H        MET  89   2.316  -1.343  -8.591
  691    HA   MET  89           HA       MET  89   1.761   1.379  -7.885
  692    HB2  MET  89           HB2      MET  89   2.883   0.018 -10.362
  693    HB3  MET  89           HB3      MET  89   2.928   1.778 -10.090
  694    HG2  MET  89           HG2      MET  89   3.943  -0.084  -7.944
  695    HG3  MET  89           HG3      MET  89   4.958   0.225  -9.329
  696    HE1  MET  89           HE1      MET  89   6.667   0.922  -7.397
  697    HE2  MET  89           HE2      MET  89   6.444   2.320  -6.314
  698    HE3  MET  89           HE3      MET  89   5.437   0.870  -6.104
  699    H    ALA  90           H        ALA  90   0.288   2.818  -8.724
  700    HA   ALA  90           HA       ALA  90  -2.085   1.867 -10.069
  701    HB1  ALA  90           HB1      ALA  90  -2.716   4.212 -10.109
  702    HB2  ALA  90           HB2      ALA  90  -2.055   3.779  -8.517
  703    HB3  ALA  90           HB3      ALA  90  -1.054   4.690  -9.672
  704    H    ARG  91           H        ARG  91  -2.824   2.524 -12.195
  705    HA   ARG  91           HA       ARG  91  -0.890   3.736 -14.041
  706    HB2  ARG  91           HB2      ARG  91  -0.669   1.150 -14.035
  707    HB3  ARG  91           HB3      ARG  91  -2.256   1.153 -14.842
  708    HG2  ARG  91           HG2      ARG  91  -1.323   2.569 -16.656
  709    HG3  ARG  91           HG3      ARG  91   0.245   2.602 -15.820
  710    HD2  ARG  91           HD2      ARG  91   0.390   0.141 -16.011
  711    HD3  ARG  91           HD3      ARG  91  -1.184   0.112 -16.822
  712    HE   ARG  91           HE       ARG  91   0.466   1.887 -18.273
  713   HH11  ARG  91          HH11      ARG  91   0.348  -1.553 -17.477
  714   HH12  ARG  91          HH12      ARG  91   1.171  -2.043 -18.942
  715   HH21  ARG  91          HH21      ARG  91   1.540   1.223 -20.175
  716   HH22  ARG  91          HH22      ARG  91   1.826  -0.479 -20.468
  717    H    TYR  92           H        TYR  92  -3.469   4.277 -12.628
  718    HA   TYR  92           HA       TYR  92  -5.091   5.200 -14.911
  719    HB2  TYR  92           HB2      TYR  92  -5.931   2.975 -14.457
  720    HB3  TYR  92           HB3      TYR  92  -5.939   3.284 -12.728
  721    HD1  TYR  92           HD1      TYR  92  -7.309   5.645 -15.315
  722    HD2  TYR  92           HD2      TYR  92  -8.131   2.671 -12.333
  723    HE1  TYR  92           HE1      TYR  92  -9.704   6.287 -15.335
  724    HE2  TYR  92           HE2      TYR  92 -10.505   3.298 -12.311
  725    HH   TYR  92           HH       TYR  92 -11.799   5.907 -14.451
  726    H    GLY  93           H        GLY  93  -6.556   6.969 -14.171
  727    HA2  GLY  93           HA2      GLY  93  -5.226   8.379 -11.903
  728    HA3  GLY  93           HA3      GLY  93  -5.944   9.132 -13.318
  729    H    ARG  94           H        ARG  94  -6.674  10.341 -11.210
  730    HA   ARG  94           HA       ARG  94  -8.730   9.271  -9.575
  731    HB2  ARG  94           HB2      ARG  94  -8.269  12.176 -10.348
  732    HB3  ARG  94           HB3      ARG  94  -9.127  11.583  -8.916
  733    HG2  ARG  94           HG2      ARG  94  -6.942  10.417  -8.256
  734    HG3  ARG  94           HG3      ARG  94  -6.157  11.393  -9.515
  735    HD2  ARG  94           HD2      ARG  94  -7.724  12.419  -7.116
  736    HD3  ARG  94           HD3      ARG  94  -5.965  12.493  -7.339
  737    HE   ARG  94           HE       ARG  94  -7.060  13.809  -9.550
  738   HH11  ARG  94          HH11      ARG  94  -7.160  14.172  -6.040
  739   HH12  ARG  94          HH12      ARG  94  -7.310  15.914  -6.105
  740   HH21  ARG  94          HH21      ARG  94  -7.333  16.086  -9.607
  741   HH22  ARG  94          HH22      ARG  94  -7.446  16.985  -8.111
  742    HA   PRO  95           HA       PRO  95 -12.541   9.204 -11.708
  743    HB2  PRO  95           HB2      PRO  95 -13.371  11.331  -9.715
  744    HB3  PRO  95           HB3      PRO  95 -14.316   9.935 -10.310
  745    HG2  PRO  95           HG2      PRO  95 -13.032   9.773  -7.941
  746    HG3  PRO  95           HG3      PRO  95 -12.908   8.403  -9.091
  747    HD2  PRO  95           HD2      PRO  95 -10.884  10.544  -8.508
  748    HD3  PRO  95           HD3      PRO  95 -10.634   8.809  -8.860
  749    HA   PRO  96           HA       PRO  96 -12.376  12.996 -14.277
  750    HB2  PRO  96           HB2      PRO  96 -13.313  11.857 -16.563
  751    HB3  PRO  96           HB3      PRO  96 -11.606  11.635 -16.037
  752    HG2  PRO  96           HG2      PRO  96 -13.957   9.761 -15.668
  753    HG3  PRO  96           HG3      PRO  96 -12.301   9.358 -16.231
  754    HD2  PRO  96           HD2      PRO  96 -13.146   9.033 -13.632
  755    HD3  PRO  96           HD3      PRO  96 -11.448   9.429 -14.047
  756    H    ASP  97           H        ASP  97 -14.745  10.539 -13.582
  757    HA   ASP  97           HA       ASP  97 -16.859  12.488 -13.157
  758    HB2  ASP  97           HB2      ASP  97 -17.106  11.880 -15.574
  759    HB3  ASP  97           HB3      ASP  97 -17.186  10.171 -15.109
  760    H    SER  98           H        SER  98 -18.729  11.272 -11.971
  761    HA   SER  98           HA       SER  98 -17.443   9.627 -10.004
  762    HB2  SER  98           HB2      SER  98 -20.407  10.152 -10.422
  763    HB3  SER  98           HB3      SER  98 -19.634   9.529  -8.948
  764    HG   SER  98           HG       SER  98 -18.474  11.477  -8.814
  765    H    HIS  99           H        HIS  99 -19.743   8.839 -12.701
  766    HA   HIS  99           HA       HIS  99 -18.897   6.091 -12.649
  767    HB2  HIS  99           HB2      HIS  99 -20.256   6.244 -10.526
  768    HB3  HIS  99           HB3      HIS  99 -21.667   6.641 -11.510
  769    HD2  HIS  99           HD2      HIS  99 -23.162   4.541 -11.450
  770    HE1  HIS  99           HE1      HIS  99 -20.248   1.538 -12.212
  771    HE2  HIS  99           HE2      HIS  99 -22.732   1.993 -11.863
  772    H    HIS 100           H        HIS 100 -19.679   8.466 -14.509
  773    HA   HIS 100           HA       HIS 100 -21.459   6.872 -16.282
  774    HB2  HIS 100           HB2      HIS 100 -22.684   8.668 -15.032
  775    HB3  HIS 100           HB3      HIS 100 -21.641   9.870 -15.808
  776    HD2  HIS 100           HD2      HIS 100 -23.761   6.855 -17.169
  777    HE1  HIS 100           HE1      HIS 100 -24.651  10.258 -19.559
  778    HE2  HIS 100           HE2      HIS 100 -25.140   7.787 -19.198
  779    H    SER 101           H        SER 101 -18.417   7.989 -15.996
  780    HA   SER 101           HA       SER 101 -18.062   7.951 -18.913
  781    HB2  SER 101           HB2      SER 101 -18.401  10.369 -18.344
  782    HB3  SER 101           HB3      SER 101 -17.016  10.269 -17.237
  783    HG   SER 101           HG       SER 101 -16.442  11.004 -19.343
  784    H5'    U 102           H5'        U 102 -12.224  -5.184 -12.758
  785   H5''    U 102          H5''        U 102 -13.694  -4.204 -12.605
  786    H4'    U 102           H4'        U 102 -11.054  -3.555 -11.208
  787    H3'    U 102           H3'        U 102 -12.588  -5.720 -10.523
  788    H2'    U 102           H2'        U 102 -14.657  -4.534 -10.544
  789   HO2'    U 102          HO2'        U 102 -14.410  -5.579  -8.485
  790    H1'    U 102           H1'        U 102 -13.321  -2.354  -8.943
  791    H3     U 102           H3         U 102 -16.907  -0.477 -12.293
  792    H5     U 102           H5         U 102 -17.752  -1.278  -8.261
  793    H6     U 102           H6         U 102 -15.577  -2.403  -8.111
  794   HO5'    U 102          HO5'        U 102 -12.542  -2.458 -13.476
  795    H5'    G 103           H5'        G 103  -8.822  -2.995  -7.344
  796   H5''    G 103          H5''        G 103 -10.508  -2.535  -7.634
  797    H4'    G 103           H4'        G 103  -9.118  -0.555  -7.509
  798    H3'    G 103           H3'        G 103 -10.441  -1.201 -10.115
  799    H2'    G 103           H2'        G 103  -8.867  -0.123 -11.293
  800   HO2'    G 103          HO2'        G 103 -10.170   1.771 -10.708
  801    H1'    G 103           H1'        G 103  -7.646   0.953  -8.778
  802    H8     G 103           H8         G 103  -5.989   2.352 -10.135
  803    H1     G 103           H1         G 103  -3.959  -2.800 -13.391
  804    H21    G 103           H21        G 103  -5.334  -4.522 -12.986
  805    H22    G 103           H22        G 103  -6.708  -4.353 -11.918
  806    H5'    G 104           H5'        G 104 -11.061   3.792  -9.661
  807   H5''    G 104          H5''        G 104 -10.199   2.844  -8.421
  808    H4'    G 104           H4'        G 104 -12.251   4.145  -7.015
  809    H3'    G 104           H3'        G 104 -10.785   6.044  -8.865
  810    H2'    G 104           H2'        G 104 -11.296   7.701  -7.206
  811   HO2'    G 104          HO2'        G 104 -13.410   6.855  -6.593
  812    H1'    G 104           H1'        G 104 -10.374   6.054  -5.253
  813    H8     G 104           H8         G 104  -9.049   8.378  -5.408
  814    H1     G 104           H1         G 104  -5.724   6.075 -10.390
  815    H21    G 104           H21        G 104  -6.663   4.204 -11.107
  816    H22    G 104           H22        G 104  -8.106   3.544 -10.348
  817    H5'    A 105           H5'        A 105 -16.442   7.405  -8.978
  818   H5''    A 105          H5''        A 105 -14.955   8.242  -9.414
  819    H4'    A 105           H4'        A 105 -15.595   9.989  -8.170
  820    H3'    A 105           H3'        A 105 -14.673   8.406  -6.131
  821    H2'    A 105           H2'        A 105 -16.507   7.217  -5.417
  822   HO2'    A 105          HO2'        A 105 -17.419   9.768  -4.595
  823    H1'    A 105           H1'        A 105 -18.761   8.828  -6.222
  824    H8     A 105           H8         A 105 -16.518   5.877  -6.935
  825    H61    A 105           H61        A 105 -21.645   2.901  -8.763
  826    H62    A 105           H62        A 105 -19.931   2.716  -8.455
  827    H2     A 105           H2         A 105 -22.681   7.134  -7.984
  828    H5'    G 106           H5'        G 106 -16.199  11.006  -3.151
  829   H5''    G 106          H5''        G 106 -17.547  12.143  -3.339
  830    H4'    G 106           H4'        G 106 -16.444  12.591  -1.279
  831    H3'    G 106           H3'        G 106 -16.875  14.702  -3.050
  832    H2'    G 106           H2'        G 106 -14.835  14.800  -4.111
  833   HO2'    G 106          HO2'        G 106 -14.365  15.956  -1.559
  834    H1'    G 106           H1'        G 106 -13.090  14.095  -1.880
  835    H8     G 106           H8         G 106 -14.003  13.566  -5.535
  836    H1     G 106           H1         G 106  -8.581  10.727  -3.593
  837    H21    G 106           H21        G 106  -8.453  10.846  -1.356
  838    H22    G 106           H22        G 106  -9.637  11.731  -0.421
  839    H5'    U 107           H5'        U 107 -17.602  17.680  -0.820
  840   H5''    U 107          H5''        U 107 -19.370  17.726  -0.809
  841    H4'    U 107           H4'        U 107 -19.432  17.808  -3.263
  842    H3'    U 107           H3'        U 107 -17.152  16.387  -3.494
  843   HO3'    U 107          HO3'        U 107 -17.715  18.745  -5.001
  844    H2'    U 107           H2'        U 107 -15.989  17.772  -1.966
  845   HO2'    U 107          HO2'        U 107 -14.576  17.424  -3.636
  846    H1'    U 107           H1'        U 107 -16.680  20.001  -3.824
  847    H3     U 107           H3         U 107 -16.398  23.528  -0.705
  848    H5     U 107           H5         U 107 -14.010  20.370   0.713
  849    H6     U 107           H6         U 107 -14.990  18.946  -0.985
  Start of MODEL   16
    1    H    MET   1           H1       MET   1 -14.305  19.765   6.190
    2    HA   MET   1           HA       MET   1 -15.795  17.962   5.735
    3    HB2  MET   1           HB2      MET   1 -15.623  19.002   2.877
    4    HB3  MET   1           HB3      MET   1 -16.341  17.455   3.362
    5    HG2  MET   1           HG2      MET   1 -17.957  18.643   4.794
    6    HG3  MET   1           HG3      MET   1 -17.277  20.198   4.296
    7    HE1  MET   1           HE1      MET   1 -20.343  19.513   4.197
    8    HE2  MET   1           HE2      MET   1 -19.661  21.070   3.676
    9    HE3  MET   1           HE3      MET   1 -20.797  20.194   2.616
   10    H    SER   2           H        SER   2 -14.404  16.364   6.194
   11    HA   SER   2           HA       SER   2 -11.697  16.269   5.330
   12    HB2  SER   2           HB2      SER   2 -11.754  13.976   6.239
   13    HB3  SER   2           HB3      SER   2 -12.511  15.147   7.339
   14    HG   SER   2           HG       SER   2 -13.768  13.254   7.073
   15    H    TYR   3           H        TYR   3 -10.634  15.040   3.808
   16    HA   TYR   3           HA       TYR   3 -10.272  14.404   1.671
   17    HB2  TYR   3           HB2      TYR   3 -12.578  12.525   2.250
   18    HB3  TYR   3           HB3      TYR   3 -11.300  12.299   1.045
   19    HD1  TYR   3           HD2      TYR   3 -12.043  12.502   4.662
   20    HD2  TYR   3           HD1      TYR   3  -9.129  11.463   1.690
   21    HE1  TYR   3           HE2      TYR   3 -10.673  11.345   6.409
   22    HE2  TYR   3           HE1      TYR   3  -7.761  10.299   3.411
   23    HH   TYR   3           HH       TYR   3  -7.578   9.734   5.627
   24    H    GLY   4           H        GLY   4 -12.340  16.588   2.038
   25    HA2  GLY   4           HA2      GLY   4 -14.189  16.230  -0.187
   26    HA3  GLY   4           HA3      GLY   4 -14.037  17.651   0.852
   27    H    ARG   5           H        ARG   5 -12.577  15.781  -1.684
   28    HA   ARG   5           HA       ARG   5 -11.258  16.197  -3.465
   29    HB2  ARG   5           HB2      ARG   5 -12.031  18.082  -4.899
   30    HB3  ARG   5           HB3      ARG   5 -13.234  16.904  -4.373
   31    HG2  ARG   5           HG2      ARG   5 -13.991  18.399  -2.605
   32    HG3  ARG   5           HG3      ARG   5 -12.791  19.640  -3.083
   33    HD2  ARG   5           HD2      ARG   5 -14.779  18.416  -4.995
   34    HD3  ARG   5           HD3      ARG   5 -15.225  19.786  -3.931
   35    HE   ARG   5           HE       ARG   5 -12.794  20.207  -5.520
   36   HH11  ARG   5          HH11      ARG   5 -16.311  20.531  -5.443
   37   HH12  ARG   5          HH12      ARG   5 -16.342  21.772  -6.680
   38   HH21  ARG   5          HH21      ARG   5 -12.866  21.831  -7.132
   39   HH22  ARG   5          HH22      ARG   5 -14.401  22.523  -7.607
   40    HA   PRO   6           HA       PRO   6  -8.566  19.547  -1.446
   41    HB2  PRO   6           HB2      PRO   6  -6.663  18.039  -0.190
   42    HB3  PRO   6           HB3      PRO   6  -8.227  18.456   0.588
   43    HG2  PRO   6           HG2      PRO   6  -7.505  15.906  -0.901
   44    HG3  PRO   6           HG3      PRO   6  -8.232  16.054   0.732
   45    HD2  PRO   6           HD2      PRO   6  -9.781  15.645  -1.472
   46    HD3  PRO   6           HD3      PRO   6 -10.311  16.738  -0.157
   47    HA   PRO   7           HA       PRO   7  -5.895  18.965  -4.946
   48    HB2  PRO   7           HB2      PRO   7  -3.880  20.735  -4.441
   49    HB3  PRO   7           HB3      PRO   7  -5.567  21.253  -4.790
   50    HG2  PRO   7           HG2      PRO   7  -4.244  20.935  -2.083
   51    HG3  PRO   7           HG3      PRO   7  -5.197  22.333  -2.681
   52    HD2  PRO   7           HD2      PRO   7  -6.301  20.356  -1.134
   53    HD3  PRO   7           HD3      PRO   7  -7.228  21.163  -2.439
   54    HA   PRO   8           HA       PRO   8  -2.949  16.002  -3.209
   55    HB2  PRO   8           HB2      PRO   8  -2.794  14.363  -5.343
   56    HB3  PRO   8           HB3      PRO   8  -4.320  14.482  -4.406
   57    HG2  PRO   8           HG2      PRO   8  -3.602  15.963  -6.961
   58    HG3  PRO   8           HG3      PRO   8  -5.074  14.980  -6.631
   59    HD2  PRO   8           HD2      PRO   8  -4.987  17.704  -6.310
   60    HD3  PRO   8           HD3      PRO   8  -5.976  16.655  -5.251
   61    H    ASP   9           H        ASP   9  -0.933  14.928  -4.599
   62    HA   ASP   9           HA       ASP   9   0.450  17.099  -6.068
   63    HB2  ASP   9           HB2      ASP   9   2.482  16.696  -4.863
   64    HB3  ASP   9           HB3      ASP   9   1.202  17.006  -3.693
   65    H    VAL  10           H        VAL  10  -1.037  14.549  -6.736
   66    HA   VAL  10           HA       VAL  10   0.646  12.452  -7.563
   67    HB   VAL  10           HB       VAL  10  -1.238  11.901  -9.105
   68   HG11  VAL  10          HG11      VAL  10  -1.340  11.159  -6.806
   69   HG12  VAL  10          HG12      VAL  10  -1.992  12.731  -6.279
   70   HG13  VAL  10          HG13      VAL  10  -2.962  11.672  -7.328
   71   HG21  VAL  10          HG21      VAL  10  -1.897  14.204  -9.751
   72   HG22  VAL  10          HG22      VAL  10  -3.270  13.314  -9.064
   73   HG23  VAL  10          HG23      VAL  10  -2.431  14.524  -8.085
   74    H    GLU  11           H        GLU  11   0.525  15.640  -8.794
   75    HA   GLU  11           HA       GLU  11   1.023  15.152 -11.560
   76    HB2  GLU  11           HB2      GLU  11   1.685  17.532 -11.566
   77    HB3  GLU  11           HB3      GLU  11   0.156  17.255 -10.705
   78    HG2  GLU  11           HG2      GLU  11   1.322  17.332  -8.540
   79    HG3  GLU  11           HG3      GLU  11   2.874  17.558  -9.363
   80    H    GLY  12           H        GLY  12   2.973  14.192  -9.017
   81    HA2  GLY  12           HA2      GLY  12   5.295  13.950 -10.708
   82    HA3  GLY  12           HA3      GLY  12   5.506  15.235  -9.516
   83    H    MET  13           H        MET  13   3.640  12.224  -8.833
   84    HA   MET  13           HA       MET  13   5.998  11.164  -7.410
   85    HB2  MET  13           HB2      MET  13   4.807  10.896  -5.298
   86    HB3  MET  13           HB3      MET  13   4.999  12.580  -5.773
   87    HG2  MET  13           HG2      MET  13   2.847  12.439  -4.915
   88    HG3  MET  13           HG3      MET  13   2.616  12.519  -6.658
   89    HE1  MET  13           HE1      MET  13  -0.166  10.268  -4.665
   90    HE2  MET  13           HE2      MET  13   0.946  11.375  -3.828
   91    HE3  MET  13           HE3      MET  13   0.145  11.892  -5.334
   92    H    THR  14           H        THR  14   5.478   9.024  -6.332
   93    HA   THR  14           HA       THR  14   5.250   7.293  -8.517
   94    HB   THR  14           HB       THR  14   5.442   6.888  -5.519
   95   HG21  THR  14          HG21      THR  14   4.400   4.845  -6.415
   96   HG22  THR  14          HG22      THR  14   5.612   4.793  -7.723
   97   HG23  THR  14          HG23      THR  14   6.103   4.554  -6.028
   98    H    SER  15           H        SER  15   2.655   8.226  -6.295
   99    HA   SER  15           HA       SER  15   0.557   7.378  -5.986
  100    HB2  SER  15           HB2      SER  15   0.814   7.359  -9.003
  101    HB3  SER  15           HB3      SER  15  -0.716   7.116  -8.134
  102    HG   SER  15           HG       SER  15   0.992   9.372  -7.939
  103    H    LEU  16           H        LEU  16   1.946   5.332  -5.108
  104    HA   LEU  16           HA       LEU  16   1.437   2.825  -6.476
  105    HB2  LEU  16           HB2      LEU  16   2.934   3.245  -4.413
  106    HB3  LEU  16           HB3      LEU  16   1.414   3.318  -3.486
  107    HG   LEU  16           HG       LEU  16   0.893   0.965  -4.267
  108   HD11  LEU  16          HD11      LEU  16   3.836   0.995  -5.049
  109   HD12  LEU  16          HD12      LEU  16   2.740  -0.407  -5.063
  110   HD13  LEU  16          HD13      LEU  16   2.482   0.927  -6.205
  111   HD21  LEU  16          HD21      LEU  16   3.368   1.503  -2.614
  112   HD22  LEU  16          HD22      LEU  16   1.691   1.402  -2.038
  113   HD23  LEU  16          HD23      LEU  16   2.498  -0.051  -2.660
  114    H    LYS  17           H        LYS  17  -0.316   1.221  -5.714
  115    HA   LYS  17           HA       LYS  17  -2.473   2.548  -4.217
  116    HB2  LYS  17           HB2      LYS  17  -4.218   1.656  -5.579
  117    HB3  LYS  17           HB3      LYS  17  -3.143   2.602  -6.612
  118    HG2  LYS  17           HG2      LYS  17  -2.359   0.702  -7.740
  119    HG3  LYS  17           HG3      LYS  17  -2.650  -0.369  -6.352
  120    HD2  LYS  17           HD2      LYS  17  -5.106  -0.049  -6.654
  121    HD3  LYS  17           HD3      LYS  17  -4.777   0.815  -8.172
  122    HE2  LYS  17           HE2      LYS  17  -3.793  -1.146  -9.155
  123    HE3  LYS  17           HE3      LYS  17  -3.687  -1.962  -7.586
  124    HZ1  LYS  17           HZ1      LYS  17  -6.218  -1.283  -8.924
  125    HZ2  LYS  17           HZ2      LYS  17  -5.532  -2.781  -8.885
  126    HZ3  LYS  17           HZ3      LYS  17  -6.044  -2.070  -7.495
  127    H    VAL  18           H        VAL  18  -3.906   1.156  -3.096
  128    HA   VAL  18           HA       VAL  18  -2.963  -1.675  -2.736
  129    HB   VAL  18           HB       VAL  18  -3.898   0.246  -0.573
  130   HG11  VAL  18          HG11      VAL  18  -3.338  -2.727  -0.537
  131   HG12  VAL  18          HG12      VAL  18  -3.268  -1.725   0.924
  132   HG13  VAL  18          HG13      VAL  18  -4.787  -1.864   0.007
  133   HG21  VAL  18          HG21      VAL  18  -1.504   0.560  -1.285
  134   HG22  VAL  18          HG22      VAL  18  -1.683  -0.006   0.389
  135   HG23  VAL  18          HG23      VAL  18  -1.210  -1.148  -0.884
  136    H    ASP  19           H        ASP  19  -4.600  -3.179  -2.415
  137    HA   ASP  19           HA       ASP  19  -7.419  -2.320  -2.192
  138    HB2  ASP  19           HB2      ASP  19  -6.394  -4.236  -4.328
  139    HB3  ASP  19           HB3      ASP  19  -8.069  -3.741  -4.072
  140    H    ASN  20           H        ASN  20  -8.746  -4.568  -2.234
  141    HA   ASN  20           HA       ASN  20  -8.976  -6.795  -1.855
  142    HB2  ASN  20           HB2      ASN  20  -6.313  -6.809  -2.157
  143    HB3  ASN  20           HB3      ASN  20  -6.371  -7.170  -0.423
  144   HD21  ASN  20          HD22      ASN  20  -5.549  -9.270  -0.767
  145   HD22  ASN  20          HD21      ASN  20  -6.445 -10.503  -1.639
  146    H    LEU  21           H        LEU  21  -9.544  -4.507  -0.015
  147    HA   LEU  21           HA       LEU  21  -9.093  -5.166   2.682
  148    HB2  LEU  21           HB2      LEU  21 -11.373  -3.725   1.273
  149    HB3  LEU  21           HB3      LEU  21 -11.253  -3.823   3.015
  150    HG   LEU  21           HG       LEU  21 -10.396  -1.721   1.735
  151   HD11  LEU  21          HD11      LEU  21  -8.731  -3.000   3.917
  152   HD12  LEU  21          HD12      LEU  21  -8.869  -1.256   3.552
  153   HD13  LEU  21          HD13      LEU  21 -10.276  -2.136   4.161
  154   HD21  LEU  21          HD21      LEU  21  -8.769  -2.841   0.221
  155   HD22  LEU  21          HD22      LEU  21  -7.955  -1.721   1.325
  156   HD23  LEU  21          HD23      LEU  21  -7.882  -3.460   1.637
  157    H    THR  22           H        THR  22  -9.884  -6.715   3.974
  158    HA   THR  22           HA       THR  22 -11.913  -8.544   2.953
  159    HB   THR  22           HB       THR  22 -10.567  -8.431   5.688
  160   HG21  THR  22          HG21      THR  22 -10.878 -10.945   5.499
  161   HG22  THR  22          HG22      THR  22 -12.379 -10.016   5.707
  162   HG23  THR  22          HG23      THR  22 -11.921 -10.641   4.093
  163    H    TYR  23           H        TYR  23 -13.740  -9.138   4.614
  164    HA   TYR  23           HA       TYR  23 -15.458  -6.899   4.883
  165    HB2  TYR  23           HB2      TYR  23 -16.986  -8.499   5.881
  166    HB3  TYR  23           HB3      TYR  23 -16.167  -9.237   4.504
  167    HD1  TYR  23           HD2      TYR  23 -14.508 -11.009   4.813
  168    HD2  TYR  23           HD1      TYR  23 -16.579  -9.282   8.163
  169    HE1  TYR  23           HE2      TYR  23 -13.761 -12.891   6.237
  170    HE2  TYR  23           HE1      TYR  23 -15.834 -11.163   9.597
  171    HH   TYR  23           HH       TYR  23 -14.662 -13.112   9.706
  172    H    ARG  24           H        ARG  24 -12.801  -7.155   6.654
  173    HA   ARG  24           HA       ARG  24 -14.039  -6.211   9.181
  174    HB2  ARG  24           HB2      ARG  24 -12.420  -7.616  10.421
  175    HB3  ARG  24           HB3      ARG  24 -13.488  -8.584   9.394
  176    HG2  ARG  24           HG2      ARG  24 -11.622  -8.471   7.601
  177    HG3  ARG  24           HG3      ARG  24 -10.570  -7.849   8.888
  178    HD2  ARG  24           HD2      ARG  24 -11.027  -9.859  10.233
  179    HD3  ARG  24           HD3      ARG  24 -12.180 -10.419   8.991
  180    HE   ARG  24           HE       ARG  24  -9.315 -10.006   8.290
  181   HH11  ARG  24          HH11      ARG  24 -12.076 -12.197   8.687
  182   HH12  ARG  24          HH12      ARG  24 -11.289 -13.498   7.815
  183   HH21  ARG  24          HH21      ARG  24  -8.356 -11.771   7.125
  184   HH22  ARG  24          HH22      ARG  24  -9.258 -13.259   6.971
  185    H    THR  25           H        THR  25 -12.578  -5.004   6.759
  186    HA   THR  25           HA       THR  25 -10.478  -3.563   8.322
  187    HB   THR  25           HB       THR  25 -10.245  -4.114   5.353
  188   HG21  THR  25          HG21      THR  25  -8.268  -3.524   7.613
  189   HG22  THR  25          HG22      THR  25  -7.815  -3.857   5.924
  190   HG23  THR  25          HG23      THR  25  -8.735  -2.397   6.322
  191    H    SER  26           H        SER  26  -9.929  -1.391   7.300
  192    HA   SER  26           HA       SER  26 -12.197  -0.063   5.951
  193    HB2  SER  26           HB2      SER  26 -12.534   1.494   7.797
  194    HB3  SER  26           HB3      SER  26 -12.706  -0.154   8.418
  195    HG   SER  26           HG       SER  26 -11.364   1.125   9.748
  196    HA   PRO  27           HA       PRO  27  -8.912   2.474   4.372
  197    HB2  PRO  27           HB2      PRO  27  -9.940   4.985   4.259
  198    HB3  PRO  27           HB3      PRO  27 -10.494   3.645   3.202
  199    HG2  PRO  27           HG2      PRO  27 -11.772   4.684   5.734
  200    HG3  PRO  27           HG3      PRO  27 -12.561   4.283   4.172
  201    HD2  PRO  27           HD2      PRO  27 -12.550   2.563   6.277
  202    HD3  PRO  27           HD3      PRO  27 -12.451   1.968   4.603
  203    H    ASP  28           H        ASP  28 -10.358   3.511   7.472
  204    HA   ASP  28           HA       ASP  28  -8.209   5.321   8.137
  205    HB2  ASP  28           HB2      ASP  28 -10.447   5.290   9.242
  206    HB3  ASP  28           HB3      ASP  28 -10.014   3.731   9.990
  207    H    THR  29           H        THR  29  -8.793   1.808   8.587
  208    HA   THR  29           HA       THR  29  -6.417   1.406  10.177
  209    HB   THR  29           HB       THR  29  -8.107  -0.521   8.533
  210   HG21  THR  29          HG21      THR  29  -5.859  -1.426   8.840
  211   HG22  THR  29          HG22      THR  29  -5.875  -0.988  10.559
  212   HG23  THR  29          HG23      THR  29  -6.973  -2.252   9.955
  213    H    LEU  30           H        LEU  30  -7.274   1.083   6.685
  214    HA   LEU  30           HA       LEU  30  -4.790   0.071   5.820
  215    HB2  LEU  30           HB2      LEU  30  -7.239   1.103   4.728
  216    HB3  LEU  30           HB3      LEU  30  -5.916   1.882   3.862
  217    HG   LEU  30           HG       LEU  30  -6.754  -0.204   2.787
  218   HD11  LEU  30          HD11      LEU  30  -3.894  -0.299   3.805
  219   HD12  LEU  30          HD12      LEU  30  -4.548  -1.318   2.498
  220   HD13  LEU  30          HD13      LEU  30  -4.471   0.446   2.300
  221   HD21  LEU  30          HD21      LEU  30  -7.234  -1.375   4.984
  222   HD22  LEU  30          HD22      LEU  30  -6.391  -2.361   3.760
  223   HD23  LEU  30          HD23      LEU  30  -5.486  -1.680   5.129
  224    H    ARG  31           H        ARG  31  -5.607   3.250   6.976
  225    HA   ARG  31           HA       ARG  31  -3.345   4.548   5.639
  226    HB2  ARG  31           HB2      ARG  31  -5.703   5.490   6.524
  227    HB3  ARG  31           HB3      ARG  31  -4.779   5.748   8.001
  228    HG2  ARG  31           HG2      ARG  31  -4.142   6.825   5.215
  229    HG3  ARG  31           HG3      ARG  31  -4.783   7.756   6.576
  230    HD2  ARG  31           HD2      ARG  31  -2.698   7.396   7.831
  231    HD3  ARG  31           HD3      ARG  31  -2.071   6.383   6.517
  232    HE   ARG  31           HE       ARG  31  -1.683   8.245   5.189
  233   HH11  ARG  31          HH11      ARG  31  -3.357   9.222   8.141
  234   HH12  ARG  31          HH12      ARG  31  -3.059  10.926   7.879
  235   HH21  ARG  31          HH21      ARG  31  -1.326  10.438   4.863
  236   HH22  ARG  31          HH22      ARG  31  -1.896  11.617   6.022
  237    H    ARG  32           H        ARG  32  -4.274   3.718   9.031
  238    HA   ARG  32           HA       ARG  32  -1.734   4.471  10.107
  239    HB2  ARG  32           HB2      ARG  32  -2.605   3.695  12.189
  240    HB3  ARG  32           HB3      ARG  32  -3.914   4.473  11.284
  241    HG2  ARG  32           HG2      ARG  32  -4.993   2.635  12.121
  242    HG3  ARG  32           HG3      ARG  32  -4.550   2.095  10.500
  243    HD2  ARG  32           HD2      ARG  32  -4.143   0.331  12.128
  244    HD3  ARG  32           HD3      ARG  32  -2.588   0.879  11.488
  245    HE   ARG  32           HE       ARG  32  -3.273   2.332  13.878
  246   HH11  ARG  32          HH11      ARG  32  -2.112  -0.825  12.774
  247   HH12  ARG  32          HH12      ARG  32  -1.264  -1.160  14.265
  248   HH21  ARG  32          HH21      ARG  32  -2.163   1.873  15.794
  249   HH22  ARG  32          HH22      ARG  32  -1.294   0.366  15.977
  250    H    VAL  33           H        VAL  33  -2.622   1.772   8.284
  251    HA   VAL  33           HA       VAL  33  -0.596  -0.021   9.511
  252    HB   VAL  33           HB       VAL  33  -2.781  -0.385   7.436
  253   HG11  VAL  33          HG11      VAL  33  -0.752  -2.417   8.440
  254   HG12  VAL  33          HG12      VAL  33  -2.218  -2.800   7.500
  255   HG13  VAL  33          HG13      VAL  33  -0.943  -1.818   6.767
  256   HG21  VAL  33          HG21      VAL  33  -3.465  -0.261   9.838
  257   HG22  VAL  33          HG22      VAL  33  -3.745  -1.863   9.130
  258   HG23  VAL  33          HG23      VAL  33  -2.347  -1.596  10.206
  259    H    PHE  34           H        PHE  34  -1.226   1.846   6.510
  260    HA   PHE  34           HA       PHE  34   1.290   0.757   5.362
  261    HB2  PHE  34           HB2      PHE  34  -1.184   2.055   4.284
  262    HB3  PHE  34           HB3      PHE  34   0.298   2.210   3.379
  263    HD1  PHE  34           HD1      PHE  34  -2.049  -0.294   4.843
  264    HD2  PHE  34           HD2      PHE  34   1.181   0.382   2.085
  265    HE1  PHE  34           HE1      PHE  34  -2.381  -2.558   3.886
  266    HE2  PHE  34           HE2      PHE  34   0.851  -1.869   1.138
  267    HZ   PHE  34           HZ       PHE  34  -0.920  -3.353   2.038
  268    H    GLU  35           H        GLU  35   0.227   3.498   7.155
  269    HA   GLU  35           HA       GLU  35   1.973   5.445   5.937
  270    HB2  GLU  35           HB2      GLU  35   0.013   6.025   7.255
  271    HB3  GLU  35           HB3      GLU  35   0.699   5.263   8.691
  272    HG2  GLU  35           HG2      GLU  35   2.040   7.567   7.228
  273    HG3  GLU  35           HG3      GLU  35   0.798   7.822   8.464
  274    H    LYS  36           H        LYS  36   2.456   2.828   8.278
  275    HA   LYS  36           HA       LYS  36   4.762   3.974   9.540
  276    HB2  LYS  36           HB2      LYS  36   5.069   1.789  10.509
  277    HB3  LYS  36           HB3      LYS  36   3.353   2.225  10.555
  278    HG2  LYS  36           HG2      LYS  36   3.028   0.819   8.471
  279    HG3  LYS  36           HG3      LYS  36   4.724   0.297   8.639
  280    HD2  LYS  36           HD2      LYS  36   4.195  -0.516  10.957
  281    HD3  LYS  36           HD3      LYS  36   2.503  -0.047  10.699
  282    HE2  LYS  36           HE2      LYS  36   2.690  -2.406  10.297
  283    HE3  LYS  36           HE3      LYS  36   2.421  -1.606   8.740
  284    HZ1  LYS  36           HZ1      LYS  36   4.162  -3.254   8.607
  285    HZ2  LYS  36           HZ2      LYS  36   4.800  -1.762   8.347
  286    HZ3  LYS  36           HZ3      LYS  36   5.022  -2.511   9.794
  287    H    TYR  37           H        TYR  37   4.332   2.255   6.536
  288    HA   TYR  37           HA       TYR  37   7.094   1.437   6.230
  289    HB2  TYR  37           HB2      TYR  37   4.849   1.834   4.235
  290    HB3  TYR  37           HB3      TYR  37   6.434   1.158   3.833
  291    HD1  TYR  37           HD2      TYR  37   3.359   0.596   5.857
  292    HD2  TYR  37           HD1      TYR  37   7.006  -1.098   4.328
  293    HE1  TYR  37           HE2      TYR  37   2.615  -1.642   6.589
  294    HE2  TYR  37           HE1      TYR  37   6.266  -3.350   5.058
  295    HH   TYR  37           HH       TYR  37   4.633  -4.573   6.091
  296    H    GLY  38           H        GLY  38   5.420   4.475   5.905
  297    HA2  GLY  38           HA2      GLY  38   7.742   6.010   5.792
  298    HA3  GLY  38           HA3      GLY  38   7.279   5.747   4.099
  299    H    ARG  39           H        ARG  39   5.052   6.349   3.449
  300    HA   ARG  39           HA       ARG  39   3.321   7.780   5.249
  301    HB2  ARG  39           HB2      ARG  39   3.393   9.930   3.918
  302    HB3  ARG  39           HB3      ARG  39   4.754   9.640   5.014
  303    HG2  ARG  39           HG2      ARG  39   6.183   8.977   3.167
  304    HG3  ARG  39           HG3      ARG  39   4.822   9.078   2.027
  305    HD2  ARG  39           HD2      ARG  39   6.153  11.111   1.851
  306    HD3  ARG  39           HD3      ARG  39   4.597  11.509   2.581
  307    HE   ARG  39           HE       ARG  39   5.657  12.050   4.579
  308   HH11  ARG  39          HH11      ARG  39   7.939  10.408   2.424
  309   HH12  ARG  39          HH12      ARG  39   9.327  10.784   3.411
  310   HH21  ARG  39          HH21      ARG  39   7.500  12.509   5.860
  311   HH22  ARG  39          HH22      ARG  39   9.080  11.970   5.349
  312    H    VAL  40           H        VAL  40   1.384   8.503   4.225
  313    HA   VAL  40           HA       VAL  40   0.780   7.204   1.603
  314    HB   VAL  40           HB       VAL  40  -0.782   7.033   4.215
  315   HG11  VAL  40          HG11      VAL  40  -2.377   7.477   2.420
  316   HG12  VAL  40          HG12      VAL  40  -1.628   6.213   1.406
  317   HG13  VAL  40          HG13      VAL  40  -2.482   5.784   2.904
  318   HG21  VAL  40          HG21      VAL  40  -0.592   4.596   3.822
  319   HG22  VAL  40          HG22      VAL  40   0.348   4.906   2.345
  320   HG23  VAL  40          HG23      VAL  40   1.017   5.349   3.929
  321    H    GLY  41           H        GLY  41  -0.191   8.608   0.251
  322    HA2  GLY  41           HA2      GLY  41  -0.674  11.330   1.171
  323    HA3  GLY  41           HA3      GLY  41  -0.841  10.693  -0.485
  324    H    ASP  42           H        ASP  42  -2.616   8.443   0.404
  325    HA   ASP  42           HA       ASP  42  -4.944   9.653   1.626
  326    HB2  ASP  42           HB2      ASP  42  -4.901  10.787  -0.630
  327    HB3  ASP  42           HB3      ASP  42  -4.926   9.194  -1.396
  328    H    VAL  43           H        VAL  43  -6.719   8.340   1.797
  329    HA   VAL  43           HA       VAL  43  -6.579   5.567   0.765
  330    HB   VAL  43           HB       VAL  43  -7.693   4.834   2.807
  331   HG11  VAL  43          HG11      VAL  43  -5.258   4.571   2.663
  332   HG12  VAL  43          HG12      VAL  43  -5.030   6.174   3.403
  333   HG13  VAL  43          HG13      VAL  43  -5.779   4.832   4.330
  334   HG21  VAL  43          HG21      VAL  43  -7.102   7.600   3.922
  335   HG22  VAL  43          HG22      VAL  43  -8.712   6.918   3.569
  336   HG23  VAL  43          HG23      VAL  43  -7.719   6.207   4.842
  337    H    TYR  44           H        TYR  44  -8.623   4.874  -0.043
  338    HA   TYR  44           HA       TYR  44 -10.938   6.601   0.415
  339    HB2  TYR  44           HB2      TYR  44  -9.470   7.751  -1.260
  340    HB3  TYR  44           HB3      TYR  44  -9.578   6.323  -2.286
  341    HD1  TYR  44           HD1      TYR  44 -12.431   7.786  -0.365
  342    HD2  TYR  44           HD2      TYR  44 -10.459   7.372  -4.141
  343    HE1  TYR  44           HE1      TYR  44 -14.448   8.707  -1.496
  344    HE2  TYR  44           HE2      TYR  44 -12.465   8.308  -5.307
  345    HH   TYR  44           HH       TYR  44 -14.590   9.085  -5.053
  346    H    ILE  45           H        ILE  45 -12.861   5.701  -0.256
  347    HA   ILE  45           HA       ILE  45 -12.812   3.012  -1.516
  348    HB   ILE  45           HB       ILE  45 -14.374   3.788   0.984
  349   HG12  ILE  45          HG12      ILE  45 -11.909   2.124   0.470
  350   HG13  ILE  45          HG13      ILE  45 -12.141   3.410   1.662
  351   HG21  ILE  45          HG21      ILE  45 -14.239   1.127  -0.493
  352   HG22  ILE  45          HG22      ILE  45 -15.180   1.492   0.970
  353   HG23  ILE  45          HG23      ILE  45 -15.609   2.263  -0.560
  354   HD11  ILE  45          HD11      ILE  45 -13.337   0.601   1.715
  355   HD12  ILE  45          HD12      ILE  45 -12.090   1.257   2.786
  356   HD13  ILE  45          HD13      ILE  45 -13.752   1.898   2.872
  357    HA   PRO  46           HA       PRO  46 -15.874   4.990  -4.084
  358    HB2  PRO  46           HB2      PRO  46 -16.877   2.147  -4.226
  359    HB3  PRO  46           HB3      PRO  46 -16.654   3.321  -5.559
  360    HG2  PRO  46           HG2      PRO  46 -14.820   1.373  -5.161
  361    HG3  PRO  46           HG3      PRO  46 -14.274   3.059  -5.487
  362    HD2  PRO  46           HD2      PRO  46 -14.448   1.635  -2.829
  363    HD3  PRO  46           HD3      PRO  46 -13.157   2.702  -3.470
  364    H    ARG  47           H        ARG  47 -18.167   5.406  -4.076
  365    HA   ARG  47           HA       ARG  47 -19.703   4.366  -1.765
  366    HB2  ARG  47           HB2      ARG  47 -18.468   6.527  -1.198
  367    HB3  ARG  47           HB3      ARG  47 -19.470   7.330  -2.415
  368    HG2  ARG  47           HG2      ARG  47 -21.508   6.704  -1.154
  369    HG3  ARG  47           HG3      ARG  47 -20.506   5.825   0.027
  370    HD2  ARG  47           HD2      ARG  47 -21.072   8.019   0.917
  371    HD3  ARG  47           HD3      ARG  47 -19.330   7.950   0.563
  372    HE   ARG  47           HE       ARG  47 -21.116   9.071  -1.517
  373   HH11  ARG  47          HH11      ARG  47 -18.801   9.669   1.079
  374   HH12  ARG  47          HH12      ARG  47 -18.444  11.297   0.539
  375   HH21  ARG  47          HH21      ARG  47 -20.646  11.208  -2.183
  376   HH22  ARG  47          HH22      ARG  47 -19.489  12.163  -1.292
  377    H    ASP  48           H        ASP  48 -19.490   4.450  -4.911
  378    HA   ASP  48           HA       ASP  48 -20.731   4.828  -6.739
  379    HB2  ASP  48           HB2      ASP  48 -22.677   3.496  -4.859
  380    HB3  ASP  48           HB3      ASP  48 -22.976   3.698  -6.602
  381    H    ARG  49           H        ARG  49 -20.771   6.998  -4.733
  382    HA   ARG  49           HA       ARG  49 -21.747   8.842  -4.105
  383    HB2  ARG  49           HB2      ARG  49 -21.669  10.459  -5.812
  384    HB3  ARG  49           HB3      ARG  49 -20.494   9.180  -6.201
  385    HG2  ARG  49           HG2      ARG  49 -22.206   8.222  -7.785
  386    HG3  ARG  49           HG3      ARG  49 -23.150   9.726  -7.533
  387    HD2  ARG  49           HD2      ARG  49 -20.269   9.575  -8.474
  388    HD3  ARG  49           HD3      ARG  49 -21.654   9.858  -9.529
  389    HE   ARG  49           HE       ARG  49 -20.426  11.759  -7.638
  390   HH11  ARG  49          HH11      ARG  49 -23.184  11.047  -9.730
  391   HH12  ARG  49          HH12      ARG  49 -23.694  12.724  -9.816
  392   HH21  ARG  49          HH21      ARG  49 -21.102  13.920  -7.787
  393   HH22  ARG  49          HH22      ARG  49 -22.508  14.345  -8.734
  394    H    TYR  50           H        TYR  50 -23.931   6.640  -4.807
  395    HA   TYR  50           HA       TYR  50 -26.023   8.228  -3.582
  396    HB2  TYR  50           HB2      TYR  50 -27.707   7.577  -5.428
  397    HB3  TYR  50           HB3      TYR  50 -26.633   8.951  -5.698
  398    HD1  TYR  50           HD1      TYR  50 -27.353   5.470  -6.749
  399    HD2  TYR  50           HD2      TYR  50 -24.946   8.972  -7.297
  400    HE1  TYR  50           HE1      TYR  50 -26.403   4.483  -8.830
  401    HE2  TYR  50           HE2      TYR  50 -23.904   7.975  -9.320
  402    HH   TYR  50           HH       TYR  50 -24.928   4.757 -10.559
  403    H    THR  51           H        THR  51 -24.742   5.073  -4.664
  404    HA   THR  51           HA       THR  51 -27.027   3.746  -3.301
  405    HB   THR  51           HB       THR  51 -26.445   1.775  -4.281
  406   HG21  THR  51          HG21      THR  51 -25.293   3.770  -6.279
  407   HG22  THR  51          HG22      THR  51 -25.911   2.147  -6.639
  408   HG23  THR  51          HG23      THR  51 -27.030   3.399  -6.065
  409    H    LYS  52           H        LYS  52 -23.732   4.707  -2.825
  410    HA   LYS  52           HA       LYS  52 -22.159   4.246  -1.326
  411    HB2  LYS  52           HB2      LYS  52 -22.789   4.789   1.000
  412    HB3  LYS  52           HB3      LYS  52 -23.385   5.956  -0.172
  413    HG2  LYS  52           HG2      LYS  52 -25.214   3.714   0.681
  414    HG3  LYS  52           HG3      LYS  52 -24.920   5.052   1.800
  415    HD2  LYS  52           HD2      LYS  52 -25.680   6.700   0.210
  416    HD3  LYS  52           HD3      LYS  52 -25.851   5.486  -1.063
  417    HE2  LYS  52           HE2      LYS  52 -27.565   4.304   0.299
  418    HE3  LYS  52           HE3      LYS  52 -27.417   5.564   1.541
  419    HZ1  LYS  52           HZ1      LYS  52 -29.255   5.961   0.037
  420    HZ2  LYS  52           HZ2      LYS  52 -28.148   7.168  -0.063
  421    HZ3  LYS  52           HZ3      LYS  52 -28.233   6.027  -1.248
  422    H    GLU  53           H        GLU  53 -23.253   1.794  -2.343
  423    HA   GLU  53           HA       GLU  53 -23.225  -0.144  -0.208
  424    HB2  GLU  53           HB2      GLU  53 -22.847  -0.308  -3.225
  425    HB3  GLU  53           HB3      GLU  53 -22.930  -1.726  -2.155
  426    HG2  GLU  53           HG2      GLU  53 -25.178  -0.974  -1.376
  427    HG3  GLU  53           HG3      GLU  53 -25.114   0.357  -2.541
  428    H    SER  54           H        SER  54 -21.369  -1.969  -1.357
  429    HA   SER  54           HA       SER  54 -18.723  -0.655  -0.971
  430    HB2  SER  54           HB2      SER  54 -19.472  -1.553   1.211
  431    HB3  SER  54           HB3      SER  54 -19.657  -3.159   0.477
  432    HG   SER  54           HG       SER  54 -17.629  -2.884   1.507
  433    H    ARG  55           H        ARG  55 -16.916  -2.308  -1.506
  434    HA   ARG  55           HA       ARG  55 -17.754  -4.136  -3.671
  435    HB2  ARG  55           HB2      ARG  55 -17.659  -1.796  -4.552
  436    HB3  ARG  55           HB3      ARG  55 -15.926  -1.765  -4.209
  437    HG2  ARG  55           HG2      ARG  55 -15.479  -3.433  -5.849
  438    HG3  ARG  55           HG3      ARG  55 -17.175  -3.957  -5.913
  439    HD2  ARG  55           HD2      ARG  55 -16.294  -1.170  -6.757
  440    HD3  ARG  55           HD3      ARG  55 -16.372  -2.553  -7.865
  441    HE   ARG  55           HE       ARG  55 -18.750  -2.690  -7.532
  442   HH11  ARG  55          HH11      ARG  55 -17.306   0.272  -6.196
  443   HH12  ARG  55          HH12      ARG  55 -18.846   1.105  -6.176
  444   HH21  ARG  55          HH21      ARG  55 -20.694  -1.558  -7.465
  445   HH22  ARG  55          HH22      ARG  55 -20.737   0.086  -6.879
  446    H    GLY  56           H        GLY  56 -15.745  -3.575  -1.044
  447    HA2  GLY  56           HA2      GLY  56 -14.484  -5.330  -0.169
  448    HA3  GLY  56           HA3      GLY  56 -14.352  -6.060  -1.770
  449    H    PHE  57           H        PHE  57 -13.461  -2.633  -1.475
  450    HA   PHE  57           HA       PHE  57 -10.673  -3.270  -0.847
  451    HB2  PHE  57           HB2      PHE  57  -9.710  -2.595  -2.884
  452    HB3  PHE  57           HB3      PHE  57 -10.894  -3.829  -3.278
  453    HD1  PHE  57           HD2      PHE  57 -13.233  -2.996  -4.153
  454    HD2  PHE  57           HD1      PHE  57  -9.730  -0.508  -3.933
  455    HE1  PHE  57           HE2      PHE  57 -14.181  -1.490  -5.873
  456    HE2  PHE  57           HE1      PHE  57 -10.655   0.958  -5.703
  457    HZ   PHE  57           HZ       PHE  57 -12.899   0.481  -6.652
  458    H    ALA  58           H        ALA  58  -9.296  -1.317  -0.980
  459    HA   ALA  58           HA       ALA  58 -10.713   1.257  -0.755
  460    HB1  ALA  58           HB1      ALA  58 -10.568   0.384   1.580
  461    HB2  ALA  58           HB2      ALA  58  -8.803   0.222   1.399
  462    HB3  ALA  58           HB3      ALA  58  -9.550   1.823   1.340
  463    H    PHE  59           H        PHE  59  -9.809   1.947  -2.638
  464    HA   PHE  59           HA       PHE  59  -7.076   1.511  -3.367
  465    HB2  PHE  59           HB2      PHE  59  -8.721   1.981  -5.057
  466    HB3  PHE  59           HB3      PHE  59  -9.202   3.478  -4.262
  467    HD1  PHE  59           HD1      PHE  59  -7.762   5.455  -4.282
  468    HD2  PHE  59           HD2      PHE  59  -6.855   2.008  -6.723
  469    HE1  PHE  59           HE1      PHE  59  -6.196   6.797  -5.614
  470    HE2  PHE  59           HE2      PHE  59  -5.213   3.334  -7.964
  471    HZ   PHE  59           HZ       PHE  59  -4.828   5.714  -7.403
  472    H    VAL  60           H        VAL  60  -5.565   2.076  -1.857
  473    HA   VAL  60           HA       VAL  60  -5.639   4.909  -0.901
  474    HB   VAL  60           HB       VAL  60  -4.232   4.371   0.831
  475   HG11  VAL  60          HG11      VAL  60  -5.499   1.647   0.424
  476   HG12  VAL  60          HG12      VAL  60  -5.038   2.424   1.946
  477   HG13  VAL  60          HG13      VAL  60  -6.393   3.082   1.003
  478   HG21  VAL  60          HG21      VAL  60  -2.842   2.249   0.897
  479   HG22  VAL  60          HG22      VAL  60  -3.199   2.095  -0.853
  480   HG23  VAL  60          HG23      VAL  60  -2.330   3.509  -0.237
  481    H    ARG  61           H        ARG  61  -3.347   5.993  -0.931
  482    HA   ARG  61           HA       ARG  61  -1.838   5.035  -3.265
  483    HB2  ARG  61           HB2      ARG  61  -2.148   6.902  -4.595
  484    HB3  ARG  61           HB3      ARG  61  -3.749   6.747  -3.878
  485    HG2  ARG  61           HG2      ARG  61  -3.072   8.439  -2.138
  486    HG3  ARG  61           HG3      ARG  61  -1.540   8.658  -3.019
  487    HD2  ARG  61           HD2      ARG  61  -4.338   9.138  -4.083
  488    HD3  ARG  61           HD3      ARG  61  -3.123  10.376  -3.719
  489    HE   ARG  61           HE       ARG  61  -1.710   9.267  -5.530
  490   HH11  ARG  61          HH11      ARG  61  -5.242   9.164  -5.595
  491   HH12  ARG  61          HH12      ARG  61  -5.309   8.887  -7.321
  492   HH21  ARG  61          HH21      ARG  61  -1.846   8.941  -7.790
  493   HH22  ARG  61          HH22      ARG  61  -3.415   8.760  -8.545
  494    H    PHE  62           H        PHE  62   0.314   5.456  -3.272
  495    HA   PHE  62           HA       PHE  62   1.445   6.928  -0.905
  496    HB2  PHE  62           HB2      PHE  62   2.531   4.692  -2.645
  497    HB3  PHE  62           HB3      PHE  62   3.569   5.692  -1.677
  498    HD1  PHE  62           HD2      PHE  62   0.461   3.609  -1.131
  499    HD2  PHE  62           HD1      PHE  62   4.240   5.033   0.360
  500    HE1  PHE  62           HE2      PHE  62   0.245   2.142   0.852
  501    HE2  PHE  62           HE1      PHE  62   4.023   3.553   2.336
  502    HZ   PHE  62           HZ       PHE  62   2.043   2.117   2.584
  503    H    HIS  63           H        HIS  63   3.553   7.975  -1.313
  504    HA   HIS  63           HA       HIS  63   3.726   9.131  -4.050
  505    HB2  HIS  63           HB2      HIS  63   4.765  11.100  -2.440
  506    HB3  HIS  63           HB3      HIS  63   3.182  11.079  -3.173
  507    HD2  HIS  63           HD2      HIS  63   4.031   9.096   0.163
  508    HE1  HIS  63           HE1      HIS  63   1.196  12.134   1.025
  509    HE2  HIS  63           HE2      HIS  63   2.478  10.150   1.959
  510    H    ASP  64           H        ASP  64   5.515   8.094  -1.148
  511    HA   ASP  64           HA       ASP  64   8.093   8.718  -2.338
  512    HB2  ASP  64           HB2      ASP  64   7.042   7.257   0.058
  513    HB3  ASP  64           HB3      ASP  64   8.701   6.902  -0.468
  514    H    LYS  65           H        LYS  65   9.064   7.600  -3.925
  515    HA   LYS  65           HA       LYS  65   7.991   5.233  -5.071
  516    HB2  LYS  65           HB2      LYS  65   9.435   6.788  -6.280
  517    HB3  LYS  65           HB3      LYS  65  10.756   6.494  -5.154
  518    HG2  LYS  65           HG2      LYS  65  11.204   5.295  -7.183
  519    HG3  LYS  65           HG3      LYS  65  10.840   4.091  -5.948
  520    HD2  LYS  65           HD2      LYS  65   8.569   5.123  -7.635
  521    HD3  LYS  65           HD3      LYS  65   9.749   4.051  -8.407
  522    HE2  LYS  65           HE2      LYS  65   8.240   3.376  -5.857
  523    HE3  LYS  65           HE3      LYS  65   7.752   2.882  -7.483
  524    HZ1  LYS  65           HZ1      LYS  65  10.305   2.146  -6.220
  525    HZ2  LYS  65           HZ2      LYS  65   9.011   1.161  -6.431
  526    HZ3  LYS  65           HZ3      LYS  65   9.832   1.735  -7.734
  527    H    ARG  66           H        ARG  66  10.817   5.692  -2.871
  528    HA   ARG  66           HA       ARG  66  11.488   2.925  -2.833
  529    HB2  ARG  66           HB2      ARG  66  12.990   3.455  -1.065
  530    HB3  ARG  66           HB3      ARG  66  13.069   4.717  -2.290
  531    HG2  ARG  66           HG2      ARG  66  11.504   4.918   0.316
  532    HG3  ARG  66           HG3      ARG  66  13.156   5.503   0.095
  533    HD2  ARG  66           HD2      ARG  66  10.685   6.542  -1.340
  534    HD3  ARG  66           HD3      ARG  66  11.618   7.364  -0.081
  535    HE   ARG  66           HE       ARG  66  13.297   6.623  -2.305
  536   HH11  ARG  66          HH11      ARG  66  10.966   9.050  -1.201
  537   HH12  ARG  66          HH12      ARG  66  11.548  10.271  -2.301
  538   HH21  ARG  66          HH21      ARG  66  14.049   8.256  -3.709
  539   HH22  ARG  66          HH22      ARG  66  13.281   9.825  -3.722
  540    H    ASP  67           H        ASP  67   9.132   4.752  -0.932
  541    HA   ASP  67           HA       ASP  67   8.925   2.536   1.014
  542    HB2  ASP  67           HB2      ASP  67   7.411   5.154   0.773
  543    HB3  ASP  67           HB3      ASP  67   7.266   3.993   2.100
  544    H    ALA  68           H        ALA  68   7.505   3.484  -2.035
  545    HA   ALA  68           HA       ALA  68   4.953   2.205  -1.551
  546    HB1  ALA  68           HB1      ALA  68   6.449   3.225  -3.998
  547    HB2  ALA  68           HB2      ALA  68   4.810   2.548  -4.064
  548    HB3  ALA  68           HB3      ALA  68   5.110   4.037  -3.138
  549    H    GLU  69           H        GLU  69   8.093   1.412  -3.124
  550    HA   GLU  69           HA       GLU  69   7.163  -1.221  -3.947
  551    HB2  GLU  69           HB2      GLU  69   9.542  -1.570  -4.551
  552    HB3  GLU  69           HB3      GLU  69   8.880  -0.087  -5.254
  553    HG2  GLU  69           HG2      GLU  69   9.958   1.285  -3.581
  554    HG3  GLU  69           HG3      GLU  69  10.504  -0.132  -2.678
  555    H    ASP  70           H        ASP  70   8.670   0.162  -1.036
  556    HA   ASP  70           HA       ASP  70   9.507  -2.406  -0.005
  557    HB2  ASP  70           HB2      ASP  70  10.449  -0.233   0.730
  558    HB3  ASP  70           HB3      ASP  70   8.884   0.201   1.438
  559    H    ALA  71           H        ALA  71   6.589  -0.312   0.573
  560    HA   ALA  71           HA       ALA  71   5.383  -2.077   2.442
  561    HB1  ALA  71           HB1      ALA  71   4.735   0.285   2.094
  562    HB2  ALA  71           HB2      ALA  71   4.092  -0.132   0.482
  563    HB3  ALA  71           HB3      ALA  71   3.338  -0.802   1.943
  564    H    MET  72           H        MET  72   5.423  -2.015  -1.107
  565    HA   MET  72           HA       MET  72   3.372  -4.028  -1.475
  566    HB2  MET  72           HB2      MET  72   3.798  -2.502  -3.232
  567    HB3  MET  72           HB3      MET  72   5.559  -2.754  -3.107
  568    HG2  MET  72           HG2      MET  72   5.458  -4.859  -4.117
  569    HG3  MET  72           HG3      MET  72   3.687  -4.960  -3.970
  570    HE1  MET  72           HE1      MET  72   5.136  -1.486  -4.958
  571    HE2  MET  72           HE2      MET  72   6.487  -2.541  -5.437
  572    HE3  MET  72           HE3      MET  72   5.539  -1.686  -6.672
  573    H    ASP  73           H        ASP  73   6.965  -4.006  -1.276
  574    HA   ASP  73           HA       ASP  73   7.064  -6.852  -1.824
  575    HB2  ASP  73           HB2      ASP  73   8.803  -5.224  -2.578
  576    HB3  ASP  73           HB3      ASP  73   9.247  -4.949  -0.889
  577    H    ALA  74           H        ALA  74   5.997  -5.277   0.867
  578    HA   ALA  74           HA       ALA  74   7.215  -7.279   2.713
  579    HB1  ALA  74           HB1      ALA  74   6.564  -4.360   3.196
  580    HB2  ALA  74           HB2      ALA  74   7.217  -5.481   4.421
  581    HB3  ALA  74           HB3      ALA  74   8.204  -5.031   3.004
  582    H    MET  75           H        MET  75   4.312  -6.090   1.351
  583    HA   MET  75           HA       MET  75   2.878  -7.514   3.534
  584    HB2  MET  75           HB2      MET  75   2.874  -4.844   3.603
  585    HB3  MET  75           HB3      MET  75   1.573  -5.081   2.398
  586    HG2  MET  75           HG2      MET  75   0.640  -6.819   4.058
  587    HG3  MET  75           HG3      MET  75   1.771  -6.138   5.231
  588    HE1  MET  75           HE1      MET  75   1.732  -3.088   4.364
  589    HE2  MET  75           HE2      MET  75   0.455  -2.378   5.370
  590    HE3  MET  75           HE3      MET  75   1.599  -3.535   6.088
  591    H    ASP  76           H        ASP  76   2.890  -6.548   0.052
  592    HA   ASP  76           HA       ASP  76   0.276  -7.536  -0.456
  593    HB2  ASP  76           HB2      ASP  76   1.412  -6.210  -2.098
  594    HB3  ASP  76           HB3      ASP  76   2.781  -7.329  -2.171
  595    H    GLY  77           H        GLY  77  -0.554  -9.505  -0.692
  596    HA2  GLY  77           HA2      GLY  77  -0.692 -11.785  -1.024
  597    HA3  GLY  77           HA3      GLY  77   1.041 -11.822  -1.390
  598    H    ALA  78           H        ALA  78   0.419 -10.275   1.617
  599    HA   ALA  78           HA       ALA  78   1.574 -12.550   3.035
  600    HB1  ALA  78           HB1      ALA  78   2.343 -10.211   3.450
  601    HB2  ALA  78           HB2      ALA  78   0.715  -9.782   4.014
  602    HB3  ALA  78           HB3      ALA  78   1.691 -10.955   4.928
  603    H    VAL  79           H        VAL  79  -0.989 -13.029   1.965
  604    HA   VAL  79           HA       VAL  79  -3.079 -12.501   3.846
  605    HB   VAL  79           HB       VAL  79  -2.994 -14.581   1.638
  606   HG11  VAL  79          HG11      VAL  79  -5.399 -13.331   2.872
  607   HG12  VAL  79          HG12      VAL  79  -5.307 -14.287   1.360
  608   HG13  VAL  79          HG13      VAL  79  -4.881 -15.047   2.884
  609   HG21  VAL  79          HG21      VAL  79  -2.353 -12.473   0.645
  610   HG22  VAL  79          HG22      VAL  79  -4.059 -12.740   0.250
  611   HG23  VAL  79          HG23      VAL  79  -3.603 -11.596   1.541
  612    H    LEU  80           H        LEU  80  -4.484 -14.240   4.763
  613    HA   LEU  80           HA       LEU  80  -3.197 -16.784   5.363
  614    HB2  LEU  80           HB2      LEU  80  -2.899 -16.591   7.658
  615    HB3  LEU  80           HB3      LEU  80  -2.260 -15.075   7.024
  616    HG   LEU  80           HG       LEU  80  -4.965 -15.521   8.375
  617   HD11  LEU  80          HD11      LEU  80  -2.489 -13.953   9.196
  618   HD12  LEU  80          HD12      LEU  80  -4.010 -14.057  10.108
  619   HD13  LEU  80          HD13      LEU  80  -3.017 -15.510   9.882
  620   HD21  LEU  80          HD21      LEU  80  -5.188 -13.036   8.274
  621   HD22  LEU  80          HD22      LEU  80  -3.756 -12.973   7.231
  622   HD23  LEU  80          HD23      LEU  80  -5.238 -13.793   6.670
  623    H    ASP  81           H        ASP  81  -5.940 -15.257   4.492
  624    HA   ASP  81           HA       ASP  81  -7.613 -17.324   5.770
  625    HB2  ASP  81           HB2      ASP  81  -7.579 -15.263   7.224
  626    HB3  ASP  81           HB3      ASP  81  -8.279 -14.367   5.873
  627    H    GLY  82           H        GLY  82  -6.671 -15.941   2.959
  628    HA2  GLY  82           HA2      GLY  82  -7.894 -17.001   1.019
  629    HA3  GLY  82           HA3      GLY  82  -9.364 -16.253   1.677
  630    H    ARG  83           H        ARG  83  -7.533 -13.887   2.499
  631    HA   ARG  83           HA       ARG  83  -6.360 -12.650   0.264
  632    HB2  ARG  83           HB2      ARG  83  -7.957 -10.890  -0.186
  633    HB3  ARG  83           HB3      ARG  83  -8.658 -12.444  -0.648
  634    HG2  ARG  83           HG2      ARG  83 -10.219 -12.388   1.114
  635    HG3  ARG  83           HG3      ARG  83  -9.189 -11.307   2.101
  636    HD2  ARG  83           HD2      ARG  83 -11.027 -10.033   1.312
  637    HD3  ARG  83           HD3      ARG  83  -9.491  -9.487   0.593
  638    HE   ARG  83           HE       ARG  83 -10.770 -11.375  -1.151
  639   HH11  ARG  83          HH11      ARG  83 -11.077  -8.050   0.010
  640   HH12  ARG  83          HH12      ARG  83 -11.812  -7.469  -1.455
  641   HH21  ARG  83          HH21      ARG  83 -11.737 -10.599  -3.073
  642   HH22  ARG  83          HH22      ARG  83 -12.210  -8.919  -3.201
  643    H    GLU  84           H        GLU  84  -5.168 -10.911   1.085
  644    HA   GLU  84           HA       GLU  84  -6.285  -9.642   3.498
  645    HB2  GLU  84           HB2      GLU  84  -3.420 -10.596   3.323
  646    HB3  GLU  84           HB3      GLU  84  -3.974  -9.385   4.467
  647    HG2  GLU  84           HG2      GLU  84  -5.020 -12.228   4.352
  648    HG3  GLU  84           HG3      GLU  84  -3.892 -11.565   5.521
  649    H    LEU  85           H        LEU  85  -3.739  -9.578   0.936
  650    HA   LEU  85           HA       LEU  85  -4.153  -6.641   0.607
  651    HB2  LEU  85           HB2      LEU  85  -1.504  -8.115   0.942
  652    HB3  LEU  85           HB3      LEU  85  -1.644  -6.513   0.233
  653    HG   LEU  85           HG       LEU  85  -0.886  -6.180   2.381
  654   HD11  LEU  85          HD11      LEU  85  -3.883  -5.661   2.481
  655   HD12  LEU  85          HD12      LEU  85  -2.629  -4.834   3.426
  656   HD13  LEU  85          HD13      LEU  85  -2.678  -4.651   1.649
  657   HD21  LEU  85          HD21      LEU  85  -1.593  -8.466   3.218
  658   HD22  LEU  85          HD22      LEU  85  -1.714  -7.126   4.390
  659   HD23  LEU  85          HD23      LEU  85  -3.176  -7.730   3.586
  660    H    ARG  86           H        ARG  86  -3.739  -5.847  -1.376
  661    HA   ARG  86           HA       ARG  86  -2.292  -7.372  -3.416
  662    HB2  ARG  86           HB2      ARG  86  -5.173  -6.457  -3.715
  663    HB3  ARG  86           HB3      ARG  86  -4.095  -6.587  -5.111
  664    HG2  ARG  86           HG2      ARG  86  -4.751  -8.867  -3.207
  665    HG3  ARG  86           HG3      ARG  86  -5.501  -8.605  -4.786
  666    HD2  ARG  86           HD2      ARG  86  -2.516  -9.081  -4.347
  667    HD3  ARG  86           HD3      ARG  86  -3.687 -10.311  -4.812
  668    HE   ARG  86           HE       ARG  86  -4.115  -9.100  -6.883
  669   HH11  ARG  86          HH11      ARG  86  -1.129  -8.161  -5.158
  670   HH12  ARG  86          HH12      ARG  86  -0.413  -7.511  -6.610
  671   HH21  ARG  86          HH21      ARG  86  -3.119  -8.216  -8.697
  672   HH22  ARG  86          HH22      ARG  86  -1.521  -7.528  -8.587
  673    H    VAL  87           H        VAL  87  -0.676  -5.946  -3.750
  674    HA   VAL  87           HA       VAL  87  -1.341  -3.037  -3.906
  675    HB   VAL  87           HB       VAL  87   1.058  -4.254  -2.488
  676   HG11  VAL  87          HG11      VAL  87   1.472  -2.024  -3.383
  677   HG12  VAL  87          HG12      VAL  87   0.019  -1.399  -2.583
  678   HG13  VAL  87          HG13      VAL  87   1.392  -1.984  -1.612
  679   HG21  VAL  87          HG21      VAL  87  -0.860  -4.831  -1.164
  680   HG22  VAL  87          HG22      VAL  87  -0.021  -3.480  -0.385
  681   HG23  VAL  87          HG23      VAL  87  -1.517  -3.183  -1.318
  682    H    GLN  88           H        GLN  88  -0.556  -2.124  -5.660
  683    HA   GLN  88           HA       GLN  88   2.075  -2.733  -6.757
  684    HB2  GLN  88           HB2      GLN  88  -0.479  -3.299  -8.352
  685    HB3  GLN  88           HB3      GLN  88   1.131  -3.104  -9.062
  686    HG2  GLN  88           HG2      GLN  88   1.929  -5.034  -7.656
  687    HG3  GLN  88           HG3      GLN  88   0.234  -5.305  -7.180
  688   HE21  GLN  88          HE22      GLN  88   2.390  -5.028 -10.050
  689   HE22  GLN  88          HE21      GLN  88   1.464  -6.134 -11.048
  690    H    MET  89           H        MET  89   2.374  -1.380  -8.786
  691    HA   MET  89           HA       MET  89   1.884   1.357  -8.100
  692    HB2  MET  89           HB2      MET  89   2.978  -0.038 -10.568
  693    HB3  MET  89           HB3      MET  89   3.091   1.715 -10.272
  694    HG2  MET  89           HG2      MET  89   4.042  -0.317  -8.215
  695    HG3  MET  89           HG3      MET  89   5.085   0.154  -9.527
  696    HE1  MET  89           HE1      MET  89   6.334   1.917  -6.165
  697    HE2  MET  89           HE2      MET  89   5.431   0.399  -6.273
  698    HE3  MET  89           HE3      MET  89   6.744   0.732  -7.440
  699    H    ALA  90           H        ALA  90   0.558   2.865  -9.124
  700    HA   ALA  90           HA       ALA  90  -1.946   1.897 -10.172
  701    HB1  ALA  90           HB1      ALA  90  -0.767   4.700 -10.067
  702    HB2  ALA  90           HB2      ALA  90  -2.467   4.295 -10.372
  703    HB3  ALA  90           HB3      ALA  90  -1.740   3.925  -8.793
  704    H    ARG  91           H        ARG  91  -2.902   2.690 -12.199
  705    HA   ARG  91           HA       ARG  91  -0.982   3.231 -14.385
  706    HB2  ARG  91           HB2      ARG  91  -1.455   0.796 -14.336
  707    HB3  ARG  91           HB3      ARG  91  -3.188   1.125 -14.468
  708    HG2  ARG  91           HG2      ARG  91  -2.132   0.446 -16.621
  709    HG3  ARG  91           HG3      ARG  91  -2.903   2.033 -16.702
  710    HD2  ARG  91           HD2      ARG  91  -0.720   2.024 -17.839
  711    HD3  ARG  91           HD3      ARG  91  -0.717   3.138 -16.466
  712    HE   ARG  91           HE       ARG  91   0.224   0.540 -15.658
  713   HH11  ARG  91          HH11      ARG  91   1.224   3.425 -17.446
  714   HH12  ARG  91          HH12      ARG  91   2.924   3.178 -17.127
  715   HH21  ARG  91          HH21      ARG  91   2.452   0.238 -15.262
  716   HH22  ARG  91          HH22      ARG  91   3.615   1.380 -15.888
  717    H    TYR  92           H        TYR  92  -3.580   4.179 -12.606
  718    HA   TYR  92           HA       TYR  92  -4.511   5.963 -14.772
  719    HB2  TYR  92           HB2      TYR  92  -6.398   4.587 -12.848
  720    HB3  TYR  92           HB3      TYR  92  -6.823   5.657 -14.189
  721    HD1  TYR  92           HD1      TYR  92  -6.041   4.816 -16.584
  722    HD2  TYR  92           HD2      TYR  92  -6.498   2.307 -13.121
  723    HE1  TYR  92           HE1      TYR  92  -6.272   2.828 -18.061
  724    HE2  TYR  92           HE2      TYR  92  -6.726   0.313 -14.588
  725    HH   TYR  92           HH       TYR  92  -6.590   0.568 -18.164
  726    H    GLY  93           H        GLY  93  -5.490   7.970 -13.890
  727    HA2  GLY  93           HA2      GLY  93  -4.395   8.564 -11.161
  728    HA3  GLY  93           HA3      GLY  93  -4.406   9.695 -12.526
  729    H    ARG  94           H        ARG  94  -7.227   8.528 -13.188
  730    HA   ARG  94           HA       ARG  94  -8.954   9.224 -11.007
  731    HB2  ARG  94           HB2      ARG  94  -8.040  11.510 -11.856
  732    HB3  ARG  94           HB3      ARG  94  -8.859  11.162 -13.364
  733    HG2  ARG  94           HG2      ARG  94 -10.291  12.594 -12.071
  734    HG3  ARG  94           HG3      ARG  94 -11.035  10.988 -12.074
  735    HD2  ARG  94           HD2      ARG  94 -11.123  11.987  -9.836
  736    HD3  ARG  94           HD3      ARG  94 -10.072  10.554  -9.825
  737    HE   ARG  94           HE       ARG  94  -8.639  13.056 -10.260
  738   HH11  ARG  94          HH11      ARG  94  -9.992  10.862  -7.853
  739   HH12  ARG  94          HH12      ARG  94  -8.842  11.308  -6.615
  740   HH21  ARG  94          HH21      ARG  94  -7.164  13.669  -8.607
  741   HH22  ARG  94          HH22      ARG  94  -7.281  12.930  -7.027
  742    HA   PRO  95           HA       PRO  95 -11.416   6.781 -13.933
  743    HB2  PRO  95           HB2      PRO  95 -13.937   7.362 -12.934
  744    HB3  PRO  95           HB3      PRO  95 -12.835   6.096 -12.284
  745    HG2  PRO  95           HG2      PRO  95 -13.258   8.918 -11.280
  746    HG3  PRO  95           HG3      PRO  95 -13.126   7.408 -10.325
  747    HD2  PRO  95           HD2      PRO  95 -11.011   9.056 -10.582
  748    HD3  PRO  95           HD3      PRO  95 -10.791   7.288 -10.655
  749    HA   PRO  96           HA       PRO  96 -12.002  10.436 -16.420
  750    HB2  PRO  96           HB2      PRO  96 -12.226   9.273 -18.878
  751    HB3  PRO  96           HB3      PRO  96 -10.682   9.309 -17.969
  752    HG2  PRO  96           HG2      PRO  96 -12.704   7.051 -18.116
  753    HG3  PRO  96           HG3      PRO  96 -10.924   6.965 -18.335
  754    HD2  PRO  96           HD2      PRO  96 -12.154   6.384 -15.956
  755    HD3  PRO  96           HD3      PRO  96 -10.540   7.161 -16.027
  756    H    ASP  97           H        ASP  97 -14.302   7.674 -16.514
  757    HA   ASP  97           HA       ASP  97 -16.464   9.623 -16.597
  758    HB2  ASP  97           HB2      ASP  97 -17.557   8.747 -18.513
  759    HB3  ASP  97           HB3      ASP  97 -15.912   9.255 -18.954
  760    H    SER  98           H        SER  98 -17.034   8.966 -14.605
  761    HA   SER  98           HA       SER  98 -18.623   6.464 -14.541
  762    HB2  SER  98           HB2      SER  98 -16.589   7.194 -12.395
  763    HB3  SER  98           HB3      SER  98 -17.708   5.823 -12.358
  764    HG   SER  98           HG       SER  98 -16.655   5.059 -14.279
  765    H    HIS  99           H        HIS  99 -18.350   9.794 -13.866
  766    HA   HIS  99           HA       HIS  99 -20.662   9.730 -12.049
  767    HB2  HIS  99           HB2      HIS  99 -19.496  11.016 -10.329
  768    HB3  HIS  99           HB3      HIS  99 -18.679   9.479 -10.593
  769    HD2  HIS  99           HD2      HIS  99 -17.535  12.551  -9.576
  770    HE1  HIS  99           HE1      HIS  99 -14.868  11.918 -12.825
  771    HE2  HIS  99           HE2      HIS  99 -15.286  13.268 -10.702
  772    H    HIS 100           H        HIS 100 -19.496  10.868 -14.799
  773    HA   HIS 100           HA       HIS 100 -20.828  13.487 -14.510
  774    HB2  HIS 100           HB2      HIS 100 -18.368  13.747 -14.042
  775    HB3  HIS 100           HB3      HIS 100 -18.035  13.160 -15.678
  776    HD2  HIS 100           HD2      HIS 100 -17.538  15.097 -17.292
  777    HE1  HIS 100           HE1      HIS 100 -20.042  18.116 -15.659
  778    HE2  HIS 100           HE2      HIS 100 -18.366  17.576 -17.492
  779    H    SER 101           H        SER 101 -20.843  10.652 -16.004
  780    HA   SER 101           HA       SER 101 -21.831  11.746 -18.563
  781    HB2  SER 101           HB2      SER 101 -19.690   9.590 -18.358
  782    HB3  SER 101           HB3      SER 101 -20.536  10.085 -19.842
  783    HG   SER 101           HG       SER 101 -18.519  11.145 -19.609
  784    H5'    U 102           H5'        U 102 -11.764  -3.493 -12.881
  785   H5''    U 102          H5''        U 102 -11.217  -4.992 -12.111
  786    H4'    U 102           H4'        U 102 -10.718  -3.157 -10.642
  787    H3'    U 102           H3'        U 102 -12.114  -5.362  -9.738
  788    H2'    U 102           H2'        U 102 -14.266  -4.320 -10.085
  789   HO2'    U 102          HO2'        U 102 -13.394  -3.888  -7.415
  790    H1'    U 102           H1'        U 102 -12.970  -1.916  -8.755
  791    H3     U 102           H3         U 102 -15.925   1.413  -9.600
  792    H5     U 102           H5         U 102 -17.855  -2.061 -10.961
  793    H6     U 102           H6         U 102 -15.802  -3.290 -10.570
  794   HO5'    U 102          HO5'        U 102 -13.317  -5.187 -13.019
  795    H5'    G 103           H5'        G 103  -9.216  -1.441  -7.158
  796   H5''    G 103          H5''        G 103 -10.802  -1.407  -7.949
  797    H4'    G 103           H4'        G 103  -9.705   0.699  -8.393
  798    H3'    G 103           H3'        G 103 -10.225  -1.192 -10.563
  799    H2'    G 103           H2'        G 103  -8.197  -1.066 -11.379
  800   HO2'    G 103          HO2'        G 103  -9.063   1.491 -12.211
  801    H1'    G 103           H1'        G 103  -8.021   1.657 -10.029
  802    H8     G 103           H8         G 103  -5.809   2.670 -10.228
  803    H1     G 103           H1         G 103  -3.069  -2.655 -12.558
  804    H21    G 103           H21        G 103  -4.530  -4.336 -12.467
  805    H22    G 103           H22        G 103  -6.153  -4.104 -11.852
  806    H5'    G 104           H5'        G 104 -11.216   2.128  -7.318
  807   H5''    G 104          H5''        G 104 -12.378   2.522  -8.593
  808    H4'    G 104           H4'        G 104 -12.448   4.255  -6.868
  809    H3'    G 104           H3'        G 104 -10.881   5.361  -9.201
  810    H2'    G 104           H2'        G 104 -11.421   7.451  -8.122
  811   HO2'    G 104          HO2'        G 104 -13.409   5.908  -6.984
  812    H1'    G 104           H1'        G 104 -10.809   6.376  -5.713
  813    H8     G 104           H8         G 104  -9.224   8.401  -5.683
  814    H1     G 104           H1         G 104  -5.653   6.009 -10.442
  815    H21    G 104           H21        G 104  -6.675   4.256 -11.336
  816    H22    G 104           H22        G 104  -8.251   3.725 -10.772
  817    H5'    A 105           H5'        A 105 -13.635   7.862  -8.406
  818   H5''    A 105          H5''        A 105 -14.924   7.327  -7.315
  819    H4'    A 105           H4'        A 105 -14.808   9.600  -9.234
  820    H3'    A 105           H3'        A 105 -14.817   9.401  -6.612
  821    H2'    A 105           H2'        A 105 -16.584   7.870  -6.402
  822   HO2'    A 105          HO2'        A 105 -17.988  10.293  -6.220
  823    H1'    A 105           H1'        A 105 -18.487   9.168  -8.292
  824    H8     A 105           H8         A 105 -16.535   6.096  -7.164
  825    H61    A 105           H61        A 105 -21.158   2.727  -9.574
  826    H62    A 105           H62        A 105 -19.655   2.654  -8.667
  827    H2     A 105           H2         A 105 -21.912   6.992 -10.500
  828    H5'    G 106           H5'        G 106 -16.802  10.452  -4.113
  829   H5''    G 106          H5''        G 106 -17.832  11.892  -4.189
  830    H4'    G 106           H4'        G 106 -16.987  11.633  -1.953
  831    H3'    G 106           H3'        G 106 -16.886  14.020  -3.268
  832    H2'    G 106           H2'        G 106 -14.769  13.742  -4.220
  833   HO2'    G 106          HO2'        G 106 -14.820  15.638  -2.799
  834    H1'    G 106           H1'        G 106 -13.631  12.735  -1.618
  835    H8     G 106           H8         G 106 -13.592  12.689  -5.449
  836    H1     G 106           H1         G 106  -8.531  10.023  -2.511
  837    H21    G 106           H21        G 106  -8.975   9.797  -0.352
  838    H22    G 106           H22        G 106 -10.502  10.314   0.333
  839    H5'    U 107           H5'        U 107 -18.405  17.163   0.560
  840   H5''    U 107          H5''        U 107 -18.704  16.415  -1.015
  841    H4'    U 107           H4'        U 107 -15.907  16.953   0.056
  842    H3'    U 107           H3'        U 107 -17.418  19.144  -0.276
  843   HO3'    U 107          HO3'        U 107 -15.660  20.132  -1.351
  844    H2'    U 107           H2'        U 107 -18.557  18.283  -2.125
  845   HO2'    U 107          HO2'        U 107 -17.887  20.420  -2.637
  846    H1'    U 107           H1'        U 107 -15.969  17.726  -3.560
  847    H3     U 107           H3         U 107 -17.393  14.808  -6.660
  848    H5     U 107           H5         U 107 -20.840  15.575  -4.392
  849    H6     U 107           H6         U 107 -19.482  16.824  -2.840
  Start of MODEL   17
    1    H    MET   1           H1       MET   1 -18.458  14.985   3.143
    2    HA   MET   1           HA       MET   1 -16.567  17.224   3.115
    3    HB2  MET   1           HB2      MET   1 -18.078  17.250   5.071
    4    HB3  MET   1           HB3      MET   1 -17.595  15.590   5.463
    5    HG2  MET   1           HG2      MET   1 -16.352  17.225   6.815
    6    HG3  MET   1           HG3      MET   1 -15.265  16.324   5.755
    7    HE1  MET   1           HE1      MET   1 -13.547  19.822   6.042
    8    HE2  MET   1           HE2      MET   1 -14.458  18.960   7.302
    9    HE3  MET   1           HE3      MET   1 -13.365  18.059   6.224
   10    H    SER   2           H        SER   2 -14.913  16.389   1.963
   11    HA   SER   2           HA       SER   2 -13.483  14.047   3.061
   12    HB2  SER   2           HB2      SER   2 -14.305  14.250   0.149
   13    HB3  SER   2           HB3      SER   2 -13.326  12.969   0.886
   14    HG   SER   2           HG       SER   2 -15.513  12.352   0.686
   15    H    TYR   3           H        TYR   3 -11.686  13.808   0.962
   16    HA   TYR   3           HA       TYR   3  -9.679  15.590   1.575
   17    HB2  TYR   3           HB2      TYR   3 -10.213  14.092  -1.014
   18    HB3  TYR   3           HB3      TYR   3  -8.694  14.886  -0.631
   19    HD1  TYR   3           HD1      TYR   3 -11.063  12.312   0.739
   20    HD2  TYR   3           HD2      TYR   3  -7.013  13.712   0.440
   21    HE1  TYR   3           HE1      TYR   3 -10.277  10.276   1.933
   22    HE2  TYR   3           HE2      TYR   3  -6.207  11.657   1.598
   23    HH   TYR   3           HH       TYR   3  -8.460   9.123   2.744
   24    H    GLY   4           H        GLY   4 -12.278  16.110  -0.841
   25    HA2  GLY   4           HA2      GLY   4 -13.005  18.202  -1.515
   26    HA3  GLY   4           HA3      GLY   4 -11.571  18.946  -0.790
   27    H    ARG   5           H        ARG   5 -11.619  16.279  -3.164
   28    HA   ARG   5           HA       ARG   5 -10.409  16.003  -5.079
   29    HB2  ARG   5           HB2      ARG   5 -11.280  17.260  -6.950
   30    HB3  ARG   5           HB3      ARG   5 -12.511  16.565  -5.885
   31    HG2  ARG   5           HG2      ARG   5 -12.896  18.721  -4.825
   32    HG3  ARG   5           HG3      ARG   5 -11.625  19.485  -5.830
   33    HD2  ARG   5           HD2      ARG   5 -13.930  17.914  -6.958
   34    HD3  ARG   5           HD3      ARG   5 -14.101  19.652  -6.587
   35    HE   ARG   5           HE       ARG   5 -11.837  19.592  -8.130
   36   HH11  ARG   5          HH11      ARG   5 -15.072  18.261  -8.643
   37   HH12  ARG   5          HH12      ARG   5 -14.988  18.418 -10.381
   38   HH21  ARG   5          HH21      ARG   5 -11.754  19.794 -10.392
   39   HH22  ARG   5          HH22      ARG   5 -13.110  19.281 -11.363
   40    HA   PRO   6           HA       PRO   6  -7.438  19.613  -4.370
   41    HB2  PRO   6           HB2      PRO   6  -5.404  18.389  -3.020
   42    HB3  PRO   6           HB3      PRO   6  -6.873  19.002  -2.198
   43    HG2  PRO   6           HG2      PRO   6  -6.319  16.159  -3.125
   44    HG3  PRO   6           HG3      PRO   6  -6.873  16.705  -1.503
   45    HD2  PRO   6           HD2      PRO   6  -8.625  15.821  -3.399
   46    HD3  PRO   6           HD3      PRO   6  -9.032  17.179  -2.305
   47    HA   PRO   7           HA       PRO   7  -4.928  18.122  -7.789
   48    HB2  PRO   7           HB2      PRO   7  -2.892  19.912  -7.805
   49    HB3  PRO   7           HB3      PRO   7  -4.581  20.389  -8.197
   50    HG2  PRO   7           HG2      PRO   7  -3.130  20.692  -5.547
   51    HG3  PRO   7           HG3      PRO   7  -4.102  21.920  -6.424
   52    HD2  PRO   7           HD2      PRO   7  -5.121  20.392  -4.388
   53    HD3  PRO   7           HD3      PRO   7  -6.116  20.918  -5.777
   54    HA   PRO   8           HA       PRO   8  -1.978  15.650  -5.397
   55    HB2  PRO   8           HB2      PRO   8  -1.876  13.525  -7.035
   56    HB3  PRO   8           HB3      PRO   8  -3.389  13.900  -6.144
   57    HG2  PRO   8           HG2      PRO   8  -2.691  14.679  -8.997
   58    HG3  PRO   8           HG3      PRO   8  -4.164  13.822  -8.424
   59    HD2  PRO   8           HD2      PRO   8  -4.081  16.538  -8.789
   60    HD3  PRO   8           HD3      PRO   8  -5.026  15.794  -7.457
   61    H    ASP   9           H        ASP   9   0.013  14.228  -6.501
   62    HA   ASP   9           HA       ASP   9   1.353  15.929  -8.527
   63    HB2  ASP   9           HB2      ASP   9   2.120  16.525  -6.228
   64    HB3  ASP   9           HB3      ASP   9   2.642  14.855  -5.995
   65    H    VAL  10           H        VAL  10  -0.157  13.385  -8.572
   66    HA   VAL  10           HA       VAL  10   1.448  11.081  -8.734
   67    HB   VAL  10           HB       VAL  10  -0.418  10.207 -10.138
   68   HG11  VAL  10          HG11      VAL  10  -1.108  11.727  -7.601
   69   HG12  VAL  10          HG12      VAL  10  -2.212  10.594  -8.409
   70   HG13  VAL  10          HG13      VAL  10  -0.652  10.022  -7.772
   71   HG21  VAL  10          HG21      VAL  10  -0.958  12.300 -11.376
   72   HG22  VAL  10          HG22      VAL  10  -2.380  11.636 -10.551
   73   HG23  VAL  10          HG23      VAL  10  -1.540  13.039  -9.863
   74    H    GLU  11           H        GLU  11   1.759  13.815 -10.678
   75    HA   GLU  11           HA       GLU  11   2.531  12.286 -13.101
   76    HB2  GLU  11           HB2      GLU  11   2.241  15.276 -12.610
   77    HB3  GLU  11           HB3      GLU  11   2.594  14.499 -14.169
   78    HG2  GLU  11           HG2      GLU  11   0.451  13.230 -13.996
   79    HG3  GLU  11           HG3      GLU  11   0.081  14.090 -12.499
   80    H    GLY  12           H        GLY  12   3.968  12.983 -10.273
   81    HA2  GLY  12           HA2      GLY  12   6.647  12.982 -11.442
   82    HA3  GLY  12           HA3      GLY  12   6.235  14.412 -10.468
   83    H    MET  13           H        MET  13   4.684  11.422  -9.535
   84    HA   MET  13           HA       MET  13   6.787  10.826  -7.541
   85    HB2  MET  13           HB2      MET  13   5.391  11.139  -5.660
   86    HB3  MET  13           HB3      MET  13   5.070  12.558  -6.674
   87    HG2  MET  13           HG2      MET  13   3.097  11.231  -7.636
   88    HG3  MET  13           HG3      MET  13   3.389  10.041  -6.359
   89    HE1  MET  13           HE1      MET  13   1.333  10.012  -4.935
   90    HE2  MET  13           HE2      MET  13   0.257  11.408  -4.744
   91    HE3  MET  13           HE3      MET  13   0.618  10.787  -6.376
   92    H    THR  14           H        THR  14   6.291   8.759  -6.336
   93    HA   THR  14           HA       THR  14   5.385   6.768  -8.264
   94    HB   THR  14           HB       THR  14   6.379   6.429  -5.424
   95   HG21  THR  14          HG21      THR  14   5.062   4.484  -6.234
   96   HG22  THR  14          HG22      THR  14   5.965   4.496  -7.758
   97   HG23  THR  14          HG23      THR  14   6.785   4.081  -6.234
   98    H    SER  15           H        SER  15   3.191   7.340  -8.411
   99    HA   SER  15           HA       SER  15   1.339   7.177  -6.201
  100    HB2  SER  15           HB2      SER  15   0.877   8.344  -8.349
  101    HB3  SER  15           HB3      SER  15   0.844   6.775  -9.180
  102    HG   SER  15           HG       SER  15  -0.879   6.179  -7.836
  103    H    LEU  16           H        LEU  16   1.577   5.307  -4.997
  104    HA   LEU  16           HA       LEU  16   1.337   2.739  -6.517
  105    HB2  LEU  16           HB2      LEU  16   3.509   2.970  -5.636
  106    HB3  LEU  16           HB3      LEU  16   2.927   3.451  -4.047
  107    HG   LEU  16           HG       LEU  16   3.883   1.136  -4.214
  108   HD11  LEU  16          HD11      LEU  16   0.993   1.085  -3.314
  109   HD12  LEU  16          HD12      LEU  16   2.369   0.133  -2.721
  110   HD13  LEU  16          HD13      LEU  16   2.319   1.872  -2.404
  111   HD21  LEU  16          HD21      LEU  16   2.924   0.564  -6.421
  112   HD22  LEU  16          HD22      LEU  16   2.558  -0.647  -5.162
  113   HD23  LEU  16          HD23      LEU  16   1.308   0.512  -5.679
  114    H    LYS  17           H        LYS  17  -0.279   1.486  -6.117
  115    HA   LYS  17           HA       LYS  17  -2.373   2.506  -4.272
  116    HB2  LYS  17           HB2      LYS  17  -3.049   2.629  -6.507
  117    HB3  LYS  17           HB3      LYS  17  -2.291   1.082  -6.924
  118    HG2  LYS  17           HG2      LYS  17  -4.128   0.017  -5.391
  119    HG3  LYS  17           HG3      LYS  17  -4.905   1.612  -5.493
  120    HD2  LYS  17           HD2      LYS  17  -5.883   0.507  -7.253
  121    HD3  LYS  17           HD3      LYS  17  -4.527   1.291  -8.088
  122    HE2  LYS  17           HE2      LYS  17  -4.527  -1.561  -6.998
  123    HE3  LYS  17           HE3      LYS  17  -4.906  -1.149  -8.675
  124    HZ1  LYS  17           HZ1      LYS  17  -2.695  -0.254  -8.907
  125    HZ2  LYS  17           HZ2      LYS  17  -2.327  -0.664  -7.359
  126    HZ3  LYS  17           HZ3      LYS  17  -2.660  -1.830  -8.469
  127    H    VAL  18           H        VAL  18  -3.590   1.300  -2.982
  128    HA   VAL  18           HA       VAL  18  -2.872  -1.608  -2.701
  129    HB   VAL  18           HB       VAL  18  -3.730   0.269  -0.474
  130   HG11  VAL  18          HG11      VAL  18  -2.927  -2.663  -0.511
  131   HG12  VAL  18          HG12      VAL  18  -3.058  -1.686   0.964
  132   HG13  VAL  18          HG13      VAL  18  -4.496  -1.977  -0.032
  133   HG21  VAL  18          HG21      VAL  18  -1.008  -1.033  -0.846
  134   HG22  VAL  18          HG22      VAL  18  -1.350   0.665  -1.259
  135   HG23  VAL  18          HG23      VAL  18  -1.495   0.105   0.421
  136    H    ASP  19           H        ASP  19  -4.530  -3.032  -2.352
  137    HA   ASP  19           HA       ASP  19  -7.312  -2.134  -2.018
  138    HB2  ASP  19           HB2      ASP  19  -6.327  -3.693  -4.446
  139    HB3  ASP  19           HB3      ASP  19  -8.023  -3.533  -3.979
  140    H    ASN  20           H        ASN  20  -8.657  -4.398  -2.363
  141    HA   ASN  20           HA       ASN  20  -9.048  -6.554  -1.901
  142    HB2  ASN  20           HB2      ASN  20  -6.300  -6.621  -2.430
  143    HB3  ASN  20           HB3      ASN  20  -6.467  -7.482  -0.901
  144   HD21  ASN  20          HD22      ASN  20  -6.579  -9.631  -1.280
  145   HD22  ASN  20          HD21      ASN  20  -7.392 -10.387  -2.622
  146    H    LEU  21           H        LEU  21  -9.519  -4.508  -0.015
  147    HA   LEU  21           HA       LEU  21  -8.912  -5.252   2.666
  148    HB2  LEU  21           HB2      LEU  21 -11.220  -3.788   1.338
  149    HB3  LEU  21           HB3      LEU  21 -11.087  -3.950   3.074
  150    HG   LEU  21           HG       LEU  21 -10.280  -1.777   1.870
  151   HD11  LEU  21          HD11      LEU  21  -8.626  -3.110   4.030
  152   HD12  LEU  21          HD12      LEU  21  -8.755  -1.360   3.708
  153   HD13  LEU  21          HD13      LEU  21 -10.173  -2.259   4.276
  154   HD21  LEU  21          HD21      LEU  21  -8.607  -2.817   0.336
  155   HD22  LEU  21          HD22      LEU  21  -7.851  -1.698   1.484
  156   HD23  LEU  21          HD23      LEU  21  -7.723  -3.440   1.754
  157    H    THR  22           H        THR  22 -10.854  -5.853   4.161
  158    HA   THR  22           HA       THR  22 -12.422  -8.076   2.978
  159    HB   THR  22           HB       THR  22 -11.169  -8.031   5.748
  160   HG21  THR  22          HG21      THR  22 -12.959  -9.659   5.419
  161   HG22  THR  22          HG22      THR  22 -12.148 -10.267   3.946
  162   HG23  THR  22          HG23      THR  22 -11.378 -10.475   5.540
  163    H    TYR  23           H        TYR  23 -14.310  -8.650   4.476
  164    HA   TYR  23           HA       TYR  23 -15.861  -6.355   5.109
  165    HB2  TYR  23           HB2      TYR  23 -17.486  -7.935   5.899
  166    HB3  TYR  23           HB3      TYR  23 -16.740  -8.590   4.446
  167    HD1  TYR  23           HD2      TYR  23 -15.130 -10.488   4.599
  168    HD2  TYR  23           HD1      TYR  23 -17.241  -9.013   8.048
  169    HE1  TYR  23           HE2      TYR  23 -14.599 -12.581   5.818
  170    HE2  TYR  23           HE1      TYR  23 -16.698 -11.085   9.277
  171    HH   TYR  23           HH       TYR  23 -15.661 -13.144   9.195
  172    H    ARG  24           H        ARG  24 -13.183  -7.231   6.698
  173    HA   ARG  24           HA       ARG  24 -14.191  -6.381   9.362
  174    HB2  ARG  24           HB2      ARG  24 -12.626  -7.992  10.380
  175    HB3  ARG  24           HB3      ARG  24 -13.807  -8.808   9.346
  176    HG2  ARG  24           HG2      ARG  24 -12.079  -8.737   7.472
  177    HG3  ARG  24           HG3      ARG  24 -10.903  -8.172   8.676
  178    HD2  ARG  24           HD2      ARG  24 -12.497 -10.763   8.781
  179    HD3  ARG  24           HD3      ARG  24 -10.810 -10.626   8.266
  180    HE   ARG  24           HE       ARG  24 -11.132  -9.490  10.879
  181   HH11  ARG  24          HH11      ARG  24 -11.016 -12.611   9.207
  182   HH12  ARG  24          HH12      ARG  24 -10.446 -13.469  10.616
  183   HH21  ARG  24          HH21      ARG  24 -10.367 -10.643  12.690
  184   HH22  ARG  24          HH22      ARG  24 -10.070 -12.363  12.579
  185    H    THR  25           H        THR  25 -12.807  -5.127   6.913
  186    HA   THR  25           HA       THR  25 -10.613  -3.805   8.433
  187    HB   THR  25           HB       THR  25 -10.466  -4.235   5.440
  188   HG21  THR  25          HG21      THR  25  -8.879  -2.643   6.452
  189   HG22  THR  25          HG22      THR  25  -8.416  -3.849   7.672
  190   HG23  THR  25          HG23      THR  25  -8.013  -4.114   5.966
  191    H    SER  26           H        SER  26 -10.112  -1.590   7.491
  192    HA   SER  26           HA       SER  26 -12.427  -0.260   6.211
  193    HB2  SER  26           HB2      SER  26 -12.658   1.291   8.119
  194    HB3  SER  26           HB3      SER  26 -12.885  -0.376   8.683
  195    HG   SER  26           HG       SER  26 -11.470   0.802  10.028
  196    HA   PRO  27           HA       PRO  27  -9.250   2.256   4.586
  197    HB2  PRO  27           HB2      PRO  27 -10.239   4.812   4.542
  198    HB3  PRO  27           HB3      PRO  27 -10.850   3.501   3.480
  199    HG2  PRO  27           HG2      PRO  27 -11.995   4.461   6.117
  200    HG3  PRO  27           HG3      PRO  27 -12.881   4.160   4.586
  201    HD2  PRO  27           HD2      PRO  27 -12.829   2.332   6.563
  202    HD3  PRO  27           HD3      PRO  27 -12.733   1.824   4.862
  203    H    ASP  28           H        ASP  28 -10.545   3.300   7.764
  204    HA   ASP  28           HA       ASP  28  -8.368   5.091   8.344
  205    HB2  ASP  28           HB2      ASP  28 -10.564   5.011   9.569
  206    HB3  ASP  28           HB3      ASP  28 -10.040   3.472  10.301
  207    H    THR  29           H        THR  29  -8.861   1.582   8.609
  208    HA   THR  29           HA       THR  29  -6.466   1.139  10.201
  209    HB   THR  29           HB       THR  29  -8.109  -0.748   8.453
  210   HG21  THR  29          HG21      THR  29  -5.908  -1.237  10.506
  211   HG22  THR  29          HG22      THR  29  -6.980  -2.503   9.846
  212   HG23  THR  29          HG23      THR  29  -5.869  -1.632   8.774
  213    H    LEU  30           H        LEU  30  -7.339   0.964   6.705
  214    HA   LEU  30           HA       LEU  30  -4.815   0.018   5.841
  215    HB2  LEU  30           HB2      LEU  30  -7.290   0.957   4.741
  216    HB3  LEU  30           HB3      LEU  30  -5.981   1.809   3.899
  217    HG   LEU  30           HG       LEU  30  -6.752  -0.344   2.825
  218   HD11  LEU  30          HD11      LEU  30  -4.541   0.486   2.279
  219   HD12  LEU  30          HD12      LEU  30  -3.877  -0.172   3.787
  220   HD13  LEU  30          HD13      LEU  30  -4.440  -1.276   2.502
  221   HD21  LEU  30          HD21      LEU  30  -7.076  -1.562   5.044
  222   HD22  LEU  30          HD22      LEU  30  -6.220  -2.472   3.776
  223   HD23  LEU  30          HD23      LEU  30  -5.305  -1.745   5.106
  224    H    ARG  31           H        ARG  31  -5.753   3.127   7.046
  225    HA   ARG  31           HA       ARG  31  -3.561   4.555   5.738
  226    HB2  ARG  31           HB2      ARG  31  -5.906   5.414   6.744
  227    HB3  ARG  31           HB3      ARG  31  -4.967   5.534   8.227
  228    HG2  ARG  31           HG2      ARG  31  -4.606   7.010   5.605
  229    HG3  ARG  31           HG3      ARG  31  -4.876   7.680   7.214
  230    HD2  ARG  31           HD2      ARG  31  -2.568   6.868   7.855
  231    HD3  ARG  31           HD3      ARG  31  -2.338   6.359   6.166
  232    HE   ARG  31           HE       ARG  31  -2.080   8.540   5.499
  233   HH11  ARG  31          HH11      ARG  31  -3.240   8.495   8.844
  234   HH12  ARG  31          HH12      ARG  31  -2.974  10.213   9.073
  235   HH21  ARG  31          HH21      ARG  31  -1.753  10.762   5.833
  236   HH22  ARG  31          HH22      ARG  31  -2.116  11.479   7.379
  237    H    ARG  32           H        ARG  32  -4.349   3.531   9.107
  238    HA   ARG  32           HA       ARG  32  -1.763   4.297  10.102
  239    HB2  ARG  32           HB2      ARG  32  -2.585   3.461  12.208
  240    HB3  ARG  32           HB3      ARG  32  -3.906   4.290  11.358
  241    HG2  ARG  32           HG2      ARG  32  -5.038   2.447  12.095
  242    HG3  ARG  32           HG3      ARG  32  -4.539   1.911  10.496
  243    HD2  ARG  32           HD2      ARG  32  -4.149   0.114  12.002
  244    HD3  ARG  32           HD3      ARG  32  -2.549   0.761  11.627
  245    HE   ARG  32           HE       ARG  32  -4.085   1.135  14.163
  246   HH11  ARG  32          HH11      ARG  32  -1.006   1.439  12.420
  247   HH12  ARG  32          HH12      ARG  32  -0.090   1.692  13.887
  248   HH21  ARG  32          HH21      ARG  32  -2.857   1.514  16.026
  249   HH22  ARG  32          HH22      ARG  32  -1.135   1.769  15.904
  250    H    VAL  33           H        VAL  33  -2.670   1.646   8.248
  251    HA   VAL  33           HA       VAL  33  -0.615  -0.148   9.436
  252    HB   VAL  33           HB       VAL  33  -2.835  -0.547   7.396
  253   HG11  VAL  33          HG11      VAL  33  -0.760  -2.537   8.392
  254   HG12  VAL  33          HG12      VAL  33  -2.236  -2.956   7.478
  255   HG13  VAL  33          HG13      VAL  33  -0.975  -1.960   6.723
  256   HG21  VAL  33          HG21      VAL  33  -3.477  -0.406   9.807
  257   HG22  VAL  33          HG22      VAL  33  -3.758  -2.020   9.120
  258   HG23  VAL  33          HG23      VAL  33  -2.341  -1.729  10.162
  259    H    PHE  34           H        PHE  34  -1.327   1.698   6.442
  260    HA   PHE  34           HA       PHE  34   1.247   0.715   5.314
  261    HB2  PHE  34           HB2      PHE  34  -1.267   1.916   4.179
  262    HB3  PHE  34           HB3      PHE  34   0.225   2.096   3.298
  263    HD1  PHE  34           HD2      PHE  34  -2.102  -0.439   4.730
  264    HD2  PHE  34           HD1      PHE  34   1.203   0.281   2.076
  265    HE1  PHE  34           HE2      PHE  34  -2.384  -2.708   3.746
  266    HE2  PHE  34           HE1      PHE  34   0.919  -1.979   1.098
  267    HZ   PHE  34           HZ       PHE  34  -0.868  -3.476   1.924
  268    H    GLU  35           H        GLU  35   0.015   3.364   7.105
  269    HA   GLU  35           HA       GLU  35   1.720   5.413   5.978
  270    HB2  GLU  35           HB2      GLU  35  -0.257   6.008   7.228
  271    HB3  GLU  35           HB3      GLU  35   0.300   5.081   8.645
  272    HG2  GLU  35           HG2      GLU  35   2.101   6.629   9.025
  273    HG3  GLU  35           HG3      GLU  35   1.749   7.476   7.492
  274    H    LYS  36           H        LYS  36   2.207   2.798   8.343
  275    HA   LYS  36           HA       LYS  36   4.453   3.999   9.654
  276    HB2  LYS  36           HB2      LYS  36   4.865   1.772  10.545
  277    HB3  LYS  36           HB3      LYS  36   3.134   2.160  10.616
  278    HG2  LYS  36           HG2      LYS  36   2.775   0.817   8.550
  279    HG3  LYS  36           HG3      LYS  36   4.505   0.396   8.546
  280    HD2  LYS  36           HD2      LYS  36   4.261  -0.619  10.791
  281    HD3  LYS  36           HD3      LYS  36   2.526  -0.219  10.783
  282    HE2  LYS  36           HE2      LYS  36   2.207  -1.636   8.781
  283    HE3  LYS  36           HE3      LYS  36   3.941  -2.021   8.775
  284    HZ1  LYS  36           HZ1      LYS  36   2.630  -3.734   9.833
  285    HZ2  LYS  36           HZ2      LYS  36   3.655  -3.049  10.917
  286    HZ3  LYS  36           HZ3      LYS  36   2.052  -2.670  10.941
  287    H    TYR  37           H        TYR  37   4.132   2.369   6.603
  288    HA   TYR  37           HA       TYR  37   6.914   1.658   6.306
  289    HB2  TYR  37           HB2      TYR  37   4.671   2.052   4.304
  290    HB3  TYR  37           HB3      TYR  37   6.290   1.489   3.874
  291    HD1  TYR  37           HD1      TYR  37   3.298   0.667   5.959
  292    HD2  TYR  37           HD2      TYR  37   6.923  -0.765   4.151
  293    HE1  TYR  37           HE1      TYR  37   2.679  -1.633   6.581
  294    HE2  TYR  37           HE2      TYR  37   6.299  -3.108   4.763
  295    HH   TYR  37           HH       TYR  37   3.326  -3.867   6.586
  296    H    GLY  38           H        GLY  38   5.130   4.662   6.006
  297    HA2  GLY  38           HA2      GLY  38   7.384   6.278   6.016
  298    HA3  GLY  38           HA3      GLY  38   7.036   6.016   4.299
  299    H    ARG  39           H        ARG  39   4.949   6.676   3.434
  300    HA   ARG  39           HA       ARG  39   3.082   8.166   5.088
  301    HB2  ARG  39           HB2      ARG  39   3.334  10.269   3.756
  302    HB3  ARG  39           HB3      ARG  39   4.688   9.941   4.844
  303    HG2  ARG  39           HG2      ARG  39   6.062   9.144   2.998
  304    HG3  ARG  39           HG3      ARG  39   4.684   9.229   1.888
  305    HD2  ARG  39           HD2      ARG  39   6.029  11.208   1.524
  306    HD3  ARG  39           HD3      ARG  39   4.547  11.711   2.348
  307    HE   ARG  39           HE       ARG  39   5.787  12.222   4.279
  308   HH11  ARG  39          HH11      ARG  39   7.846  10.667   1.858
  309   HH12  ARG  39          HH12      ARG  39   9.327  11.039   2.713
  310   HH21  ARG  39          HH21      ARG  39   7.722  12.716   5.347
  311   HH22  ARG  39          HH22      ARG  39   9.254  12.197   4.680
  312    H    VAL  40           H        VAL  40   1.228   8.890   3.868
  313    HA   VAL  40           HA       VAL  40   0.884   7.543   1.238
  314    HB   VAL  40           HB       VAL  40  -1.170   7.396   3.485
  315   HG11  VAL  40          HG11      VAL  40  -0.854   5.962   0.820
  316   HG12  VAL  40          HG12      VAL  40  -2.134   5.644   2.008
  317   HG13  VAL  40          HG13      VAL  40  -2.057   7.223   1.196
  318   HG21  VAL  40          HG21      VAL  40  -0.555   4.996   3.671
  319   HG22  VAL  40          HG22      VAL  40   0.801   5.264   2.548
  320   HG23  VAL  40          HG23      VAL  40   0.790   6.044   4.151
  321    H    GLY  41           H        GLY  41  -0.547   8.713  -0.145
  322    HA2  GLY  41           HA2      GLY  41  -1.230  11.438   0.847
  323    HA3  GLY  41           HA3      GLY  41  -0.992  10.952  -0.841
  324    H    ASP  42           H        ASP  42  -2.690   8.415  -0.059
  325    HA   ASP  42           HA       ASP  42  -5.326   9.620   0.404
  326    HB2  ASP  42           HB2      ASP  42  -4.831   9.878  -2.069
  327    HB3  ASP  42           HB3      ASP  42  -4.646   8.127  -2.176
  328    H    VAL  43           H        VAL  43  -6.772   8.172   1.244
  329    HA   VAL  43           HA       VAL  43  -6.445   5.287   0.913
  330    HB   VAL  43           HB       VAL  43  -6.498   6.499   3.730
  331   HG11  VAL  43          HG11      VAL  43  -7.720   4.400   3.552
  332   HG12  VAL  43          HG12      VAL  43  -6.339   3.629   2.749
  333   HG13  VAL  43          HG13      VAL  43  -6.200   4.167   4.438
  334   HG21  VAL  43          HG21      VAL  43  -4.224   4.997   2.402
  335   HG22  VAL  43          HG22      VAL  43  -4.245   6.750   2.779
  336   HG23  VAL  43          HG23      VAL  43  -4.293   5.548   4.083
  337    H    TYR  44           H        TYR  44  -8.578   5.339  -0.109
  338    HA   TYR  44           HA       TYR  44 -10.673   5.637   1.896
  339    HB2  TYR  44           HB2      TYR  44 -11.748   7.433   1.233
  340    HB3  TYR  44           HB3      TYR  44 -10.130   7.939   0.809
  341    HD1  TYR  44           HD1      TYR  44 -10.073   6.283  -1.956
  342    HD2  TYR  44           HD2      TYR  44 -12.828   8.997  -0.045
  343    HE1  TYR  44           HE1      TYR  44 -11.059   6.837  -4.146
  344    HE2  TYR  44           HE2      TYR  44 -13.720   9.656  -2.258
  345    HH   TYR  44           HH       TYR  44 -12.567   8.098  -5.286
  346    H    ILE  45           H        ILE  45 -12.846   5.161   1.171
  347    HA   ILE  45           HA       ILE  45 -12.830   2.743  -0.508
  348    HB   ILE  45           HB       ILE  45 -15.078   3.947   1.163
  349   HG12  ILE  45          HG12      ILE  45 -13.103   3.599   2.579
  350   HG13  ILE  45          HG13      ILE  45 -14.414   2.491   2.986
  351   HG21  ILE  45          HG21      ILE  45 -14.532   1.124   0.126
  352   HG22  ILE  45          HG22      ILE  45 -15.808   1.560   1.274
  353   HG23  ILE  45          HG23      ILE  45 -15.847   2.204  -0.385
  354   HD11  ILE  45          HD11      ILE  45 -13.320   0.656   1.814
  355   HD12  ILE  45          HD12      ILE  45 -12.058   1.755   1.205
  356   HD13  ILE  45          HD13      ILE  45 -12.161   1.387   2.941
  357    HA   PRO  46           HA       PRO  46 -13.974   5.667  -3.623
  358    HB2  PRO  46           HB2      PRO  46 -13.779   4.084  -5.817
  359    HB3  PRO  46           HB3      PRO  46 -12.343   4.543  -4.828
  360    HG2  PRO  46           HG2      PRO  46 -13.927   1.975  -4.682
  361    HG3  PRO  46           HG3      PRO  46 -12.145   2.187  -4.814
  362    HD2  PRO  46           HD2      PRO  46 -13.429   1.809  -2.421
  363    HD3  PRO  46           HD3      PRO  46 -11.984   2.859  -2.555
  364    H    ARG  47           H        ARG  47 -15.722   2.468  -3.681
  365    HA   ARG  47           HA       ARG  47 -17.827   3.678  -5.340
  366    HB2  ARG  47           HB2      ARG  47 -17.347   0.934  -4.153
  367    HB3  ARG  47           HB3      ARG  47 -18.926   1.372  -4.809
  368    HG2  ARG  47           HG2      ARG  47 -17.594   0.228  -6.501
  369    HG3  ARG  47           HG3      ARG  47 -17.940   1.898  -6.991
  370    HD2  ARG  47           HD2      ARG  47 -15.686   2.590  -6.337
  371    HD3  ARG  47           HD3      ARG  47 -15.352   0.976  -5.691
  372    HE   ARG  47           HE       ARG  47 -15.046   0.146  -7.852
  373   HH11  ARG  47          HH11      ARG  47 -16.352   3.431  -8.032
  374   HH12  ARG  47          HH12      ARG  47 -15.768   3.699  -9.652
  375   HH21  ARG  47          HH21      ARG  47 -14.358   0.495  -9.979
  376   HH22  ARG  47          HH22      ARG  47 -14.765   1.983 -10.805
  377    H    ASP  48           H        ASP  48 -20.139   3.490  -4.669
  378    HA   ASP  48           HA       ASP  48 -21.801   4.208  -3.313
  379    HB2  ASP  48           HB2      ASP  48 -20.277   2.357  -1.446
  380    HB3  ASP  48           HB3      ASP  48 -21.914   2.940  -1.154
  381    H    ARG  49           H        ARG  49 -19.997   6.177  -3.542
  382    HA   ARG  49           HA       ARG  49 -18.667   7.139  -1.314
  383    HB2  ARG  49           HB2      ARG  49 -18.304   9.064  -2.621
  384    HB3  ARG  49           HB3      ARG  49 -18.637   7.799  -3.832
  385    HG2  ARG  49           HG2      ARG  49 -21.012   8.536  -3.849
  386    HG3  ARG  49           HG3      ARG  49 -20.535   9.895  -2.779
  387    HD2  ARG  49           HD2      ARG  49 -18.945  10.660  -4.514
  388    HD3  ARG  49           HD3      ARG  49 -19.514   9.380  -5.598
  389    HE   ARG  49           HE       ARG  49 -21.847  10.619  -4.929
  390   HH11  ARG  49          HH11      ARG  49 -18.779  11.842  -6.179
  391   HH12  ARG  49          HH12      ARG  49 -19.524  13.253  -6.908
  392   HH21  ARG  49          HH21      ARG  49 -22.770  12.441  -5.922
  393   HH22  ARG  49          HH22      ARG  49 -21.749  13.581  -6.772
  394    H    TYR  50           H        TYR  50 -22.020   6.828  -1.380
  395    HA   TYR  50           HA       TYR  50 -22.276   8.663   0.919
  396    HB2  TYR  50           HB2      TYR  50 -24.461   9.545  -0.090
  397    HB3  TYR  50           HB3      TYR  50 -22.951  10.129  -0.802
  398    HD1  TYR  50           HD1      TYR  50 -25.741   7.691  -1.325
  399    HD2  TYR  50           HD2      TYR  50 -22.494   9.892  -3.035
  400    HE1  TYR  50           HE1      TYR  50 -26.327   6.797  -3.567
  401    HE2  TYR  50           HE2      TYR  50 -22.920   8.870  -5.247
  402    HH   TYR  50           HH       TYR  50 -25.721   6.651  -5.775
  403    H    THR  51           H        THR  51 -22.649   5.612  -0.202
  404    HA   THR  51           HA       THR  51 -24.956   5.156   1.643
  405    HB   THR  51           HB       THR  51 -25.737   3.327   0.308
  406   HG21  THR  51          HG21      THR  51 -26.327   5.674  -0.496
  407   HG22  THR  51          HG22      THR  51 -24.972   5.499  -1.659
  408   HG23  THR  51          HG23      THR  51 -26.376   4.412  -1.754
  409    H    LYS  52           H        LYS  52 -21.716   4.527   0.842
  410    HA   LYS  52           HA       LYS  52 -20.158   3.015   1.413
  411    HB2  LYS  52           HB2      LYS  52 -19.674   2.969   3.769
  412    HB3  LYS  52           HB3      LYS  52 -20.111   4.586   3.244
  413    HG2  LYS  52           HG2      LYS  52 -22.274   2.827   4.394
  414    HG3  LYS  52           HG3      LYS  52 -21.056   3.472   5.495
  415    HD2  LYS  52           HD2      LYS  52 -22.764   5.186   3.641
  416    HD3  LYS  52           HD3      LYS  52 -23.079   4.909   5.355
  417    HE2  LYS  52           HE2      LYS  52 -20.565   6.211   4.212
  418    HE3  LYS  52           HE3      LYS  52 -21.937   7.064   4.920
  419    HZ1  LYS  52           HZ1      LYS  52 -20.186   6.768   6.504
  420    HZ2  LYS  52           HZ2      LYS  52 -21.510   5.928   6.991
  421    HZ3  LYS  52           HZ3      LYS  52 -20.229   5.130   6.334
  422    H    GLU  53           H        GLU  53 -22.619   1.609   0.621
  423    HA   GLU  53           HA       GLU  53 -22.824  -0.667   2.408
  424    HB2  GLU  53           HB2      GLU  53 -24.345  -1.570   0.707
  425    HB3  GLU  53           HB3      GLU  53 -24.759   0.095   1.137
  426    HG2  GLU  53           HG2      GLU  53 -23.678   0.923  -0.902
  427    HG3  GLU  53           HG3      GLU  53 -23.141  -0.716  -1.318
  428    H    SER  54           H        SER  54 -20.225   0.148   0.729
  429    HA   SER  54           HA       SER  54 -19.502  -2.691   0.224
  430    HB2  SER  54           HB2      SER  54 -20.101  -1.697  -1.950
  431    HB3  SER  54           HB3      SER  54 -18.924  -0.393  -1.677
  432    HG   SER  54           HG       SER  54 -18.066  -2.134  -2.925
  433    H    ARG  55           H        ARG  55 -17.172  -3.000   0.124
  434    HA   ARG  55           HA       ARG  55 -15.340  -1.124   1.312
  435    HB2  ARG  55           HB2      ARG  55 -15.196  -2.108   3.551
  436    HB3  ARG  55           HB3      ARG  55 -16.831  -1.496   3.263
  437    HG2  ARG  55           HG2      ARG  55 -17.515  -3.849   2.603
  438    HG3  ARG  55           HG3      ARG  55 -15.927  -4.400   3.164
  439    HD2  ARG  55           HD2      ARG  55 -18.017  -2.938   4.830
  440    HD3  ARG  55           HD3      ARG  55 -17.666  -4.675   4.891
  441    HE   ARG  55           HE       ARG  55 -15.248  -3.262   5.378
  442   HH11  ARG  55          HH11      ARG  55 -18.386  -3.844   6.912
  443   HH12  ARG  55          HH12      ARG  55 -17.761  -3.634   8.528
  444   HH21  ARG  55          HH21      ARG  55 -14.475  -2.973   7.487
  445   HH22  ARG  55          HH22      ARG  55 -15.546  -3.165   8.859
  446    H    GLY  56           H        GLY  56 -15.752  -3.536  -0.712
  447    HA2  GLY  56           HA2      GLY  56 -14.108  -5.678   0.208
  448    HA3  GLY  56           HA3      GLY  56 -14.581  -5.344  -1.472
  449    H    PHE  57           H        PHE  57 -13.276  -2.518  -0.853
  450    HA   PHE  57           HA       PHE  57 -10.452  -3.102  -0.580
  451    HB2  PHE  57           HB2      PHE  57  -9.774  -2.249  -2.740
  452    HB3  PHE  57           HB3      PHE  57 -10.682  -3.739  -2.880
  453    HD1  PHE  57           HD2      PHE  57 -13.250  -1.409  -2.375
  454    HD2  PHE  57           HD1      PHE  57 -10.267  -2.519  -5.277
  455    HE1  PHE  57           HE2      PHE  57 -14.616  -0.424  -4.142
  456    HE2  PHE  57           HE1      PHE  57 -11.655  -1.498  -7.075
  457    HZ   PHE  57           HZ       PHE  57 -13.819  -0.460  -6.519
  458    H    ALA  58           H        ALA  58  -9.170  -1.062  -0.875
  459    HA   ALA  58           HA       ALA  58 -10.683   1.420  -0.451
  460    HB1  ALA  58           HB1      ALA  58  -8.636   0.377   1.564
  461    HB2  ALA  58           HB2      ALA  58  -9.480   1.935   1.631
  462    HB3  ALA  58           HB3      ALA  58 -10.390   0.420   1.841
  463    H    PHE  59           H        PHE  59  -9.811   2.248  -2.332
  464    HA   PHE  59           HA       PHE  59  -7.122   1.714  -3.208
  465    HB2  PHE  59           HB2      PHE  59  -8.871   2.344  -4.765
  466    HB3  PHE  59           HB3      PHE  59  -9.135   3.871  -3.915
  467    HD1  PHE  59           HD2      PHE  59  -7.344   5.612  -3.889
  468    HD2  PHE  59           HD1      PHE  59  -7.196   2.209  -6.538
  469    HE1  PHE  59           HE2      PHE  59  -5.725   6.784  -5.304
  470    HE2  PHE  59           HE1      PHE  59  -5.540   3.383  -7.931
  471    HZ   PHE  59           HZ       PHE  59  -4.742   5.642  -7.305
  472    H    VAL  60           H        VAL  60  -5.320   2.364  -2.314
  473    HA   VAL  60           HA       VAL  60  -5.308   5.075  -1.060
  474    HB   VAL  60           HB       VAL  60  -3.824   4.386   0.599
  475   HG11  VAL  60          HG11      VAL  60  -5.224   1.737   0.166
  476   HG12  VAL  60          HG12      VAL  60  -4.716   2.503   1.691
  477   HG13  VAL  60          HG13      VAL  60  -6.069   3.187   0.759
  478   HG21  VAL  60          HG21      VAL  60  -2.050   3.461  -0.647
  479   HG22  VAL  60          HG22      VAL  60  -2.540   2.238   0.528
  480   HG23  VAL  60          HG23      VAL  60  -3.044   2.090  -1.189
  481    H    ARG  61           H        ARG  61  -3.060   6.131  -1.204
  482    HA   ARG  61           HA       ARG  61  -1.467   5.053  -3.424
  483    HB2  ARG  61           HB2      ARG  61  -1.663   6.759  -4.878
  484    HB3  ARG  61           HB3      ARG  61  -3.304   6.722  -4.217
  485    HG2  ARG  61           HG2      ARG  61  -2.510   8.573  -2.595
  486    HG3  ARG  61           HG3      ARG  61  -1.057   8.682  -3.614
  487    HD2  ARG  61           HD2      ARG  61  -3.944   9.212  -4.362
  488    HD3  ARG  61           HD3      ARG  61  -2.578  10.330  -4.452
  489    HE   ARG  61           HE       ARG  61  -1.681   8.697  -6.252
  490   HH11  ARG  61          HH11      ARG  61  -5.113   9.324  -5.684
  491   HH12  ARG  61          HH12      ARG  61  -5.596   8.757  -7.264
  492   HH21  ARG  61          HH21      ARG  61  -2.336   7.976  -8.295
  493   HH22  ARG  61          HH22      ARG  61  -4.023   8.048  -8.756
  494    H    PHE  62           H        PHE  62   0.632   5.188  -3.042
  495    HA   PHE  62           HA       PHE  62   1.722   6.963  -0.919
  496    HB2  PHE  62           HB2      PHE  62   2.815   4.696  -2.598
  497    HB3  PHE  62           HB3      PHE  62   3.858   5.725  -1.626
  498    HD1  PHE  62           HD1      PHE  62   0.790   3.576  -1.258
  499    HD2  PHE  62           HD2      PHE  62   4.359   5.162   0.547
  500    HE1  PHE  62           HE1      PHE  62   0.413   2.166   0.744
  501    HE2  PHE  62           HE2      PHE  62   3.983   3.752   2.540
  502    HZ   PHE  62           HZ       PHE  62   2.035   2.216   2.624
  503    H    HIS  63           H        HIS  63   3.924   7.934  -1.533
  504    HA   HIS  63           HA       HIS  63   3.800   9.113  -4.267
  505    HB2  HIS  63           HB2      HIS  63   5.068  10.902  -2.403
  506    HB3  HIS  63           HB3      HIS  63   3.688  11.189  -3.446
  507    HD2  HIS  63           HD2      HIS  63   4.076   9.311   0.030
  508    HE1  HIS  63           HE1      HIS  63   0.792  11.997   0.246
  509    HE2  HIS  63           HE2      HIS  63   2.176  10.287   1.525
  510    H    ASP  64           H        ASP  64   5.848   8.046  -1.556
  511    HA   ASP  64           HA       ASP  64   8.300   8.732  -3.035
  512    HB2  ASP  64           HB2      ASP  64   7.553   7.562  -0.360
  513    HB3  ASP  64           HB3      ASP  64   9.248   7.573  -0.917
  514    H    LYS  65           H        LYS  65   9.494   7.305  -4.209
  515    HA   LYS  65           HA       LYS  65   8.377   4.828  -5.036
  516    HB2  LYS  65           HB2      LYS  65   9.930   5.946  -6.477
  517    HB3  LYS  65           HB3      LYS  65  11.166   6.005  -5.212
  518    HG2  LYS  65           HG2      LYS  65  11.670   4.297  -6.921
  519    HG3  LYS  65           HG3      LYS  65  11.501   3.612  -5.313
  520    HD2  LYS  65           HD2      LYS  65  10.428   2.181  -6.973
  521    HD3  LYS  65           HD3      LYS  65   9.223   2.828  -5.852
  522    HE2  LYS  65           HE2      LYS  65   8.353   2.900  -8.108
  523    HE3  LYS  65           HE3      LYS  65   8.620   4.555  -7.541
  524    HZ1  LYS  65           HZ1      LYS  65  10.440   3.035  -9.291
  525    HZ2  LYS  65           HZ2      LYS  65   9.428   4.239  -9.772
  526    HZ3  LYS  65           HZ3      LYS  65  10.684   4.572  -8.768
  527    H    ARG  66           H        ARG  66  11.090   5.458  -2.713
  528    HA   ARG  66           HA       ARG  66  11.551   2.687  -2.290
  529    HB2  ARG  66           HB2      ARG  66  12.973   3.372  -0.471
  530    HB3  ARG  66           HB3      ARG  66  13.177   4.432  -1.863
  531    HG2  ARG  66           HG2      ARG  66  13.145   5.980  -0.173
  532    HG3  ARG  66           HG3      ARG  66  11.440   5.981  -0.632
  533    HD2  ARG  66           HD2      ARG  66  11.625   5.914   1.792
  534    HD3  ARG  66           HD3      ARG  66  11.002   4.351   1.238
  535    HE   ARG  66           HE       ARG  66  13.885   4.334   1.492
  536   HH11  ARG  66          HH11      ARG  66  10.860   4.100   3.307
  537   HH12  ARG  66          HH12      ARG  66  11.576   3.170   4.604
  538   HH21  ARG  66          HH21      ARG  66  14.789   3.113   3.199
  539   HH22  ARG  66          HH22      ARG  66  13.790   2.612   4.540
  540    H    ASP  67           H        ASP  67   9.173   4.856  -0.811
  541    HA   ASP  67           HA       ASP  67   8.547   2.894   1.286
  542    HB2  ASP  67           HB2      ASP  67   7.178   5.477   0.436
  543    HB3  ASP  67           HB3      ASP  67   6.754   4.497   1.854
  544    H    ALA  68           H        ALA  68   7.589   3.594  -2.005
  545    HA   ALA  68           HA       ALA  68   4.953   2.375  -1.822
  546    HB1  ALA  68           HB1      ALA  68   6.769   3.370  -4.056
  547    HB2  ALA  68           HB2      ALA  68   5.173   2.687  -4.368
  548    HB3  ALA  68           HB3      ALA  68   5.315   4.169  -3.410
  549    H    GLU  69           H        GLU  69   8.215   1.503  -3.153
  550    HA   GLU  69           HA       GLU  69   7.232  -1.112  -3.965
  551    HB2  GLU  69           HB2      GLU  69   9.531  -1.597  -4.556
  552    HB3  GLU  69           HB3      GLU  69   9.022  -0.037  -5.225
  553    HG2  GLU  69           HG2      GLU  69  10.308   1.182  -3.616
  554    HG3  GLU  69           HG3      GLU  69  10.555  -0.244  -2.609
  555    H    ASP  70           H        ASP  70   8.658   0.225  -0.977
  556    HA   ASP  70           HA       ASP  70   9.492  -2.381  -0.016
  557    HB2  ASP  70           HB2      ASP  70  10.490  -0.274   0.779
  558    HB3  ASP  70           HB3      ASP  70   8.915   0.203   1.466
  559    H    ALA  71           H        ALA  71   6.588  -0.281   0.533
  560    HA   ALA  71           HA       ALA  71   5.371  -2.078   2.384
  561    HB1  ALA  71           HB1      ALA  71   4.093  -0.068   0.473
  562    HB2  ALA  71           HB2      ALA  71   3.334  -0.766   1.918
  563    HB3  ALA  71           HB3      ALA  71   4.737   0.322   2.081
  564    H    MET  72           H        MET  72   5.469  -1.939  -1.150
  565    HA   MET  72           HA       MET  72   3.400  -3.928  -1.543
  566    HB2  MET  72           HB2      MET  72   3.820  -2.390  -3.300
  567    HB3  MET  72           HB3      MET  72   5.577  -2.621  -3.170
  568    HG2  MET  72           HG2      MET  72   5.503  -4.715  -4.237
  569    HG3  MET  72           HG3      MET  72   3.739  -4.843  -4.075
  570    HE1  MET  72           HE1      MET  72   5.149  -1.321  -5.021
  571    HE2  MET  72           HE2      MET  72   6.492  -2.366  -5.553
  572    HE3  MET  72           HE3      MET  72   5.503  -1.490  -6.749
  573    H    ASP  73           H        ASP  73   7.009  -3.946  -1.423
  574    HA   ASP  73           HA       ASP  73   7.080  -6.771  -2.018
  575    HB2  ASP  73           HB2      ASP  73   8.867  -5.150  -2.654
  576    HB3  ASP  73           HB3      ASP  73   9.253  -4.922  -0.945
  577    H    ALA  74           H        ALA  74   6.042  -5.204   0.714
  578    HA   ALA  74           HA       ALA  74   7.112  -7.326   2.513
  579    HB1  ALA  74           HB1      ALA  74   6.531  -4.422   3.132
  580    HB2  ALA  74           HB2      ALA  74   7.175  -5.609   4.287
  581    HB3  ALA  74           HB3      ALA  74   8.167  -5.113   2.896
  582    H    MET  75           H        MET  75   4.247  -5.976   1.186
  583    HA   MET  75           HA       MET  75   2.780  -7.449   3.326
  584    HB2  MET  75           HB2      MET  75   2.751  -4.679   3.181
  585    HB3  MET  75           HB3      MET  75   1.278  -5.169   2.303
  586    HG2  MET  75           HG2      MET  75   0.899  -6.793   4.285
  587    HG3  MET  75           HG3      MET  75   2.100  -5.835   5.146
  588    HE1  MET  75           HE1      MET  75   0.413  -2.270   5.185
  589    HE2  MET  75           HE2      MET  75   1.746  -3.264   5.811
  590    HE3  MET  75           HE3      MET  75   1.603  -2.955   4.059
  591    H    ASP  76           H        ASP  76   2.794  -6.501  -0.168
  592    HA   ASP  76           HA       ASP  76   0.206  -7.647  -0.651
  593    HB2  ASP  76           HB2      ASP  76   1.124  -6.372  -2.413
  594    HB3  ASP  76           HB3      ASP  76   2.686  -7.190  -2.337
  595    H    GLY  77           H        GLY  77  -0.470  -9.689  -0.910
  596    HA2  GLY  77           HA2      GLY  77  -0.407 -12.002  -1.072
  597    HA3  GLY  77           HA3      GLY  77   1.334 -11.917  -1.400
  598    H    ALA  78           H        ALA  78  -0.207 -10.517   1.495
  599    HA   ALA  78           HA       ALA  78   0.932 -12.705   3.167
  600    HB1  ALA  78           HB1      ALA  78   1.191  -9.718   3.691
  601    HB2  ALA  78           HB2      ALA  78   1.747 -11.033   4.753
  602    HB3  ALA  78           HB3      ALA  78   2.509 -10.794   3.162
  603    H    VAL  79           H        VAL  79  -1.284 -13.376   2.888
  604    HA   VAL  79           HA       VAL  79  -3.570 -11.955   3.065
  605    HB   VAL  79           HB       VAL  79  -3.302 -14.309   2.429
  606   HG11  VAL  79          HG11      VAL  79  -3.565 -14.866   5.410
  607   HG12  VAL  79          HG12      VAL  79  -3.537 -16.069   4.100
  608   HG13  VAL  79          HG13      VAL  79  -2.089 -15.098   4.449
  609   HG21  VAL  79          HG21      VAL  79  -5.464 -13.025   2.889
  610   HG22  VAL  79          HG22      VAL  79  -5.546 -14.813   2.771
  611   HG23  VAL  79          HG23      VAL  79  -5.592 -14.062   4.353
  612    H    LEU  80           H        LEU  80  -5.335 -12.092   4.395
  613    HA   LEU  80           HA       LEU  80  -4.789 -12.583   7.163
  614    HB2  LEU  80           HB2      LEU  80  -5.562 -10.430   8.033
  615    HB3  LEU  80           HB3      LEU  80  -4.470 -10.066   6.690
  616    HG   LEU  80           HG       LEU  80  -7.513  -9.977   6.732
  617   HD11  LEU  80          HD11      LEU  80  -6.294  -8.042   7.647
  618   HD12  LEU  80          HD12      LEU  80  -5.378  -7.895   6.131
  619   HD13  LEU  80          HD13      LEU  80  -7.137  -7.621   6.136
  620   HD21  LEU  80          HD21      LEU  80  -7.006 -10.894   4.542
  621   HD22  LEU  80          HD22      LEU  80  -7.336  -9.171   4.339
  622   HD23  LEU  80          HD23      LEU  80  -5.659  -9.756   4.318
  623    H    ASP  81           H        ASP  81  -7.013 -13.003   4.694
  624    HA   ASP  81           HA       ASP  81  -8.833 -14.194   6.630
  625    HB2  ASP  81           HB2      ASP  81  -9.472 -11.727   6.410
  626    HB3  ASP  81           HB3      ASP  81  -9.932 -12.094   4.736
  627    H    GLY  82           H        GLY  82  -7.184 -14.577   3.879
  628    HA2  GLY  82           HA2      GLY  82  -7.487 -16.385   2.371
  629    HA3  GLY  82           HA3      GLY  82  -9.234 -16.377   2.693
  630    H    ARG  83           H        ARG  83  -7.797 -13.290   2.192
  631    HA   ARG  83           HA       ARG  83  -8.221 -13.177  -0.713
  632    HB2  ARG  83           HB2      ARG  83  -9.707 -11.220  -0.537
  633    HB3  ARG  83           HB3      ARG  83 -10.484 -12.684   0.088
  634    HG2  ARG  83           HG2      ARG  83 -10.355 -11.960   2.325
  635    HG3  ARG  83           HG3      ARG  83  -9.032 -10.823   1.995
  636    HD2  ARG  83           HD2      ARG  83 -11.035  -9.499   2.220
  637    HD3  ARG  83           HD3      ARG  83 -10.551  -9.527   0.511
  638    HE   ARG  83           HE       ARG  83 -12.452 -11.627   1.157
  639   HH11  ARG  83          HH11      ARG  83 -12.174  -8.192   0.339
  640   HH12  ARG  83          HH12      ARG  83 -13.778  -8.119  -0.355
  641   HH21  ARG  83          HH21      ARG  83 -14.560 -11.474   0.292
  642   HH22  ARG  83          HH22      ARG  83 -15.123  -9.948  -0.346
  643    H    GLU  84           H        GLU  84  -5.978 -13.254  -0.070
  644    HA   GLU  84           HA       GLU  84  -4.765 -11.536   1.659
  645    HB2  GLU  84           HB2      GLU  84  -3.164 -12.367  -0.711
  646    HB3  GLU  84           HB3      GLU  84  -2.837 -12.487   1.043
  647    HG2  GLU  84           HG2      GLU  84  -3.151 -14.720   0.440
  648    HG3  GLU  84           HG3      GLU  84  -4.731 -14.218   1.065
  649    H    LEU  85           H        LEU  85  -4.113  -9.699   1.800
  650    HA   LEU  85           HA       LEU  85  -4.760  -7.506   0.332
  651    HB2  LEU  85           HB2      LEU  85  -2.477  -6.561   1.216
  652    HB3  LEU  85           HB3      LEU  85  -3.914  -6.830   2.234
  653    HG   LEU  85           HG       LEU  85  -1.648  -8.836   2.076
  654   HD11  LEU  85          HD11      LEU  85  -2.209  -6.561   4.016
  655   HD12  LEU  85          HD12      LEU  85  -0.939  -7.794   4.201
  656   HD13  LEU  85          HD13      LEU  85  -0.868  -6.625   2.850
  657   HD21  LEU  85          HD21      LEU  85  -4.188  -8.387   3.650
  658   HD22  LEU  85          HD22      LEU  85  -3.483  -9.935   3.095
  659   HD23  LEU  85          HD23      LEU  85  -2.804  -9.109   4.503
  660    H    ARG  86           H        ARG  86  -4.138  -6.356  -1.350
  661    HA   ARG  86           HA       ARG  86  -1.869  -7.338  -3.021
  662    HB2  ARG  86           HB2      ARG  86  -4.737  -6.713  -3.842
  663    HB3  ARG  86           HB3      ARG  86  -3.378  -6.775  -4.984
  664    HG2  ARG  86           HG2      ARG  86  -4.484  -9.067  -3.308
  665    HG3  ARG  86           HG3      ARG  86  -4.535  -8.869  -5.068
  666    HD2  ARG  86           HD2      ARG  86  -1.928  -8.744  -4.886
  667    HD3  ARG  86           HD3      ARG  86  -2.171  -9.533  -3.312
  668    HE   ARG  86           HE       ARG  86  -2.446 -10.681  -5.974
  669   HH11  ARG  86          HH11      ARG  86  -3.585 -10.991  -2.632
  670   HH12  ARG  86          HH12      ARG  86  -3.818 -12.717  -2.770
  671   HH21  ARG  86          HH21      ARG  86  -2.844 -12.915  -6.117
  672   HH22  ARG  86          HH22      ARG  86  -3.471 -13.781  -4.731
  673    H    VAL  87           H        VAL  87  -0.540  -5.769  -3.586
  674    HA   VAL  87           HA       VAL  87  -1.494  -2.987  -3.800
  675    HB   VAL  87           HB       VAL  87  -0.888  -2.947  -1.534
  676   HG11  VAL  87          HG11      VAL  87   1.617  -4.478  -2.187
  677   HG12  VAL  87          HG12      VAL  87   1.243  -3.726  -0.620
  678   HG13  VAL  87          HG13      VAL  87   0.202  -5.027  -1.215
  679   HG21  VAL  87          HG21      VAL  87   0.159  -1.095  -2.796
  680   HG22  VAL  87          HG22      VAL  87   1.182  -1.585  -1.433
  681   HG23  VAL  87          HG23      VAL  87   1.606  -2.093  -3.081
  682    H    GLN  88           H        GLN  88  -0.821  -2.176  -5.579
  683    HA   GLN  88           HA       GLN  88   1.857  -2.610  -6.693
  684    HB2  GLN  88           HB2      GLN  88  -0.694  -3.497  -8.128
  685    HB3  GLN  88           HB3      GLN  88   0.896  -3.312  -8.888
  686    HG2  GLN  88           HG2      GLN  88   1.806  -5.035  -7.303
  687    HG3  GLN  88           HG3      GLN  88   0.164  -5.267  -6.677
  688   HE21  GLN  88          HE22      GLN  88   0.505  -7.538  -7.332
  689   HE22  GLN  88          HE21      GLN  88   0.156  -7.977  -8.993
  690    H    MET  89           H        MET  89   2.083  -1.285  -8.690
  691    HA   MET  89           HA       MET  89   1.593   1.377  -8.054
  692    HB2  MET  89           HB2      MET  89   2.337   0.007 -10.650
  693    HB3  MET  89           HB3      MET  89   2.498   1.755 -10.364
  694    HG2  MET  89           HG2      MET  89   3.681  -0.232  -8.395
  695    HG3  MET  89           HG3      MET  89   4.544   0.132  -9.862
  696    HE1  MET  89           HE1      MET  89   5.332   0.590  -6.636
  697    HE2  MET  89           HE2      MET  89   6.449   0.673  -8.024
  698    HE3  MET  89           HE3      MET  89   6.361   2.017  -6.862
  699    H    ALA  90           H        ALA  90   0.582   3.025  -9.471
  700    HA   ALA  90           HA       ALA  90  -2.024   2.148 -10.659
  701    HB1  ALA  90           HB1      ALA  90  -3.073   4.101  -9.575
  702    HB2  ALA  90           HB2      ALA  90  -2.479   2.896  -8.414
  703    HB3  ALA  90           HB3      ALA  90  -1.567   4.406  -8.690
  704    H    ARG  91           H        ARG  91  -2.758   3.301 -12.371
  705    HA   ARG  91           HA       ARG  91  -1.344   5.725 -13.300
  706    HB2  ARG  91           HB2      ARG  91  -1.473   3.166 -14.947
  707    HB3  ARG  91           HB3      ARG  91  -0.888   4.733 -15.518
  708    HG2  ARG  91           HG2      ARG  91   0.936   4.661 -13.823
  709    HG3  ARG  91           HG3      ARG  91   0.376   3.054 -13.316
  710    HD2  ARG  91           HD2      ARG  91   0.698   2.221 -15.642
  711    HD3  ARG  91           HD3      ARG  91   1.304   3.812 -16.113
  712    HE   ARG  91           HE       ARG  91   3.323   3.383 -15.025
  713   HH11  ARG  91          HH11      ARG  91   0.976   0.855 -14.235
  714   HH12  ARG  91          HH12      ARG  91   2.175  -0.198 -13.523
  715   HH21  ARG  91          HH21      ARG  91   4.855   2.013 -14.068
  716   HH22  ARG  91          HH22      ARG  91   4.364   0.471 -13.407
  717    H    TYR  92           H        TYR  92  -4.159   4.063 -12.771
  718    HA   TYR  92           HA       TYR  92  -5.564   4.534 -15.257
  719    HB2  TYR  92           HB2      TYR  92  -6.370   3.567 -12.520
  720    HB3  TYR  92           HB3      TYR  92  -7.501   3.702 -13.879
  721    HD1  TYR  92           HD2      TYR  92  -4.515   2.712 -15.418
  722    HD2  TYR  92           HD1      TYR  92  -7.612   1.259 -12.816
  723    HE1  TYR  92           HE2      TYR  92  -3.980   0.388 -16.090
  724    HE2  TYR  92           HE1      TYR  92  -7.074  -1.072 -13.460
  725    HH   TYR  92           HH       TYR  92  -5.738  -2.434 -14.759
  726    H    GLY  93           H        GLY  93  -4.723   7.049 -14.735
  727    HA2  GLY  93           HA2      GLY  93  -5.459   9.214 -14.472
  728    HA3  GLY  93           HA3      GLY  93  -7.029   8.565 -14.954
  729    H    ARG  94           H        ARG  94  -8.151  10.060 -13.579
  730    HA   ARG  94           HA       ARG  94  -8.526   8.974 -10.883
  731    HB2  ARG  94           HB2      ARG  94  -8.199  11.066  -9.728
  732    HB3  ARG  94           HB3      ARG  94  -6.726  10.721 -10.637
  733    HG2  ARG  94           HG2      ARG  94  -7.568  12.251 -12.470
  734    HG3  ARG  94           HG3      ARG  94  -8.939  12.663 -11.424
  735    HD2  ARG  94           HD2      ARG  94  -5.991  13.090 -10.784
  736    HD3  ARG  94           HD3      ARG  94  -7.156  14.340 -11.264
  737    HE   ARG  94           HE       ARG  94  -7.754  12.758  -8.831
  738   HH11  ARG  94          HH11      ARG  94  -6.680  15.821 -10.247
  739   HH12  ARG  94          HH12      ARG  94  -6.877  16.705  -8.751
  740   HH21  ARG  94          HH21      ARG  94  -7.978  13.939  -6.907
  741   HH22  ARG  94          HH22      ARG  94  -7.553  15.637  -6.861
  742    HA   PRO  95           HA       PRO  95 -12.806   9.543 -11.385
  743    HB2  PRO  95           HB2      PRO  95 -12.496  11.650  -9.233
  744    HB3  PRO  95           HB3      PRO  95 -13.874  10.529  -9.492
  745    HG2  PRO  95           HG2      PRO  95 -11.922   9.856  -7.755
  746    HG3  PRO  95           HG3      PRO  95 -12.503   8.634  -8.926
  747    HD2  PRO  95           HD2      PRO  95  -9.954  10.216  -8.962
  748    HD3  PRO  95           HD3      PRO  95 -10.271   8.568  -9.562
  749    HA   PRO  96           HA       PRO  96 -13.013  13.301 -13.986
  750    HB2  PRO  96           HB2      PRO  96 -14.105  12.147 -16.175
  751    HB3  PRO  96           HB3      PRO  96 -12.361  11.921 -15.797
  752    HG2  PRO  96           HG2      PRO  96 -14.669  10.037 -15.213
  753    HG3  PRO  96           HG3      PRO  96 -13.078   9.646 -15.944
  754    HD2  PRO  96           HD2      PRO  96 -13.668   9.337 -13.251
  755    HD3  PRO  96           HD3      PRO  96 -12.025   9.661 -13.871
  756    H    ASP  97           H        ASP  97 -15.229  10.734 -13.071
  757    HA   ASP  97           HA       ASP  97 -17.431  12.603 -12.593
  758    HB2  ASP  97           HB2      ASP  97 -19.010  11.172 -13.835
  759    HB3  ASP  97           HB3      ASP  97 -17.782  11.883 -14.899
  760    H    SER  98           H        SER  98 -19.350  10.650 -11.898
  761    HA   SER  98           HA       SER  98 -17.868   9.037  -9.874
  762    HB2  SER  98           HB2      SER  98 -19.728   9.544  -8.270
  763    HB3  SER  98           HB3      SER  98 -18.738  10.950  -8.721
  764    HG   SER  98           HG       SER  98 -20.978  11.393  -8.798
  765    H    HIS  99           H        HIS  99 -21.371   9.324 -10.602
  766    HA   HIS  99           HA       HIS  99 -21.462   6.638 -11.728
  767    HB2  HIS  99           HB2      HIS  99 -21.110   6.302  -9.251
  768    HB3  HIS  99           HB3      HIS  99 -22.626   7.144  -8.951
  769    HD2  HIS  99           HD2      HIS  99 -21.518   4.141 -11.222
  770    HE1  HIS  99           HE1      HIS  99 -25.167   3.058  -9.327
  771    HE2  HIS  99           HE2      HIS  99 -23.337   2.281 -10.920
  772    H    HIS 100           H        HIS 100 -22.388   9.583 -12.060
  773    HA   HIS 100           HA       HIS 100 -25.233   8.951 -12.657
  774    HB2  HIS 100           HB2      HIS 100 -24.217  11.508 -11.360
  775    HB3  HIS 100           HB3      HIS 100 -25.893  11.147 -11.785
  776    HD2  HIS 100           HD2      HIS 100 -26.854   8.748 -10.478
  777    HE1  HIS 100           HE1      HIS 100 -24.577   9.546  -6.978
  778    HE2  HIS 100           HE2      HIS 100 -26.515   8.208  -7.932
  779    H    SER 101           H        SER 101 -22.434   9.486 -14.084
  780    HA   SER 101           HA       SER 101 -23.598  11.075 -16.283
  781    HB2  SER 101           HB2      SER 101 -20.931  11.701 -14.947
  782    HB3  SER 101           HB3      SER 101 -21.550  12.454 -16.427
  783    HG   SER 101           HG       SER 101 -21.994  13.701 -14.556
  784    H5'    U 102           H5'        U 102 -11.677  -5.623 -12.706
  785   H5''    U 102          H5''        U 102 -13.202  -4.846 -12.210
  786    H4'    U 102           H4'        U 102 -10.455  -3.898 -11.285
  787    H3'    U 102           H3'        U 102 -11.545  -6.357 -10.580
  788    H2'    U 102           H2'        U 102 -13.612  -5.449  -9.825
  789   HO2'    U 102          HO2'        U 102 -12.632  -6.628  -8.076
  790    H1'    U 102           H1'        U 102 -12.058  -3.243  -8.487
  791    H3     U 102           H3         U 102 -16.813  -1.825 -10.241
  792    H5     U 102           H5         U 102 -16.081  -2.893  -6.241
  793    H6     U 102           H6         U 102 -13.861  -3.647  -6.932
  794   HO5'    U 102          HO5'        U 102 -12.389  -4.005 -14.192
  795    H5'    G 103           H5'        G 103  -7.727  -3.475  -7.870
  796   H5''    G 103          H5''        G 103  -9.483  -3.258  -7.965
  797    H4'    G 103           H4'        G 103  -8.478  -1.120  -7.656
  798    H3'    G 103           H3'        G 103  -9.845  -1.627 -10.235
  799    H2'    G 103           H2'        G 103  -8.239  -0.470 -11.376
  800   HO2'    G 103          HO2'        G 103  -9.901   1.226 -10.859
  801    H1'    G 103           H1'        G 103  -7.402   0.730  -8.734
  802    H8     G 103           H8         G 103  -6.218   2.671 -10.002
  803    H1     G 103           H1         G 103  -2.366  -1.473 -13.041
  804    H21    G 103           H21        G 103  -3.099  -3.554 -12.690
  805    H22    G 103           H22        G 103  -4.524  -3.870 -11.721
  806    H5'    G 104           H5'        G 104 -11.031   3.217  -9.594
  807   H5''    G 104          H5''        G 104  -9.951   2.478  -8.384
  808    H4'    G 104           H4'        G 104 -12.176   3.468  -6.952
  809    H3'    G 104           H3'        G 104 -11.239   5.329  -9.141
  810    H2'    G 104           H2'        G 104 -11.256   7.157  -7.721
  811   HO2'    G 104          HO2'        G 104 -13.398   6.622  -6.853
  812    H1'    G 104           H1'        G 104 -10.362   5.860  -5.457
  813    H8     G 104           H8         G 104  -8.721   7.796  -5.587
  814    H1     G 104           H1         G 104  -6.339   5.633 -11.149
  815    H21    G 104           H21        G 104  -7.770   4.134 -12.015
  816    H22    G 104           H22        G 104  -9.113   3.514 -11.075
  817    H5'    A 105           H5'        A 105 -16.212   7.745  -9.680
  818   H5''    A 105          H5''        A 105 -14.756   8.710  -9.918
  819    H4'    A 105           H4'        A 105 -15.769  10.170  -8.553
  820    H3'    A 105           H3'        A 105 -14.004   8.720  -7.020
  821    H2'    A 105           H2'        A 105 -15.351   7.130  -6.120
  822   HO2'    A 105          HO2'        A 105 -14.844   8.566  -4.337
  823    H1'    A 105           H1'        A 105 -17.834   8.662  -5.824
  824    H8     A 105           H8         A 105 -16.100   5.816  -7.751
  825    H61    A 105           H61        A 105 -21.478   2.765  -7.170
  826    H62    A 105           H62        A 105 -19.856   2.667  -7.823
  827    H2     A 105           H2         A 105 -21.907   6.722  -5.230
  828    H5'    G 106           H5'        G 106 -16.117  11.018  -3.602
  829   H5''    G 106          H5''        G 106 -17.338  12.278  -3.848
  830    H4'    G 106           H4'        G 106 -16.361  12.646  -1.709
  831    H3'    G 106           H3'        G 106 -16.380  14.754  -3.444
  832    H2'    G 106           H2'        G 106 -14.316  14.461  -4.472
  833   HO2'    G 106          HO2'        G 106 -14.114  16.432  -3.385
  834    H1'    G 106           H1'        G 106 -12.795  13.631  -2.066
  835    H8     G 106           H8         G 106 -13.489  13.296  -5.788
  836    H1     G 106           H1         G 106  -8.655   9.688  -3.598
  837    H21    G 106           H21        G 106  -8.692   9.674  -1.385
  838    H22    G 106           H22        G 106  -9.857  10.612  -0.471
  839    H5'    U 107           H5'        U 107 -14.686  17.255  -1.465
  840   H5''    U 107          H5''        U 107 -15.568  18.749  -1.153
  841    H4'    U 107           H4'        U 107 -13.815  18.571  -3.152
  842    H3'    U 107           H3'        U 107 -15.650  20.466  -2.616
  843   HO3'    U 107          HO3'        U 107 -15.076  21.404  -4.640
  844    H2'    U 107           H2'        U 107 -17.386  19.017  -3.368
  845   HO2'    U 107          HO2'        U 107 -18.257  20.136  -5.210
  846    H1'    U 107           H1'        U 107 -15.739  18.775  -5.901
  847    H3     U 107           H3         U 107 -18.294  15.990  -8.315
  848    H5     U 107           H5         U 107 -20.034  15.776  -4.492
  849    H6     U 107           H6         U 107 -18.250  17.196  -3.666
  Start of MODEL   18
    1    H    MET   1           H1       MET   1 -17.059  15.260   6.956
    2    HA   MET   1           HA       MET   1 -16.882  15.088   4.583
    3    HB2  MET   1           HB2      MET   1 -16.406  18.094   4.766
    4    HB3  MET   1           HB3      MET   1 -16.128  17.100   3.328
    5    HG2  MET   1           HG2      MET   1 -18.513  16.444   3.310
    6    HG3  MET   1           HG3      MET   1 -18.793  17.422   4.757
    7    HE1  MET   1           HE1      MET   1 -17.801  19.064   0.543
    8    HE2  MET   1           HE2      MET   1 -16.562  18.285   1.551
    9    HE3  MET   1           HE3      MET   1 -17.961  17.349   0.970
   10    H    SER   2           H        SER   2 -14.864  14.525   3.754
   11    HA   SER   2           HA       SER   2 -12.424  15.533   5.060
   12    HB2  SER   2           HB2      SER   2 -11.682  13.274   5.644
   13    HB3  SER   2           HB3      SER   2 -13.188  13.686   6.498
   14    HG   SER   2           HG       SER   2 -14.330  12.483   4.969
   15    H    TYR   3           H        TYR   3 -10.504  14.945   3.924
   16    HA   TYR   3           HA       TYR   3  -9.316  15.040   2.014
   17    HB2  TYR   3           HB2      TYR   3 -10.905  12.553   1.319
   18    HB3  TYR   3           HB3      TYR   3  -9.323  13.006   0.699
   19    HD1  TYR   3           HD2      TYR   3 -11.159  12.132   3.802
   20    HD2  TYR   3           HD1      TYR   3  -7.350  12.384   1.852
   21    HE1  TYR   3           HE2      TYR   3 -10.104  10.883   5.704
   22    HE2  TYR   3           HE1      TYR   3  -6.284  11.157   3.727
   23    HH   TYR   3           HH       TYR   3  -6.607  10.121   5.747
   24    H    GLY   4           H        GLY   4 -11.955  16.518   1.844
   25    HA2  GLY   4           HA2      GLY   4 -13.250  16.044  -0.601
   26    HA3  GLY   4           HA3      GLY   4 -13.191  17.606   0.227
   27    H    ARG   5           H        ARG   5 -10.442  18.250   0.058
   28    HA   ARG   5           HA       ARG   5  -9.459  17.787  -2.606
   29    HB2  ARG   5           HB2      ARG   5  -9.621  20.120  -3.430
   30    HB3  ARG   5           HB3      ARG   5 -11.101  19.167  -3.410
   31    HG2  ARG   5           HG2      ARG   5 -11.816  20.248  -1.325
   32    HG3  ARG   5           HG3      ARG   5 -10.334  21.249  -1.312
   33    HD2  ARG   5           HD2      ARG   5 -12.241  21.053  -3.642
   34    HD3  ARG   5           HD3      ARG   5 -12.456  22.269  -2.350
   35    HE   ARG   5           HE       ARG   5  -9.809  22.520  -3.300
   36   HH11  ARG   5          HH11      ARG   5 -13.087  22.901  -4.540
   37   HH12  ARG   5          HH12      ARG   5 -12.639  24.128  -5.709
   38   HH21  ARG   5          HH21      ARG   5  -9.239  24.123  -4.821
   39   HH22  ARG   5          HH22      ARG   5 -10.457  24.822  -5.861
   40    HA   PRO   6           HA       PRO   6  -6.508  19.884   0.492
   41    HB2  PRO   6           HB2      PRO   6  -5.135  17.705   1.480
   42    HB3  PRO   6           HB3      PRO   6  -6.572  18.412   2.284
   43    HG2  PRO   6           HG2      PRO   6  -6.456  16.031   0.413
   44    HG3  PRO   6           HG3      PRO   6  -7.310  16.157   1.988
   45    HD2  PRO   6           HD2      PRO   6  -8.591  16.504  -0.396
   46    HD3  PRO   6           HD3      PRO   6  -9.013  17.490   1.051
   47    HA   PRO   7           HA       PRO   7  -4.376  19.426  -3.336
   48    HB2  PRO   7           HB2      PRO   7  -2.252  21.120  -2.970
   49    HB3  PRO   7           HB3      PRO   7  -3.940  21.679  -3.179
   50    HG2  PRO   7           HG2      PRO   7  -2.433  21.284  -0.579
   51    HG3  PRO   7           HG3      PRO   7  -3.417  22.698  -1.091
   52    HD2  PRO   7           HD2      PRO   7  -4.438  20.752   0.516
   53    HD3  PRO   7           HD3      PRO   7  -5.439  21.522  -0.754
   54    HA   PRO   8           HA       PRO   8  -1.168  16.411  -2.190
   55    HB2  PRO   8           HB2      PRO   8  -1.637  14.615  -4.090
   56    HB3  PRO   8           HB3      PRO   8  -2.912  14.913  -2.857
   57    HG2  PRO   8           HG2      PRO   8  -2.707  16.138  -5.639
   58    HG3  PRO   8           HG3      PRO   8  -4.120  15.288  -4.911
   59    HD2  PRO   8           HD2      PRO   8  -3.773  18.033  -4.857
   60    HD3  PRO   8           HD3      PRO   8  -4.644  17.126  -3.587
   61    H    ASP   9           H        ASP   9   0.223  15.147  -4.227
   62    HA   ASP   9           HA       ASP   9   1.041  17.204  -6.177
   63    HB2  ASP   9           HB2      ASP   9   2.525  17.357  -4.165
   64    HB3  ASP   9           HB3      ASP   9   3.011  15.677  -4.439
   65    H    VAL  10           H        VAL  10  -0.619  14.876  -6.386
   66    HA   VAL  10           HA       VAL  10   0.641  12.543  -7.292
   67    HB   VAL  10           HB       VAL  10  -1.524  12.076  -8.423
   68   HG11  VAL  10          HG11      VAL  10  -2.989  12.219  -6.431
   69   HG12  VAL  10          HG12      VAL  10  -1.370  11.619  -6.031
   70   HG13  VAL  10          HG13      VAL  10  -1.824  13.304  -5.656
   71   HG21  VAL  10          HG21      VAL  10  -3.353  13.727  -8.294
   72   HG22  VAL  10          HG22      VAL  10  -2.246  14.922  -7.579
   73   HG23  VAL  10          HG23      VAL  10  -2.005  14.361  -9.250
   74    H    GLU  11           H        GLU  11   1.067  15.508  -8.717
   75    HA   GLU  11           HA       GLU  11   1.195  14.401 -11.475
   76    HB2  GLU  11           HB2      GLU  11   1.234  17.281 -10.492
   77    HB3  GLU  11           HB3      GLU  11   1.248  16.751 -12.184
   78    HG2  GLU  11           HG2      GLU  11  -0.942  15.604 -11.802
   79    HG3  GLU  11           HG3      GLU  11  -0.960  16.232 -10.149
   80    H    GLY  12           H        GLY  12   3.119  14.482  -8.891
   81    HA2  GLY  12           HA2      GLY  12   5.564  14.542 -10.486
   82    HA3  GLY  12           HA3      GLY  12   5.426  15.826  -9.255
   83    H    MET  13           H        MET  13   3.811  12.832  -8.509
   84    HA   MET  13           HA       MET  13   6.160  11.812  -7.025
   85    HB2  MET  13           HB2      MET  13   5.078  11.785  -4.924
   86    HB3  MET  13           HB3      MET  13   4.821  13.407  -5.585
   87    HG2  MET  13           HG2      MET  13   2.570  12.524  -6.449
   88    HG3  MET  13           HG3      MET  13   2.861  11.096  -5.448
   89    HE1  MET  13           HE1      MET  13   0.887  11.098  -3.909
   90    HE2  MET  13           HE2      MET  13   0.187  12.545  -3.168
   91    HE3  MET  13           HE3      MET  13   0.192  12.373  -4.939
   92    H    THR  14           H        THR  14   5.593   9.611  -5.972
   93    HA   THR  14           HA       THR  14   4.673   7.835  -8.000
   94    HB   THR  14           HB       THR  14   5.177   7.453  -5.018
   95   HG21  THR  14          HG21      THR  14   5.544   5.055  -5.604
   96   HG22  THR  14          HG22      THR  14   3.855   5.532  -5.734
   97   HG23  THR  14          HG23      THR  14   4.845   5.357  -7.208
   98    H    SER  15           H        SER  15   2.906   6.218  -7.621
   99    HA   SER  15           HA       SER  15   0.577   7.205  -6.123
  100    HB2  SER  15           HB2      SER  15   0.620   6.873  -9.148
  101    HB3  SER  15           HB3      SER  15  -0.876   6.909  -8.187
  102    HG   SER  15           HG       SER  15   1.075   8.955  -8.282
  103    H    LEU  16           H        LEU  16   1.777   5.174  -5.142
  104    HA   LEU  16           HA       LEU  16   1.343   2.616  -6.381
  105    HB2  LEU  16           HB2      LEU  16   2.797   3.162  -4.323
  106    HB3  LEU  16           HB3      LEU  16   1.267   3.211  -3.406
  107    HG   LEU  16           HG       LEU  16   0.825   0.831  -4.176
  108   HD11  LEU  16          HD11      LEU  16   3.791   0.938  -4.878
  109   HD12  LEU  16          HD12      LEU  16   2.724  -0.484  -4.930
  110   HD13  LEU  16          HD13      LEU  16   2.480   0.857  -6.073
  111   HD21  LEU  16          HD21      LEU  16   2.385  -0.126  -2.508
  112   HD22  LEU  16          HD22      LEU  16   3.285   1.407  -2.491
  113   HD23  LEU  16          HD23      LEU  16   1.598   1.358  -1.922
  114    H    LYS  17           H        LYS  17  -0.379   1.045  -5.908
  115    HA   LYS  17           HA       LYS  17  -2.770   2.243  -4.610
  116    HB2  LYS  17           HB2      LYS  17  -4.228   1.462  -6.203
  117    HB3  LYS  17           HB3      LYS  17  -2.871   2.033  -7.194
  118    HG2  LYS  17           HG2      LYS  17  -2.044  -0.350  -7.285
  119    HG3  LYS  17           HG3      LYS  17  -3.513  -0.831  -6.385
  120    HD2  LYS  17           HD2      LYS  17  -4.890   0.158  -8.240
  121    HD3  LYS  17           HD3      LYS  17  -3.379   0.426  -9.139
  122    HE2  LYS  17           HE2      LYS  17  -4.103  -1.666  -9.932
  123    HE3  LYS  17           HE3      LYS  17  -2.897  -2.089  -8.711
  124    HZ1  LYS  17           HZ1      LYS  17  -5.829  -2.094  -8.370
  125    HZ2  LYS  17           HZ2      LYS  17  -4.848  -3.407  -8.420
  126    HZ3  LYS  17           HZ3      LYS  17  -4.767  -2.364  -7.154
  127    H    VAL  18           H        VAL  18  -3.889   0.935  -3.214
  128    HA   VAL  18           HA       VAL  18  -2.968  -1.909  -3.005
  129    HB   VAL  18           HB       VAL  18  -2.826  -1.872  -0.724
  130   HG11  VAL  18          HG11      VAL  18  -2.178   1.044  -1.347
  131   HG12  VAL  18          HG12      VAL  18  -1.597   0.102   0.039
  132   HG13  VAL  18          HG13      VAL  18  -1.084  -0.337  -1.604
  133   HG21  VAL  18          HG21      VAL  18  -3.871  -0.058   0.686
  134   HG22  VAL  18          HG22      VAL  18  -4.744   0.461  -0.781
  135   HG23  VAL  18          HG23      VAL  18  -4.999  -1.168  -0.123
  136    H    ASP  19           H        ASP  19  -4.630  -3.383  -2.345
  137    HA   ASP  19           HA       ASP  19  -7.430  -2.471  -2.238
  138    HB2  ASP  19           HB2      ASP  19  -6.361  -4.373  -4.361
  139    HB3  ASP  19           HB3      ASP  19  -8.057  -3.954  -4.105
  140    H    ASN  20           H        ASN  20  -8.733  -4.788  -2.412
  141    HA   ASN  20           HA       ASN  20  -9.080  -6.928  -1.801
  142    HB2  ASN  20           HB2      ASN  20  -6.260  -6.898  -2.026
  143    HB3  ASN  20           HB3      ASN  20  -6.595  -7.664  -0.477
  144   HD21  ASN  20          HD22      ASN  20  -6.007  -9.713  -1.035
  145   HD22  ASN  20          HD21      ASN  20  -6.822 -10.660  -2.263
  146    H    LEU  21           H        LEU  21  -9.519  -4.590  -0.065
  147    HA   LEU  21           HA       LEU  21  -8.916  -4.983   2.637
  148    HB2  LEU  21           HB2      LEU  21 -11.343  -3.830   1.219
  149    HB3  LEU  21           HB3      LEU  21 -11.195  -3.813   2.963
  150    HG   LEU  21           HG       LEU  21 -10.477  -1.728   1.553
  151   HD11  LEU  21          HD11      LEU  21 -10.343  -1.983   3.995
  152   HD12  LEU  21          HD12      LEU  21  -8.774  -2.808   3.814
  153   HD13  LEU  21          HD13      LEU  21  -8.957  -1.096   3.337
  154   HD21  LEU  21          HD21      LEU  21  -8.792  -2.862   0.101
  155   HD22  LEU  21          HD22      LEU  21  -8.044  -1.618   1.122
  156   HD23  LEU  21          HD23      LEU  21  -7.870  -3.314   1.559
  157    H    THR  22           H        THR  22  -9.401  -6.509   4.053
  158    HA   THR  22           HA       THR  22 -11.143  -8.685   3.312
  159    HB   THR  22           HB       THR  22  -9.861  -8.074   6.011
  160   HG21  THR  22          HG21      THR  22  -9.667 -10.600   6.059
  161   HG22  THR  22          HG22      THR  22 -11.329  -9.985   6.172
  162   HG23  THR  22          HG23      THR  22 -10.721 -10.649   4.631
  163    H    TYR  23           H        TYR  23 -12.841  -9.459   4.983
  164    HA   TYR  23           HA       TYR  23 -14.924  -7.533   5.128
  165    HB2  TYR  23           HB2      TYR  23 -16.144  -9.338   6.240
  166    HB3  TYR  23           HB3      TYR  23 -15.251  -9.953   4.849
  167    HD1  TYR  23           HD2      TYR  23 -13.247 -11.380   5.158
  168    HD2  TYR  23           HD1      TYR  23 -15.568 -10.012   8.516
  169    HE1  TYR  23           HE2      TYR  23 -12.151 -13.066   6.606
  170    HE2  TYR  23           HE1      TYR  23 -14.461 -11.683   9.968
  171    HH   TYR  23           HH       TYR  23 -12.927 -13.387  10.091
  172    H    ARG  24           H        ARG  24 -12.258  -7.270   6.891
  173    HA   ARG  24           HA       ARG  24 -13.624  -6.453   9.404
  174    HB2  ARG  24           HB2      ARG  24 -11.796  -7.532  10.659
  175    HB3  ARG  24           HB3      ARG  24 -12.615  -8.715   9.621
  176    HG2  ARG  24           HG2      ARG  24 -10.830  -8.279   7.860
  177    HG3  ARG  24           HG3      ARG  24  -9.956  -7.325   9.083
  178    HD2  ARG  24           HD2      ARG  24  -9.905  -9.316  10.547
  179    HD3  ARG  24           HD3      ARG  24 -10.774 -10.233   9.292
  180    HE   ARG  24           HE       ARG  24  -8.739  -9.600   7.804
  181   HH11  ARG  24          HH11      ARG  24  -8.519 -10.264  11.268
  182   HH12  ARG  24          HH12      ARG  24  -6.840 -10.757  11.175
  183   HH21  ARG  24          HH21      ARG  24  -6.589 -10.254   7.711
  184   HH22  ARG  24          HH22      ARG  24  -5.755 -10.760   9.164
  185    H    THR  25           H        THR  25 -12.375  -5.108   6.883
  186    HA   THR  25           HA       THR  25 -10.315  -3.496   8.325
  187    HB   THR  25           HB       THR  25 -10.291  -3.944   5.331
  188   HG21  THR  25          HG21      THR  25  -8.782  -2.232   6.237
  189   HG22  THR  25          HG22      THR  25  -8.176  -3.369   7.463
  190   HG23  THR  25          HG23      THR  25  -7.837  -3.647   5.734
  191    H    SER  26           H        SER  26  -9.935  -1.309   7.306
  192    HA   SER  26           HA       SER  26 -12.255  -0.030   6.035
  193    HB2  SER  26           HB2      SER  26 -12.608   1.510   7.905
  194    HB3  SER  26           HB3      SER  26 -12.731  -0.139   8.530
  195    HG   SER  26           HG       SER  26 -11.414   1.177   9.827
  196    HA   PRO  27           HA       PRO  27  -9.033   2.466   4.390
  197    HB2  PRO  27           HB2      PRO  27 -10.037   5.016   4.294
  198    HB3  PRO  27           HB3      PRO  27 -10.615   3.684   3.248
  199    HG2  PRO  27           HG2      PRO  27 -11.835   4.725   5.815
  200    HG3  PRO  27           HG3      PRO  27 -12.667   4.339   4.282
  201    HD2  PRO  27           HD2      PRO  27 -12.608   2.618   6.391
  202    HD3  PRO  27           HD3      PRO  27 -12.553   2.002   4.725
  203    H    ASP  28           H        ASP  28 -10.359   3.573   7.487
  204    HA   ASP  28           HA       ASP  28  -8.203   5.417   8.055
  205    HB2  ASP  28           HB2      ASP  28 -10.464   5.378   9.196
  206    HB3  ASP  28           HB3      ASP  28  -9.934   3.905  10.039
  207    H    THR  29           H        THR  29  -8.798   1.942   8.702
  208    HA   THR  29           HA       THR  29  -6.355   1.601  10.218
  209    HB   THR  29           HB       THR  29  -8.101  -0.386   8.708
  210   HG21  THR  29          HG21      THR  29  -6.969  -2.051  10.215
  211   HG22  THR  29          HG22      THR  29  -5.873  -1.303   9.031
  212   HG23  THR  29          HG23      THR  29  -5.850  -0.767  10.727
  213    H    LEU  30           H        LEU  30  -7.328   1.179   6.766
  214    HA   LEU  30           HA       LEU  30  -4.916   0.093   5.833
  215    HB2  LEU  30           HB2      LEU  30  -7.313   1.206   4.767
  216    HB3  LEU  30           HB3      LEU  30  -5.986   2.049   3.968
  217    HG   LEU  30           HG       LEU  30  -6.726   0.031   2.727
  218   HD11  LEU  30          HD11      LEU  30  -3.985  -0.357   3.977
  219   HD12  LEU  30          HD12      LEU  30  -4.546  -1.061   2.441
  220   HD13  LEU  30          HD13      LEU  30  -4.332   0.703   2.589
  221   HD21  LEU  30          HD21      LEU  30  -7.396  -1.232   4.823
  222   HD22  LEU  30          HD22      LEU  30  -6.490  -2.183   3.616
  223   HD23  LEU  30          HD23      LEU  30  -5.681  -1.606   5.084
  224    H    ARG  31           H        ARG  31  -5.608   3.329   6.934
  225    HA   ARG  31           HA       ARG  31  -3.302   4.551   5.611
  226    HB2  ARG  31           HB2      ARG  31  -5.295   5.887   6.112
  227    HB3  ARG  31           HB3      ARG  31  -5.170   5.463   7.831
  228    HG2  ARG  31           HG2      ARG  31  -4.313   7.746   7.358
  229    HG3  ARG  31           HG3      ARG  31  -3.088   6.688   8.062
  230    HD2  ARG  31           HD2      ARG  31  -2.163   6.282   5.767
  231    HD3  ARG  31           HD3      ARG  31  -3.368   7.415   5.123
  232    HE   ARG  31           HE       ARG  31  -1.289   8.180   7.148
  233   HH11  ARG  31          HH11      ARG  31  -3.089   8.905   4.182
  234   HH12  ARG  31          HH12      ARG  31  -2.265  10.437   3.951
  235   HH21  ARG  31          HH21      ARG  31  -0.275  10.120   6.819
  236   HH22  ARG  31          HH22      ARG  31  -0.697  11.146   5.454
  237    H    ARG  32           H        ARG  32  -4.169   3.755   9.047
  238    HA   ARG  32           HA       ARG  32  -1.605   4.489  10.067
  239    HB2  ARG  32           HB2      ARG  32  -2.352   3.668  12.093
  240    HB3  ARG  32           HB3      ARG  32  -3.900   3.992  11.266
  241    HG2  ARG  32           HG2      ARG  32  -3.968   1.619  10.536
  242    HG3  ARG  32           HG3      ARG  32  -2.468   1.297  11.451
  243    HD2  ARG  32           HD2      ARG  32  -5.077   2.287  12.595
  244    HD3  ARG  32           HD3      ARG  32  -4.483   0.603  12.617
  245    HE   ARG  32           HE       ARG  32  -3.552   2.871  14.276
  246   HH11  ARG  32          HH11      ARG  32  -2.898  -0.427  13.156
  247   HH12  ARG  32          HH12      ARG  32  -1.814  -0.775  14.481
  248   HH21  ARG  32          HH21      ARG  32  -2.133   2.384  15.978
  249   HH22  ARG  32          HH22      ARG  32  -1.380   0.806  16.063
  250    H    VAL  33           H        VAL  33  -2.792   1.577   8.495
  251    HA   VAL  33           HA       VAL  33  -0.754  -0.156   9.550
  252    HB   VAL  33           HB       VAL  33  -2.849  -0.406   7.371
  253   HG11  VAL  33          HG11      VAL  33  -1.031  -1.877   6.706
  254   HG12  VAL  33          HG12      VAL  33  -0.909  -2.525   8.360
  255   HG13  VAL  33          HG13      VAL  33  -2.364  -2.841   7.380
  256   HG21  VAL  33          HG21      VAL  33  -3.599  -0.337   9.746
  257   HG22  VAL  33          HG22      VAL  33  -3.879  -1.929   9.006
  258   HG23  VAL  33          HG23      VAL  33  -2.512  -1.692  10.118
  259    H    PHE  34           H        PHE  34  -1.199   1.789   6.573
  260    HA   PHE  34           HA       PHE  34   1.314   0.669   5.444
  261    HB2  PHE  34           HB2      PHE  34  -1.133   2.043   4.370
  262    HB3  PHE  34           HB3      PHE  34   0.355   2.174   3.475
  263    HD1  PHE  34           HD2      PHE  34  -2.140  -0.229   4.797
  264    HD2  PHE  34           HD1      PHE  34   1.264   0.287   2.219
  265    HE1  PHE  34           HE2      PHE  34  -2.577  -2.443   3.761
  266    HE2  PHE  34           HE1      PHE  34   0.825  -1.917   1.188
  267    HZ   PHE  34           HZ       PHE  34  -1.101  -3.277   1.933
  268    H    GLU  35           H        GLU  35   0.239   3.380   7.260
  269    HA   GLU  35           HA       GLU  35   2.019   5.337   6.085
  270    HB2  GLU  35           HB2      GLU  35   0.053   6.000   7.314
  271    HB3  GLU  35           HB3      GLU  35   0.590   5.124   8.761
  272    HG2  GLU  35           HG2      GLU  35   2.404   6.652   9.104
  273    HG3  GLU  35           HG3      GLU  35   2.146   7.410   7.513
  274    H    LYS  36           H        LYS  36   2.425   2.707   8.406
  275    HA   LYS  36           HA       LYS  36   4.737   3.802   9.711
  276    HB2  LYS  36           HB2      LYS  36   5.050   1.568  10.596
  277    HB3  LYS  36           HB3      LYS  36   3.330   2.021  10.687
  278    HG2  LYS  36           HG2      LYS  36   2.904   0.701   8.619
  279    HG3  LYS  36           HG3      LYS  36   4.610   0.198   8.609
  280    HD2  LYS  36           HD2      LYS  36   4.332  -0.798  10.863
  281    HD3  LYS  36           HD3      LYS  36   2.620  -0.310  10.859
  282    HE2  LYS  36           HE2      LYS  36   2.234  -1.712   8.854
  283    HE3  LYS  36           HE3      LYS  36   3.939  -2.179   8.842
  284    HZ1  LYS  36           HZ1      LYS  36   2.031  -2.754  11.012
  285    HZ2  LYS  36           HZ2      LYS  36   2.582  -3.833   9.906
  286    HZ3  LYS  36           HZ3      LYS  36   3.620  -3.182  11.000
  287    H    TYR  37           H        TYR  37   4.287   2.178   6.654
  288    HA   TYR  37           HA       TYR  37   7.049   1.371   6.315
  289    HB2  TYR  37           HB2      TYR  37   4.785   1.804   4.346
  290    HB3  TYR  37           HB3      TYR  37   6.367   1.152   3.905
  291    HD1  TYR  37           HD1      TYR  37   3.316   0.510   5.935
  292    HD2  TYR  37           HD2      TYR  37   6.972  -1.108   4.352
  293    HE1  TYR  37           HE1      TYR  37   2.605  -1.749   6.633
  294    HE2  TYR  37           HE2      TYR  37   6.260  -3.384   5.040
  295    HH   TYR  37           HH       TYR  37   3.153  -3.993   6.711
  296    H    GLY  38           H        GLY  38   5.403   4.419   6.108
  297    HA2  GLY  38           HA2      GLY  38   7.688   5.940   6.103
  298    HA3  GLY  38           HA3      GLY  38   7.350   5.706   4.377
  299    H    ARG  39           H        ARG  39   5.262   6.411   3.520
  300    HA   ARG  39           HA       ARG  39   3.428   7.915   5.183
  301    HB2  ARG  39           HB2      ARG  39   3.726  10.041   3.880
  302    HB3  ARG  39           HB3      ARG  39   5.004   9.698   5.048
  303    HG2  ARG  39           HG2      ARG  39   6.507   8.962   3.262
  304    HG3  ARG  39           HG3      ARG  39   5.203   9.100   2.070
  305    HD2  ARG  39           HD2      ARG  39   6.608  11.109   1.945
  306    HD3  ARG  39           HD3      ARG  39   5.026  11.545   2.594
  307    HE   ARG  39           HE       ARG  39   5.974  12.039   4.650
  308   HH11  ARG  39          HH11      ARG  39   8.384  10.461   2.592
  309   HH12  ARG  39          HH12      ARG  39   9.708  10.820   3.676
  310   HH21  ARG  39          HH21      ARG  39   7.726  12.492   6.035
  311   HH22  ARG  39          HH22      ARG  39   9.337  11.967   5.601
  312    H    VAL  40           H        VAL  40   1.656   8.806   3.945
  313    HA   VAL  40           HA       VAL  40   1.182   7.453   1.338
  314    HB   VAL  40           HB       VAL  40  -0.608   7.400   3.804
  315   HG11  VAL  40          HG11      VAL  40  -1.029   6.174   1.051
  316   HG12  VAL  40          HG12      VAL  40  -2.082   5.966   2.468
  317   HG13  VAL  40          HG13      VAL  40  -1.929   7.564   1.719
  318   HG21  VAL  40          HG21      VAL  40  -0.292   4.948   3.687
  319   HG22  VAL  40          HG22      VAL  40   0.848   5.163   2.343
  320   HG23  VAL  40          HG23      VAL  40   1.250   5.778   3.960
  321    H    GLY  41           H        GLY  41  -0.283   8.644  -0.002
  322    HA2  GLY  41           HA2      GLY  41  -0.427  11.494   0.679
  323    HA3  GLY  41           HA3      GLY  41  -0.906  10.716  -0.844
  324    H    ASP  42           H        ASP  42  -2.722   8.795  -0.033
  325    HA   ASP  42           HA       ASP  42  -4.623   9.699   1.914
  326    HB2  ASP  42           HB2      ASP  42  -6.453  10.263   0.352
  327    HB3  ASP  42           HB3      ASP  42  -5.135  11.426   0.226
  328    H    VAL  43           H        VAL  43  -6.615   8.423   1.852
  329    HA   VAL  43           HA       VAL  43  -6.256   5.807   0.471
  330    HB   VAL  43           HB       VAL  43  -7.300   4.731   2.307
  331   HG11  VAL  43          HG11      VAL  43  -4.845   5.145   2.525
  332   HG12  VAL  43          HG12      VAL  43  -5.216   6.547   3.556
  333   HG13  VAL  43          HG13      VAL  43  -5.683   4.897   4.054
  334   HG21  VAL  43          HG21      VAL  43  -8.872   6.502   3.027
  335   HG22  VAL  43          HG22      VAL  43  -7.929   5.897   4.402
  336   HG23  VAL  43          HG23      VAL  43  -7.515   7.463   3.657
  337    H    TYR  44           H        TYR  44  -8.334   4.840  -0.274
  338    HA   TYR  44           HA       TYR  44 -10.557   6.787  -0.362
  339    HB2  TYR  44           HB2      TYR  44  -8.744   7.227  -2.123
  340    HB3  TYR  44           HB3      TYR  44  -9.198   5.681  -2.847
  341    HD1  TYR  44           HD1      TYR  44 -11.697   5.375  -3.408
  342    HD2  TYR  44           HD2      TYR  44  -9.792   9.178  -2.805
  343    HE1  TYR  44           HE1      TYR  44 -13.577   6.506  -4.608
  344    HE2  TYR  44           HE2      TYR  44 -11.623  10.299  -4.066
  345    HH   TYR  44           HH       TYR  44 -14.479   8.478  -5.230
  346    H    ILE  45           H        ILE  45 -12.528   5.863  -0.629
  347    HA   ILE  45           HA       ILE  45 -12.733   3.105  -1.684
  348    HB   ILE  45           HB       ILE  45 -14.186   4.037   0.826
  349   HG12  ILE  45          HG12      ILE  45 -11.812   2.199   0.384
  350   HG13  ILE  45          HG13      ILE  45 -11.865   3.671   1.376
  351   HG21  ILE  45          HG21      ILE  45 -15.386   2.374  -0.698
  352   HG22  ILE  45          HG22      ILE  45 -14.037   1.257  -0.424
  353   HG23  ILE  45          HG23      ILE  45 -15.040   1.765   0.938
  354   HD11  ILE  45          HD11      ILE  45 -13.267   1.024   1.923
  355   HD12  ILE  45          HD12      ILE  45 -11.911   1.720   2.813
  356   HD13  ILE  45          HD13      ILE  45 -13.510   2.514   2.881
  357    HA   PRO  46           HA       PRO  46 -15.466   5.890  -3.922
  358    HB2  PRO  46           HB2      PRO  46 -15.994   4.246  -6.052
  359    HB3  PRO  46           HB3      PRO  46 -14.417   5.064  -5.837
  360    HG2  PRO  46           HG2      PRO  46 -15.176   2.228  -5.095
  361    HG3  PRO  46           HG3      PRO  46 -13.710   2.803  -5.965
  362    HD2  PRO  46           HD2      PRO  46 -13.724   2.249  -3.291
  363    HD3  PRO  46           HD3      PRO  46 -12.731   3.572  -3.980
  364    H    ARG  47           H        ARG  47 -16.265   2.714  -2.712
  365    HA   ARG  47           HA       ARG  47 -18.215   1.509  -2.612
  366    HB2  ARG  47           HB2      ARG  47 -19.227   4.160  -1.511
  367    HB3  ARG  47           HB3      ARG  47 -19.798   2.521  -1.113
  368    HG2  ARG  47           HG2      ARG  47 -17.523   2.018  -0.191
  369    HG3  ARG  47           HG3      ARG  47 -17.066   3.714  -0.502
  370    HD2  ARG  47           HD2      ARG  47 -18.903   4.473   0.977
  371    HD3  ARG  47           HD3      ARG  47 -19.359   2.784   1.266
  372    HE   ARG  47           HE       ARG  47 -17.566   2.524   2.714
  373   HH11  ARG  47          HH11      ARG  47 -17.223   5.604   0.991
  374   HH12  ARG  47          HH12      ARG  47 -15.969   6.186   2.060
  375   HH21  ARG  47          HH21      ARG  47 -15.911   3.313   4.067
  376   HH22  ARG  47          HH22      ARG  47 -15.220   4.890   3.771
  377    H    ASP  48           H        ASP  48 -20.363   4.176  -2.795
  378    HA   ASP  48           HA       ASP  48 -20.887   3.924  -5.691
  379    HB2  ASP  48           HB2      ASP  48 -22.937   3.467  -3.488
  380    HB3  ASP  48           HB3      ASP  48 -23.329   3.641  -5.208
  381    H    ARG  49           H        ARG  49 -19.948   5.786  -3.433
  382    HA   ARG  49           HA       ARG  49 -20.025   7.894  -2.819
  383    HB2  ARG  49           HB2      ARG  49 -19.226   8.367  -4.922
  384    HB3  ARG  49           HB3      ARG  49 -20.735   8.038  -5.743
  385    HG2  ARG  49           HG2      ARG  49 -21.728  10.101  -4.673
  386    HG3  ARG  49           HG3      ARG  49 -20.158  10.387  -3.881
  387    HD2  ARG  49           HD2      ARG  49 -19.180  10.399  -6.272
  388    HD3  ARG  49           HD3      ARG  49 -20.851  10.438  -6.833
  389    HE   ARG  49           HE       ARG  49 -20.950  12.688  -6.244
  390   HH11  ARG  49          HH11      ARG  49 -18.226  11.163  -4.566
  391   HH12  ARG  49          HH12      ARG  49 -17.646  12.670  -3.901
  392   HH21  ARG  49          HH21      ARG  49 -20.132  14.652  -5.374
  393   HH22  ARG  49          HH22      ARG  49 -18.702  14.620  -4.363
  394    H    TYR  50           H        TYR  50 -23.181   6.594  -3.555
  395    HA   TYR  50           HA       TYR  50 -24.301   8.703  -1.790
  396    HB2  TYR  50           HB2      TYR  50 -26.222   9.028  -3.267
  397    HB3  TYR  50           HB3      TYR  50 -24.710   9.516  -4.031
  398    HD1  TYR  50           HD1      TYR  50 -27.439   7.048  -4.041
  399    HD2  TYR  50           HD2      TYR  50 -23.787   8.309  -5.919
  400    HE1  TYR  50           HE1      TYR  50 -27.935   5.572  -5.980
  401    HE2  TYR  50           HE2      TYR  50 -24.246   6.818  -7.840
  402    HH   TYR  50           HH       TYR  50 -27.225   4.814  -8.029
  403    H    THR  51           H        THR  51 -24.022   5.397  -2.455
  404    HA   THR  51           HA       THR  51 -26.319   4.962  -0.596
  405    HB   THR  51           HB       THR  51 -26.693   2.782  -1.515
  406   HG21  THR  51          HG21      THR  51 -26.254   4.641  -3.878
  407   HG22  THR  51          HG22      THR  51 -27.380   3.270  -3.794
  408   HG23  THR  51          HG23      THR  51 -27.683   4.718  -2.798
  409    H    LYS  52           H        LYS  52 -22.964   4.533  -1.304
  410    HA   LYS  52           HA       LYS  52 -21.217   3.701  -0.167
  411    HB2  LYS  52           HB2      LYS  52 -22.841   4.433   2.296
  412    HB3  LYS  52           HB3      LYS  52 -21.084   4.386   2.140
  413    HG2  LYS  52           HG2      LYS  52 -21.193   6.579   1.691
  414    HG3  LYS  52           HG3      LYS  52 -21.829   6.129   0.091
  415    HD2  LYS  52           HD2      LYS  52 -24.143   6.255   0.992
  416    HD3  LYS  52           HD3      LYS  52 -23.492   6.686   2.586
  417    HE2  LYS  52           HE2      LYS  52 -22.427   8.699   1.600
  418    HE3  LYS  52           HE3      LYS  52 -23.109   8.278   0.014
  419    HZ1  LYS  52           HZ1      LYS  52 -25.303   8.482   0.987
  420    HZ2  LYS  52           HZ2      LYS  52 -24.667   8.882   2.445
  421    HZ3  LYS  52           HZ3      LYS  52 -24.457   9.885   1.165
  422    H    GLU  53           H        GLU  53 -23.360   1.669  -0.727
  423    HA   GLU  53           HA       GLU  53 -23.464  -0.056   1.601
  424    HB2  GLU  53           HB2      GLU  53 -24.703  -1.558   0.103
  425    HB3  GLU  53           HB3      GLU  53 -25.349   0.094   0.092
  426    HG2  GLU  53           HG2      GLU  53 -24.222   0.564  -2.027
  427    HG3  GLU  53           HG3      GLU  53 -23.464  -1.036  -2.018
  428    H    SER  54           H        SER  54 -20.741   0.538   0.246
  429    HA   SER  54           HA       SER  54 -19.886  -2.305   0.191
  430    HB2  SER  54           HB2      SER  54 -20.359  -1.627  -2.151
  431    HB3  SER  54           HB3      SER  54 -19.183  -0.304  -1.993
  432    HG   SER  54           HG       SER  54 -18.295  -2.219  -2.919
  433    H    ARG  55           H        ARG  55 -17.518  -2.496   0.065
  434    HA   ARG  55           HA       ARG  55 -15.682  -0.487   0.848
  435    HB2  ARG  55           HB2      ARG  55 -17.204  -0.875   2.998
  436    HB3  ARG  55           HB3      ARG  55 -16.324  -2.401   3.125
  437    HG2  ARG  55           HG2      ARG  55 -14.176  -0.907   2.922
  438    HG3  ARG  55           HG3      ARG  55 -15.271   0.443   3.286
  439    HD2  ARG  55           HD2      ARG  55 -14.854  -2.059   4.979
  440    HD3  ARG  55           HD3      ARG  55 -14.176  -0.451   5.318
  441    HE   ARG  55           HE       ARG  55 -16.958  -0.118   5.136
  442   HH11  ARG  55          HH11      ARG  55 -14.649  -1.875   7.137
  443   HH12  ARG  55          HH12      ARG  55 -15.657  -1.832   8.566
  444   HH21  ARG  55          HH21      ARG  55 -18.274  -0.071   7.002
  445   HH22  ARG  55          HH22      ARG  55 -17.716  -0.807   8.489
  446    H    GLY  56           H        GLY  56 -16.167  -3.023  -0.863
  447    HA2  GLY  56           HA2      GLY  56 -14.701  -5.195   0.242
  448    HA3  GLY  56           HA3      GLY  56 -15.145  -4.965  -1.461
  449    H    PHE  57           H        PHE  57 -13.520  -2.220  -0.949
  450    HA   PHE  57           HA       PHE  57 -10.775  -3.146  -0.848
  451    HB2  PHE  57           HB2      PHE  57 -10.169  -2.539  -3.082
  452    HB3  PHE  57           HB3      PHE  57 -11.447  -3.739  -3.174
  453    HD1  PHE  57           HD2      PHE  57 -13.969  -2.421  -3.122
  454    HD2  PHE  57           HD1      PHE  57 -10.248  -0.940  -4.704
  455    HE1  PHE  57           HE2      PHE  57 -15.210  -0.945  -4.664
  456    HE2  PHE  57           HE1      PHE  57 -11.505   0.537  -6.251
  457    HZ   PHE  57           HZ       PHE  57 -13.982   0.529  -6.240
  458    H    ALA  58           H        ALA  58  -9.278  -1.255  -1.074
  459    HA   ALA  58           HA       ALA  58 -10.549   1.380  -0.912
  460    HB1  ALA  58           HB1      ALA  58  -8.736   0.367   1.344
  461    HB2  ALA  58           HB2      ALA  58  -9.466   1.971   1.220
  462    HB3  ALA  58           HB3      ALA  58 -10.495   0.555   1.473
  463    H    PHE  59           H        PHE  59  -9.554   1.947  -2.769
  464    HA   PHE  59           HA       PHE  59  -6.847   1.416  -3.472
  465    HB2  PHE  59           HB2      PHE  59  -8.514   1.999  -5.131
  466    HB3  PHE  59           HB3      PHE  59  -8.880   3.509  -4.315
  467    HD1  PHE  59           HD2      PHE  59  -7.497   5.464  -4.542
  468    HD2  PHE  59           HD1      PHE  59  -6.533   1.855  -6.718
  469    HE1  PHE  59           HE2      PHE  59  -5.990   6.736  -6.003
  470    HE2  PHE  59           HE1      PHE  59  -4.976   3.130  -8.111
  471    HZ   PHE  59           HZ       PHE  59  -4.658   5.554  -7.760
  472    H    VAL  60           H        VAL  60  -5.432   1.823  -1.832
  473    HA   VAL  60           HA       VAL  60  -5.328   4.607  -0.777
  474    HB   VAL  60           HB       VAL  60  -3.776   2.089  -0.041
  475   HG11  VAL  60          HG11      VAL  60  -3.493   4.929   0.994
  476   HG12  VAL  60          HG12      VAL  60  -2.853   3.476   1.816
  477   HG13  VAL  60          HG13      VAL  60  -2.238   3.928   0.227
  478   HG21  VAL  60          HG21      VAL  60  -4.964   2.645   2.168
  479   HG22  VAL  60          HG22      VAL  60  -5.997   3.722   1.193
  480   HG23  VAL  60          HG23      VAL  60  -5.965   1.985   0.851
  481    H    ARG  61           H        ARG  61  -3.471   5.933  -1.009
  482    HA   ARG  61           HA       ARG  61  -1.964   5.315  -3.501
  483    HB2  ARG  61           HB2      ARG  61  -3.949   6.845  -3.813
  484    HB3  ARG  61           HB3      ARG  61  -3.173   7.999  -2.720
  485    HG2  ARG  61           HG2      ARG  61  -1.180   8.040  -4.270
  486    HG3  ARG  61           HG3      ARG  61  -2.055   6.919  -5.342
  487    HD2  ARG  61           HD2      ARG  61  -3.956   8.668  -5.285
  488    HD3  ARG  61           HD3      ARG  61  -2.745   9.792  -4.643
  489    HE   ARG  61           HE       ARG  61  -1.410   9.062  -6.778
  490   HH11  ARG  61          HH11      ARG  61  -4.918   9.549  -6.557
  491   HH12  ARG  61          HH12      ARG  61  -5.102   9.746  -8.282
  492   HH21  ARG  61          HH21      ARG  61  -1.686   9.386  -9.003
  493   HH22  ARG  61          HH22      ARG  61  -3.283   9.703  -9.654
  494    H    PHE  62           H        PHE  62   0.157   5.212  -3.083
  495    HA   PHE  62           HA       PHE  62   1.302   6.887  -0.884
  496    HB2  PHE  62           HB2      PHE  62   2.401   4.601  -2.573
  497    HB3  PHE  62           HB3      PHE  62   3.444   5.646  -1.657
  498    HD1  PHE  62           HD2      PHE  62   0.398   3.511  -1.016
  499    HD2  PHE  62           HD1      PHE  62   4.143   5.081   0.398
  500    HE1  PHE  62           HE2      PHE  62   0.259   2.057   0.990
  501    HE2  PHE  62           HE1      PHE  62   4.010   3.615   2.391
  502    HZ   PHE  62           HZ       PHE  62   2.090   2.094   2.681
  503    H    HIS  63           H        HIS  63   3.379   7.905  -1.252
  504    HA   HIS  63           HA       HIS  63   3.602   9.072  -3.974
  505    HB2  HIS  63           HB2      HIS  63   4.291  11.194  -2.646
  506    HB3  HIS  63           HB3      HIS  63   2.604  10.768  -2.945
  507    HD2  HIS  63           HD2      HIS  63   4.240   9.039   0.124
  508    HE1  HIS  63           HE1      HIS  63   1.731  12.151   1.550
  509    HE2  HIS  63           HE2      HIS  63   3.129  10.134   2.204
  510    H    ASP  64           H        ASP  64   5.341   7.966  -1.096
  511    HA   ASP  64           HA       ASP  64   7.863   8.829  -2.336
  512    HB2  ASP  64           HB2      ASP  64   6.994   7.686   0.248
  513    HB3  ASP  64           HB3      ASP  64   8.522   7.005  -0.348
  514    H    LYS  65           H        LYS  65   8.786   7.654  -3.966
  515    HA   LYS  65           HA       LYS  65   7.725   5.202  -4.889
  516    HB2  LYS  65           HB2      LYS  65   9.012   6.626  -6.344
  517    HB3  LYS  65           HB3      LYS  65  10.401   6.585  -5.266
  518    HG2  LYS  65           HG2      LYS  65  10.677   5.169  -7.294
  519    HG3  LYS  65           HG3      LYS  65  10.846   4.265  -5.793
  520    HD2  LYS  65           HD2      LYS  65   9.552   3.050  -7.534
  521    HD3  LYS  65           HD3      LYS  65   8.644   3.280  -6.039
  522    HE2  LYS  65           HE2      LYS  65   7.199   3.678  -7.914
  523    HE3  LYS  65           HE3      LYS  65   7.450   5.195  -7.035
  524    HZ1  LYS  65           HZ1      LYS  65   7.630   5.524  -9.399
  525    HZ2  LYS  65           HZ2      LYS  65   9.084   5.804  -8.702
  526    HZ3  LYS  65           HZ3      LYS  65   8.828   4.406  -9.526
  527    H    ARG  66           H        ARG  66  10.640   5.803  -2.838
  528    HA   ARG  66           HA       ARG  66  11.368   3.060  -2.692
  529    HB2  ARG  66           HB2      ARG  66  12.813   3.671  -0.889
  530    HB3  ARG  66           HB3      ARG  66  12.940   4.829  -2.207
  531    HG2  ARG  66           HG2      ARG  66  11.266   5.294   0.297
  532    HG3  ARG  66           HG3      ARG  66  12.961   5.771   0.145
  533    HD2  ARG  66           HD2      ARG  66  10.660   6.830  -1.530
  534    HD3  ARG  66           HD3      ARG  66  11.568   7.691  -0.273
  535    HE   ARG  66           HE       ARG  66  13.336   6.691  -2.314
  536   HH11  ARG  66          HH11      ARG  66  11.021   9.292  -1.668
  537   HH12  ARG  66          HH12      ARG  66  11.758  10.388  -2.809
  538   HH21  ARG  66          HH21      ARG  66  14.276   8.150  -3.797
  539   HH22  ARG  66          HH22      ARG  66  13.590   9.740  -4.004
  540    H    ASP  67           H        ASP  67   9.009   4.921  -0.775
  541    HA   ASP  67           HA       ASP  67   8.830   2.733   1.198
  542    HB2  ASP  67           HB2      ASP  67   7.269   5.325   0.914
  543    HB3  ASP  67           HB3      ASP  67   7.151   4.196   2.272
  544    H    ALA  68           H        ALA  68   7.415   3.646  -1.819
  545    HA   ALA  68           HA       ALA  68   4.860   2.293  -1.428
  546    HB1  ALA  68           HB1      ALA  68   5.065   4.171  -2.990
  547    HB2  ALA  68           HB2      ALA  68   6.398   3.338  -3.843
  548    HB3  ALA  68           HB3      ALA  68   4.753   2.684  -3.921
  549    H    GLU  69           H        GLU  69   7.952   1.717  -3.208
  550    HA   GLU  69           HA       GLU  69   7.131  -0.869  -4.097
  551    HB2  GLU  69           HB2      GLU  69   9.453  -1.204  -4.739
  552    HB3  GLU  69           HB3      GLU  69   8.882   0.398  -5.242
  553    HG2  GLU  69           HG2      GLU  69  10.059   1.450  -3.375
  554    HG3  GLU  69           HG3      GLU  69  10.451  -0.120  -2.682
  555    H    ASP  70           H        ASP  70   8.601   0.269  -1.050
  556    HA   ASP  70           HA       ASP  70   9.382  -2.406  -0.236
  557    HB2  ASP  70           HB2      ASP  70  10.425  -0.333   0.633
  558    HB3  ASP  70           HB3      ASP  70   8.889   0.121   1.389
  559    H    ALA  71           H        ALA  71   6.498  -0.312   0.297
  560    HA   ALA  71           HA       ALA  71   5.290  -2.029   2.218
  561    HB1  ALA  71           HB1      ALA  71   4.021  -0.090   0.230
  562    HB2  ALA  71           HB2      ALA  71   3.221  -0.792   1.652
  563    HB3  ALA  71           HB3      ALA  71   4.603   0.306   1.861
  564    H    MET  72           H        MET  72   5.287  -2.110  -1.367
  565    HA   MET  72           HA       MET  72   3.220  -4.160  -1.387
  566    HB2  MET  72           HB2      MET  72   3.235  -3.937  -3.643
  567    HB3  MET  72           HB3      MET  72   4.033  -2.415  -3.255
  568    HG2  MET  72           HG2      MET  72   6.230  -3.452  -3.715
  569    HG3  MET  72           HG3      MET  72   5.427  -5.016  -3.977
  570    HE1  MET  72           HE1      MET  72   6.514  -1.641  -5.698
  571    HE2  MET  72           HE2      MET  72   5.089  -1.315  -6.700
  572    HE3  MET  72           HE3      MET  72   4.932  -1.339  -4.924
  573    H    ASP  73           H        ASP  73   6.767  -4.016  -1.485
  574    HA   ASP  73           HA       ASP  73   7.091  -6.871  -1.889
  575    HB2  ASP  73           HB2      ASP  73   8.688  -5.124  -2.674
  576    HB3  ASP  73           HB3      ASP  73   9.082  -4.766  -0.981
  577    H    ALA  74           H        ALA  74   5.893  -5.257   0.784
  578    HA   ALA  74           HA       ALA  74   7.180  -7.211   2.625
  579    HB1  ALA  74           HB1      ALA  74   6.550  -4.298   3.136
  580    HB2  ALA  74           HB2      ALA  74   7.263  -5.437   4.314
  581    HB3  ALA  74           HB3      ALA  74   8.180  -4.973   2.862
  582    H    MET  75           H        MET  75   4.223  -6.066   1.343
  583    HA   MET  75           HA       MET  75   2.865  -7.442   3.615
  584    HB2  MET  75           HB2      MET  75   2.780  -4.792   3.574
  585    HB3  MET  75           HB3      MET  75   1.526  -5.090   2.334
  586    HG2  MET  75           HG2      MET  75   0.531  -6.770   3.989
  587    HG3  MET  75           HG3      MET  75   1.626  -6.073   5.193
  588    HE1  MET  75           HE1      MET  75   0.340  -2.310   5.225
  589    HE2  MET  75           HE2      MET  75   1.455  -3.465   5.997
  590    HE3  MET  75           HE3      MET  75   1.641  -3.042   4.275
  591    H    ASP  76           H        ASP  76   2.832  -6.643   0.113
  592    HA   ASP  76           HA       ASP  76   0.220  -7.664  -0.364
  593    HB2  ASP  76           HB2      ASP  76   1.332  -6.338  -2.011
  594    HB3  ASP  76           HB3      ASP  76   2.700  -7.470  -2.107
  595    H    GLY  77           H        GLY  77  -0.569  -9.666  -0.576
  596    HA2  GLY  77           HA2      GLY  77  -0.612 -11.958  -0.973
  597    HA3  GLY  77           HA3      GLY  77   1.148 -11.949  -1.185
  598    H    ALA  78           H        ALA  78   0.217 -10.385   1.731
  599    HA   ALA  78           HA       ALA  78   1.276 -12.613   3.297
  600    HB1  ALA  78           HB1      ALA  78   1.938 -10.252   3.736
  601    HB2  ALA  78           HB2      ALA  78   0.248  -9.859   4.130
  602    HB3  ALA  78           HB3      ALA  78   1.168 -10.978   5.160
  603    H    VAL  79           H        VAL  79  -1.154 -13.088   1.944
  604    HA   VAL  79           HA       VAL  79  -3.430 -12.692   3.659
  605    HB   VAL  79           HB       VAL  79  -3.095 -14.553   1.296
  606   HG11  VAL  79          HG11      VAL  79  -5.631 -13.317   2.291
  607   HG12  VAL  79          HG12      VAL  79  -5.379 -14.262   0.797
  608   HG13  VAL  79          HG13      VAL  79  -5.152 -15.045   2.363
  609   HG21  VAL  79          HG21      VAL  79  -2.405 -12.288   0.615
  610   HG22  VAL  79          HG22      VAL  79  -3.987 -12.656  -0.090
  611   HG23  VAL  79          HG23      VAL  79  -3.875 -11.597   1.332
  612    H    LEU  80           H        LEU  80  -4.867 -14.396   4.312
  613    HA   LEU  80           HA       LEU  80  -3.803 -17.026   4.949
  614    HB2  LEU  80           HB2      LEU  80  -4.189 -16.592   7.481
  615    HB3  LEU  80           HB3      LEU  80  -2.684 -16.060   6.737
  616    HG   LEU  80           HG       LEU  80  -3.430 -13.758   6.655
  617   HD11  LEU  80          HD11      LEU  80  -6.069 -14.789   7.761
  618   HD12  LEU  80          HD12      LEU  80  -5.600 -13.074   7.663
  619   HD13  LEU  80          HD13      LEU  80  -5.798 -14.008   6.178
  620   HD21  LEU  80          HD21      LEU  80  -2.452 -14.618   8.750
  621   HD22  LEU  80          HD22      LEU  80  -3.628 -13.330   9.064
  622   HD23  LEU  80          HD23      LEU  80  -4.084 -15.031   9.339
  623    H    ASP  81           H        ASP  81  -6.221 -15.440   3.763
  624    HA   ASP  81           HA       ASP  81  -8.257 -17.245   4.924
  625    HB2  ASP  81           HB2      ASP  81  -8.373 -15.062   6.146
  626    HB3  ASP  81           HB3      ASP  81  -8.587 -14.239   4.591
  627    H    GLY  82           H        GLY  82  -6.648 -16.311   2.247
  628    HA2  GLY  82           HA2      GLY  82  -7.283 -16.993   0.044
  629    HA3  GLY  82           HA3      GLY  82  -8.988 -16.720   0.466
  630    H    ARG  83           H        ARG  83  -7.644 -14.134   1.848
  631    HA   ARG  83           HA       ARG  83  -6.839 -12.397  -0.263
  632    HB2  ARG  83           HB2      ARG  83  -8.967 -12.326  -1.155
  633    HB3  ARG  83           HB3      ARG  83  -9.776 -12.600   0.382
  634    HG2  ARG  83           HG2      ARG  83  -8.234 -10.043   0.057
  635    HG3  ARG  83           HG3      ARG  83  -9.725 -10.230  -0.885
  636    HD2  ARG  83           HD2      ARG  83  -9.473 -10.309   2.143
  637    HD3  ARG  83           HD3      ARG  83 -10.216  -9.065   1.154
  638    HE   ARG  83           HE       ARG  83 -12.059 -10.484   0.684
  639   HH11  ARG  83          HH11      ARG  83  -9.736 -12.029   2.874
  640   HH12  ARG  83          HH12      ARG  83 -10.886 -13.213   3.438
  641   HH21  ARG  83          HH21      ARG  83 -13.535 -12.033   1.473
  642   HH22  ARG  83          HH22      ARG  83 -13.014 -13.215   2.650
  643    H    GLU  84           H        GLU  84  -5.495 -11.105   0.878
  644    HA   GLU  84           HA       GLU  84  -6.709  -9.786   3.218
  645    HB2  GLU  84           HB2      GLU  84  -3.861 -10.810   3.214
  646    HB3  GLU  84           HB3      GLU  84  -4.521  -9.680   4.377
  647    HG2  GLU  84           HG2      GLU  84  -5.475 -12.530   3.987
  648    HG3  GLU  84           HG3      GLU  84  -4.472 -11.933   5.282
  649    H    LEU  85           H        LEU  85  -3.938  -9.773   0.855
  650    HA   LEU  85           HA       LEU  85  -4.346  -6.840   0.539
  651    HB2  LEU  85           HB2      LEU  85  -1.697  -8.332   0.899
  652    HB3  LEU  85           HB3      LEU  85  -1.823  -6.719   0.229
  653    HG   LEU  85           HG       LEU  85  -1.091  -6.441   2.385
  654   HD11  LEU  85          HD11      LEU  85  -2.795  -5.081   3.439
  655   HD12  LEU  85          HD12      LEU  85  -2.818  -4.865   1.674
  656   HD13  LEU  85          HD13      LEU  85  -4.068  -5.858   2.472
  657   HD21  LEU  85          HD21      LEU  85  -2.008  -7.358   4.375
  658   HD22  LEU  85          HD22      LEU  85  -3.394  -8.053   3.505
  659   HD23  LEU  85          HD23      LEU  85  -1.751  -8.692   3.224
  660    H    ARG  86           H        ARG  86  -3.821  -5.990  -1.394
  661    HA   ARG  86           HA       ARG  86  -2.404  -7.521  -3.442
  662    HB2  ARG  86           HB2      ARG  86  -5.269  -6.548  -3.761
  663    HB3  ARG  86           HB3      ARG  86  -4.175  -6.621  -5.149
  664    HG2  ARG  86           HG2      ARG  86  -4.907  -8.965  -3.364
  665    HG3  ARG  86           HG3      ARG  86  -5.553  -8.655  -4.977
  666    HD2  ARG  86           HD2      ARG  86  -2.632  -9.234  -4.307
  667    HD3  ARG  86           HD3      ARG  86  -3.781 -10.350  -5.040
  668    HE   ARG  86           HE       ARG  86  -3.928  -8.843  -6.984
  669   HH11  ARG  86          HH11      ARG  86  -1.100  -8.460  -4.855
  670   HH12  ARG  86          HH12      ARG  86  -0.111  -7.796  -6.124
  671   HH21  ARG  86          HH21      ARG  86  -2.600  -7.931  -8.578
  672   HH22  ARG  86          HH22      ARG  86  -0.954  -7.465  -8.202
  673    H    VAL  87           H        VAL  87  -0.727  -6.154  -3.691
  674    HA   VAL  87           HA       VAL  87  -1.354  -3.252  -3.992
  675    HB   VAL  87           HB       VAL  87   1.033  -4.409  -2.522
  676   HG11  VAL  87          HG11      VAL  87   1.278  -2.070  -1.709
  677   HG12  VAL  87          HG12      VAL  87   1.478  -2.222  -3.467
  678   HG13  VAL  87          HG13      VAL  87  -0.039  -1.586  -2.798
  679   HG21  VAL  87          HG21      VAL  87  -0.066  -3.556  -0.454
  680   HG22  VAL  87          HG22      VAL  87  -1.543  -3.266  -1.408
  681   HG23  VAL  87          HG23      VAL  87  -0.919  -4.921  -1.191
  682    H    GLN  88           H        GLN  88  -0.254  -2.176  -5.495
  683    HA   GLN  88           HA       GLN  88   2.253  -2.864  -6.706
  684    HB2  GLN  88           HB2      GLN  88  -0.233  -3.983  -7.898
  685    HB3  GLN  88           HB3      GLN  88   0.677  -2.962  -9.012
  686    HG2  GLN  88           HG2      GLN  88   1.830  -5.342  -7.491
  687    HG3  GLN  88           HG3      GLN  88   1.317  -5.352  -9.181
  688   HE21  GLN  88          HE22      GLN  88   3.908  -6.088  -8.480
  689   HE22  GLN  88          HE21      GLN  88   5.019  -4.855  -9.042
  690    H    MET  89           H        MET  89   2.483  -1.431  -8.757
  691    HA   MET  89           HA       MET  89   1.765   1.282  -8.001
  692    HB2  MET  89           HB2      MET  89   3.141  -0.004 -10.382
  693    HB3  MET  89           HB3      MET  89   2.994   1.755 -10.163
  694    HG2  MET  89           HG2      MET  89   4.009   0.074  -7.874
  695    HG3  MET  89           HG3      MET  89   5.098   0.373  -9.211
  696    HE1  MET  89           HE1      MET  89   5.422   1.055  -6.119
  697    HE2  MET  89           HE2      MET  89   6.704   1.381  -7.309
  698    HE3  MET  89           HE3      MET  89   6.201   2.656  -6.171
  699    H    ALA  90           H        ALA  90   0.292   2.647  -9.068
  700    HA   ALA  90           HA       ALA  90  -2.003   1.461 -10.359
  701    HB1  ALA  90           HB1      ALA  90  -2.722   3.760 -10.619
  702    HB2  ALA  90           HB2      ALA  90  -2.091   3.489  -8.981
  703    HB3  ALA  90           HB3      ALA  90  -1.091   4.344 -10.181
  704    H    ARG  91           H        ARG  91  -2.540   1.378 -12.546
  705    HA   ARG  91           HA       ARG  91  -0.777   2.824 -14.445
  706    HB2  ARG  91           HB2      ARG  91  -1.754  -0.039 -14.856
  707    HB3  ARG  91           HB3      ARG  91  -1.012   0.983 -16.085
  708    HG2  ARG  91           HG2      ARG  91   0.852  -0.157 -15.415
  709    HG3  ARG  91           HG3      ARG  91   0.945   1.236 -14.328
  710    HD2  ARG  91           HD2      ARG  91   1.333  -0.679 -12.976
  711    HD3  ARG  91           HD3      ARG  91  -0.350  -0.213 -12.627
  712    HE   ARG  91           HE       ARG  91  -0.142  -2.133 -14.786
  713   HH11  ARG  91          HH11      ARG  91  -0.178  -1.803 -11.264
  714   HH12  ARG  91          HH12      ARG  91  -0.722  -3.442 -10.993
  715   HH21  ARG  91          HH21      ARG  91  -0.842  -4.281 -14.398
  716   HH22  ARG  91          HH22      ARG  91  -1.093  -4.843 -12.766
  717    H    TYR  92           H        TYR  92  -3.386   3.126 -13.012
  718    HA   TYR  92           HA       TYR  92  -4.950   4.068 -15.324
  719    HB2  TYR  92           HB2      TYR  92  -5.900   1.904 -14.877
  720    HB3  TYR  92           HB3      TYR  92  -5.888   2.191 -13.137
  721    HD1  TYR  92           HD1      TYR  92  -7.243   4.029 -16.158
  722    HD2  TYR  92           HD2      TYR  92  -7.933   2.440 -12.223
  723    HE1  TYR  92           HE1      TYR  92  -9.571   4.901 -16.214
  724    HE2  TYR  92           HE2      TYR  92 -10.234   3.311 -12.253
  725    HH   TYR  92           HH       TYR  92 -11.561   5.079 -15.102
  726    H    GLY  93           H        GLY  93  -6.041   5.998 -14.797
  727    HA2  GLY  93           HA2      GLY  93  -5.135   7.209 -12.212
  728    HA3  GLY  93           HA3      GLY  93  -5.160   8.043 -13.765
  729    H    ARG  94           H        ARG  94  -6.356   9.618 -12.443
  730    HA   ARG  94           HA       ARG  94  -8.800   9.367 -11.220
  731    HB2  ARG  94           HB2      ARG  94  -7.778  11.529 -13.096
  732    HB3  ARG  94           HB3      ARG  94  -9.222  11.715 -12.089
  733    HG2  ARG  94           HG2      ARG  94  -6.488  11.017 -10.934
  734    HG3  ARG  94           HG3      ARG  94  -7.034  12.686 -11.160
  735    HD2  ARG  94           HD2      ARG  94  -8.511  10.600  -9.517
  736    HD3  ARG  94           HD3      ARG  94  -7.439  11.834  -8.853
  737    HE   ARG  94           HE       ARG  94  -9.001  13.523  -9.953
  738   HH11  ARG  94          HH11      ARG  94 -10.168  10.355  -8.862
  739   HH12  ARG  94          HH12      ARG  94 -11.815  10.936  -8.685
  740   HH21  ARG  94          HH21      ARG  94 -11.156  14.204  -9.657
  741   HH22  ARG  94          HH22      ARG  94 -12.356  13.046  -9.116
  742    HA   PRO  95           HA       PRO  95 -11.362   7.751 -14.471
  743    HB2  PRO  95           HB2      PRO  95 -13.806   7.960 -13.224
  744    HB3  PRO  95           HB3      PRO  95 -12.581   6.713 -12.830
  745    HG2  PRO  95           HG2      PRO  95 -13.123   9.314 -11.375
  746    HG3  PRO  95           HG3      PRO  95 -12.853   7.692 -10.677
  747    HD2  PRO  95           HD2      PRO  95 -10.859   9.534 -10.833
  748    HD3  PRO  95           HD3      PRO  95 -10.539   7.783 -11.065
  749    HA   PRO  96           HA       PRO  96 -12.679  11.541 -16.404
  750    HB2  PRO  96           HB2      PRO  96 -13.971  10.537 -18.586
  751    HB3  PRO  96           HB3      PRO  96 -12.189  10.420 -18.395
  752    HG2  PRO  96           HG2      PRO  96 -14.276   8.310 -17.780
  753    HG3  PRO  96           HG3      PRO  96 -12.736   8.123 -18.686
  754    HD2  PRO  96           HD2      PRO  96 -12.979   7.481 -16.032
  755    HD3  PRO  96           HD3      PRO  96 -11.464   8.157 -16.720
  756    H    ASP  97           H        ASP  97 -14.989   8.870 -15.804
  757    HA   ASP  97           HA       ASP  97 -16.873  10.677 -14.593
  758    HB2  ASP  97           HB2      ASP  97 -17.426  11.150 -16.933
  759    HB3  ASP  97           HB3      ASP  97 -17.571   9.413 -17.268
  760    H    SER  98           H        SER  98 -18.003   9.573 -13.152
  761    HA   SER  98           HA       SER  98 -18.902   6.801 -13.639
  762    HB2  SER  98           HB2      SER  98 -17.296   7.627 -11.189
  763    HB3  SER  98           HB3      SER  98 -18.200   6.116 -11.339
  764    HG   SER  98           HG       SER  98 -15.959   5.936 -11.881
  765    H    HIS  99           H        HIS  99 -19.639   9.933 -12.790
  766    HA   HIS  99           HA       HIS  99 -22.001   9.160 -11.228
  767    HB2  HIS  99           HB2      HIS  99 -20.134   9.413  -9.556
  768    HB3  HIS  99           HB3      HIS  99 -19.844  11.030 -10.158
  769    HD2  HIS  99           HD2      HIS  99 -21.173  12.950  -9.023
  770    HE1  HIS  99           HE1      HIS  99 -24.300  10.698  -7.225
  771    HE2  HIS  99           HE2      HIS  99 -23.286  13.020  -7.469
  772    H    HIS 100           H        HIS 100 -23.673  10.481 -11.793
  773    HA   HIS 100           HA       HIS 100 -23.199  13.257 -12.578
  774    HB2  HIS 100           HB2      HIS 100 -24.146  12.992 -14.825
  775    HB3  HIS 100           HB3      HIS 100 -22.652  12.069 -14.644
  776    HD2  HIS 100           HD2      HIS 100 -22.799   9.403 -14.765
  777    HE1  HIS 100           HE1      HIS 100 -26.920   9.115 -15.772
  778    HE2  HIS 100           HE2      HIS 100 -24.730   7.825 -15.572
  779    H    SER 101           H        SER 101 -25.078  10.979 -11.038
  780    HA   SER 101           HA       SER 101 -27.362  12.798 -10.936
  781    HB2  SER 101           HB2      SER 101 -28.980  11.026 -11.523
  782    HB3  SER 101           HB3      SER 101 -27.888  11.387 -12.878
  783    HG   SER 101           HG       SER 101 -28.117   9.137 -12.534
  784    H5'    U 102           H5'        U 102 -13.617  -4.605 -11.736
  785   H5''    U 102          H5''        U 102 -14.716  -3.323 -11.192
  786    H4'    U 102           H4'        U 102 -11.739  -3.372 -10.536
  787    H3'    U 102           H3'        U 102 -13.390  -5.302  -9.582
  788    H2'    U 102           H2'        U 102 -15.176  -3.779  -9.070
  789   HO2'    U 102          HO2'        U 102 -13.625  -4.208  -6.722
  790    H1'    U 102           H1'        U 102 -13.157  -2.026  -7.648
  791    H3     U 102           H3         U 102 -15.722   1.874  -9.056
  792    H5     U 102           H5         U 102 -18.190  -1.114  -7.445
  793    H6     U 102           H6         U 102 -16.328  -2.654  -7.584
  794   HO5'    U 102          HO5'        U 102 -13.841  -2.921 -13.282
  795    H5'    G 103           H5'        G 103  -8.806  -3.186  -7.208
  796   H5''    G 103          H5''        G 103 -10.460  -2.555  -7.289
  797    H4'    G 103           H4'        G 103  -9.031  -0.682  -7.495
  798    H3'    G 103           H3'        G 103 -10.671  -1.481  -9.756
  799    H2'    G 103           H2'        G 103  -8.837  -1.682 -11.102
  800   HO2'    G 103          HO2'        G 103  -9.184   1.123 -11.128
  801    H1'    G 103           H1'        G 103  -7.662   0.492  -9.316
  802    H8     G 103           H8         G 103  -5.785   1.528 -10.351
  803    H1     G 103           H1         G 103  -4.143  -3.723 -13.670
  804    H21    G 103           H21        G 103  -5.609  -5.364 -13.231
  805    H22    G 103           H22        G 103  -6.941  -5.118 -12.124
  806    H5'    G 104           H5'        G 104 -10.831   2.616  -6.527
  807   H5''    G 104          H5''        G 104 -12.371   2.693  -7.407
  808    H4'    G 104           H4'        G 104 -12.091   4.783  -6.143
  809    H3'    G 104           H3'        G 104 -11.533   5.070  -9.104
  810    H2'    G 104           H2'        G 104 -11.066   7.331  -8.737
  811   HO2'    G 104          HO2'        G 104 -11.966   8.443  -6.929
  812    H1'    G 104           H1'        G 104 -10.541   6.969  -5.935
  813    H8     G 104           H8         G 104  -8.987   9.015  -6.268
  814    H1     G 104           H1         G 104  -5.428   5.924 -10.626
  815    H21    G 104           H21        G 104  -6.299   3.994 -11.083
  816    H22    G 104           H22        G 104  -7.780   3.430 -10.316
  817    H5'    A 105           H5'        A 105 -13.549   8.120  -8.935
  818   H5''    A 105          H5''        A 105 -14.683   7.467  -7.765
  819    H4'    A 105           H4'        A 105 -14.953   9.786  -9.662
  820    H3'    A 105           H3'        A 105 -14.481   9.718  -7.076
  821    H2'    A 105           H2'        A 105 -16.115   8.113  -6.431
  822   HO2'    A 105          HO2'        A 105 -17.188  10.704  -6.216
  823    H1'    A 105           H1'        A 105 -18.363   9.320  -8.000
  824    H8     A 105           H8         A 105 -16.117   6.301  -7.404
  825    H61    A 105           H61        A 105 -21.161   2.774  -8.255
  826    H62    A 105           H62        A 105 -19.441   2.749  -7.904
  827    H2     A 105           H2         A 105 -22.292   7.030  -8.798
  828    H5'    G 106           H5'        G 106 -13.301  11.488  -5.552
  829   H5''    G 106          H5''        G 106 -15.020  11.189  -5.263
  830    H4'    G 106           H4'        G 106 -14.979  12.338  -3.348
  831    H3'    G 106           H3'        G 106 -14.920  14.540  -4.943
  832    H2'    G 106           H2'        G 106 -12.728  14.123  -5.711
  833   HO2'    G 106          HO2'        G 106 -12.413  16.055  -3.663
  834    H1'    G 106           H1'        G 106 -11.570  13.946  -2.954
  835    H8     G 106           H8         G 106 -11.758  12.408  -6.530
  836    H1     G 106           H1         G 106  -6.325  11.290  -3.278
  837    H21    G 106           H21        G 106  -6.445  12.240  -1.273
  838    H22    G 106           H22        G 106  -7.906  13.037  -0.714
  839    H5'    U 107           H5'        U 107 -17.114  17.282  -1.257
  840   H5''    U 107          H5''        U 107 -17.231  18.036  -2.867
  841    H4'    U 107           H4'        U 107 -14.694  17.099  -1.457
  842    H3'    U 107           H3'        U 107 -15.921  19.573  -1.141
  843   HO3'    U 107          HO3'        U 107 -13.820  20.342  -0.797
  844    H2'    U 107           H2'        U 107 -16.052  19.879  -3.450
  845   HO2'    U 107          HO2'        U 107 -15.142  21.753  -2.551
  846    H1'    U 107           H1'        U 107 -13.146  18.980  -3.504
  847    H3     U 107           H3         U 107 -16.223  19.467  -7.860
  848    H5     U 107           H5         U 107 -12.035  19.116  -7.872
  849    H6     U 107           H6         U 107 -12.126  18.777  -5.466
  Start of MODEL   19
    1    H    MET   1           H1       MET   1 -16.204  19.319   4.836
    2    HA   MET   1           HA       MET   1 -17.272  16.593   4.628
    3    HB2  MET   1           HB2      MET   1 -16.738  18.686   2.486
    4    HB3  MET   1           HB3      MET   1 -17.147  16.982   2.180
    5    HG2  MET   1           HG2      MET   1 -19.295  17.269   3.338
    6    HG3  MET   1           HG3      MET   1 -18.877  18.942   3.739
    7    HE1  MET   1           HE1      MET   1 -19.833  16.396   0.938
    8    HE2  MET   1           HE2      MET   1 -19.820  17.399  -0.532
    9    HE3  MET   1           HE3      MET   1 -18.295  17.019   0.303
   10    H    SER   2           H        SER   2 -15.604  15.364   5.311
   11    HA   SER   2           HA       SER   2 -12.853  15.969   5.081
   12    HB2  SER   2           HB2      SER   2 -14.224  13.257   5.155
   13    HB3  SER   2           HB3      SER   2 -12.519  13.581   5.531
   14    HG   SER   2           HG       SER   2 -13.816  13.521   7.414
   15    H    TYR   3           H        TYR   3 -11.354  15.687   3.604
   16    HA   TYR   3           HA       TYR   3 -10.469  15.685   1.518
   17    HB2  TYR   3           HB2      TYR   3 -11.742  12.934   1.482
   18    HB3  TYR   3           HB3      TYR   3 -10.386  13.469   0.501
   19    HD1  TYR   3           HD2      TYR   3  -9.547  15.110   3.350
   20    HD2  TYR   3           HD1      TYR   3 -10.053  11.069   1.977
   21    HE1  TYR   3           HE2      TYR   3  -7.910  14.334   5.045
   22    HE2  TYR   3           HE1      TYR   3  -8.380  10.287   3.639
   23    HH   TYR   3           HH       TYR   3  -6.979  10.887   5.352
   24    H    GLY   4           H        GLY   4 -13.159  16.867   1.570
   25    HA2  GLY   4           HA2      GLY   4 -14.546  15.944  -0.805
   26    HA3  GLY   4           HA3      GLY   4 -14.958  17.345   0.203
   27    H    ARG   5           H        ARG   5 -12.253  16.293  -1.891
   28    HA   ARG   5           HA       ARG   5 -12.024  16.915  -4.119
   29    HB2  ARG   5           HB2      ARG   5 -13.110  19.647  -3.411
   30    HB3  ARG   5           HB3      ARG   5 -12.593  19.091  -5.006
   31    HG2  ARG   5           HG2      ARG   5 -14.371  17.619  -5.285
   32    HG3  ARG   5           HG3      ARG   5 -14.699  17.479  -3.553
   33    HD2  ARG   5           HD2      ARG   5 -16.431  18.816  -4.449
   34    HD3  ARG   5           HD3      ARG   5 -15.378  19.865  -3.507
   35    HE   ARG   5           HE       ARG   5 -14.292  20.313  -5.885
   36   HH11  ARG   5          HH11      ARG   5 -17.725  19.936  -5.154
   37   HH12  ARG   5          HH12      ARG   5 -18.237  21.012  -6.439
   38   HH21  ARG   5          HH21      ARG   5 -14.978  21.672  -7.569
   39   HH22  ARG   5          HH22      ARG   5 -16.684  21.962  -7.820
   40    HA   PRO   6           HA       PRO   6  -8.521  19.632  -2.339
   41    HB2  PRO   6           HB2      PRO   6  -6.855  18.026  -0.898
   42    HB3  PRO   6           HB3      PRO   6  -8.267  18.862  -0.167
   43    HG2  PRO   6           HG2      PRO   6  -8.106  16.010  -1.176
   44    HG3  PRO   6           HG3      PRO   6  -8.725  16.586   0.407
   45    HD2  PRO   6           HD2      PRO   6 -10.389  16.074  -1.704
   46    HD3  PRO   6           HD3      PRO   6 -10.701  17.431  -0.569
   47    HA   PRO   7           HA       PRO   7  -6.277  17.966  -5.781
   48    HB2  PRO   7           HB2      PRO   7  -4.073  19.562  -5.808
   49    HB3  PRO   7           HB3      PRO   7  -5.717  20.214  -6.132
   50    HG2  PRO   7           HG2      PRO   7  -4.178  20.242  -3.521
   51    HG3  PRO   7           HG3      PRO   7  -5.012  21.613  -4.330
   52    HD2  PRO   7           HD2      PRO   7  -6.182  20.148  -2.329
   53    HD3  PRO   7           HD3      PRO   7  -7.137  20.799  -3.699
   54    HA   PRO   8           HA       PRO   8  -3.295  15.109  -4.064
   55    HB2  PRO   8           HB2      PRO   8  -2.705  13.765  -6.317
   56    HB3  PRO   8           HB3      PRO   8  -4.379  13.746  -5.673
   57    HG2  PRO   8           HG2      PRO   8  -3.247  15.543  -7.850
   58    HG3  PRO   8           HG3      PRO   8  -4.723  14.524  -7.926
   59    HD2  PRO   8           HD2      PRO   8  -4.752  17.193  -7.259
   60    HD3  PRO   8           HD3      PRO   8  -5.913  16.018  -6.559
   61    H    ASP   9           H        ASP   9  -1.021  14.260  -5.184
   62    HA   ASP   9           HA       ASP   9   0.515  16.618  -6.135
   63    HB2  ASP   9           HB2      ASP   9   0.810  16.243  -3.676
   64    HB3  ASP   9           HB3      ASP   9   1.435  14.626  -4.024
   65    H    VAL  10           H        VAL  10  -0.779  14.081  -7.236
   66    HA   VAL  10           HA       VAL  10   1.149  12.133  -7.953
   67    HB   VAL  10           HB       VAL  10  -0.567  11.521  -9.672
   68   HG11  VAL  10          HG11      VAL  10  -1.591  12.111  -6.864
   69   HG12  VAL  10          HG12      VAL  10  -2.411  11.079  -8.044
   70   HG13  VAL  10          HG13      VAL  10  -0.803  10.622  -7.437
   71   HG21  VAL  10          HG21      VAL  10  -2.061  13.962  -8.591
   72   HG22  VAL  10          HG22      VAL  10  -1.363  13.817 -10.224
   73   HG23  VAL  10          HG23      VAL  10  -2.696  12.768  -9.729
   74    H    GLU  11           H        GLU  11   1.043  15.344  -8.942
   75    HA   GLU  11           HA       GLU  11   1.620  15.110 -11.727
   76    HB2  GLU  11           HB2      GLU  11   2.339  17.481 -11.467
   77    HB3  GLU  11           HB3      GLU  11   0.760  17.155 -10.735
   78    HG2  GLU  11           HG2      GLU  11   1.772  16.988  -8.512
   79    HG3  GLU  11           HG3      GLU  11   3.386  17.244  -9.188
   80    H    GLY  12           H        GLY  12   3.520  13.932  -9.235
   81    HA2  GLY  12           HA2      GLY  12   5.788  13.618 -10.930
   82    HA3  GLY  12           HA3      GLY  12   6.083  14.967  -9.818
   83    H    MET  13           H        MET  13   4.247  11.945  -9.043
   84    HA   MET  13           HA       MET  13   6.541  11.052  -7.412
   85    HB2  MET  13           HB2      MET  13   5.182  10.909  -5.377
   86    HB3  MET  13           HB3      MET  13   5.361  12.565  -5.956
   87    HG2  MET  13           HG2      MET  13   3.140  12.363  -5.265
   88    HG3  MET  13           HG3      MET  13   3.094  12.367  -7.032
   89    HE1  MET  13           HE1      MET  13   0.500  11.718  -5.825
   90    HE2  MET  13           HE2      MET  13   0.198  10.090  -5.167
   91    HE3  MET  13           HE3      MET  13   1.200  11.232  -4.263
   92    H    THR  14           H        THR  14   6.147   8.935  -6.345
   93    HA   THR  14           HA       THR  14   5.287   7.046  -8.352
   94    HB   THR  14           HB       THR  14   6.151   6.614  -5.479
   95   HG21  THR  14          HG21      THR  14   5.877   4.709  -7.850
   96   HG22  THR  14          HG22      THR  14   6.597   4.289  -6.277
   97   HG23  THR  14          HG23      THR  14   4.880   4.685  -6.386
   98    H    SER  15           H        SER  15   3.110   7.265  -8.651
   99    HA   SER  15           HA       SER  15   1.142   7.218  -6.540
  100    HB2  SER  15           HB2      SER  15   0.922   6.698  -9.532
  101    HB3  SER  15           HB3      SER  15  -0.455   6.828  -8.419
  102    HG   SER  15           HG       SER  15   1.517   8.829  -8.844
  103    H    LEU  16           H        LEU  16   1.767   5.395  -5.247
  104    HA   LEU  16           HA       LEU  16   1.320   2.751  -6.585
  105    HB2  LEU  16           HB2      LEU  16   3.499   2.915  -5.699
  106    HB3  LEU  16           HB3      LEU  16   2.949   3.561  -4.165
  107    HG   LEU  16           HG       LEU  16   3.767   1.231  -4.099
  108   HD11  LEU  16          HD11      LEU  16   0.845   1.353  -3.291
  109   HD12  LEU  16          HD12      LEU  16   2.156   0.390  -2.579
  110   HD13  LEU  16          HD13      LEU  16   2.166   2.151  -2.402
  111   HD21  LEU  16          HD21      LEU  16   2.901   0.471  -6.261
  112   HD22  LEU  16          HD22      LEU  16   2.436  -0.604  -4.914
  113   HD23  LEU  16          HD23      LEU  16   1.240   0.509  -5.602
  114    H    LYS  17           H        LYS  17  -0.255   1.416  -5.910
  115    HA   LYS  17           HA       LYS  17  -2.106   2.565  -3.870
  116    HB2  LYS  17           HB2      LYS  17  -3.981   2.315  -5.404
  117    HB3  LYS  17           HB3      LYS  17  -2.731   3.339  -6.108
  118    HG2  LYS  17           HG2      LYS  17  -3.096   1.996  -7.939
  119    HG3  LYS  17           HG3      LYS  17  -1.901   0.992  -7.125
  120    HD2  LYS  17           HD2      LYS  17  -4.003  -0.088  -5.943
  121    HD3  LYS  17           HD3      LYS  17  -4.905   0.700  -7.257
  122    HE2  LYS  17           HE2      LYS  17  -3.477  -0.495  -8.914
  123    HE3  LYS  17           HE3      LYS  17  -2.566  -1.225  -7.583
  124    HZ1  LYS  17           HZ1      LYS  17  -4.216  -2.759  -8.333
  125    HZ2  LYS  17           HZ2      LYS  17  -4.689  -2.209  -6.848
  126    HZ3  LYS  17           HZ3      LYS  17  -5.418  -1.655  -8.197
  127    H    VAL  18           H        VAL  18  -3.732   1.195  -3.039
  128    HA   VAL  18           HA       VAL  18  -2.994  -1.694  -3.172
  129    HB   VAL  18           HB       VAL  18  -2.671  -1.934  -0.935
  130   HG11  VAL  18          HG11      VAL  18  -1.296  -0.114  -0.027
  131   HG12  VAL  18          HG12      VAL  18  -0.922  -0.352  -1.746
  132   HG13  VAL  18          HG13      VAL  18  -1.935   1.015  -1.232
  133   HG21  VAL  18          HG21      VAL  18  -4.775  -1.169  -0.092
  134   HG22  VAL  18          HG22      VAL  18  -3.497  -0.315   0.798
  135   HG23  VAL  18          HG23      VAL  18  -4.401   0.516  -0.493
  136    H    ASP  19           H        ASP  19  -4.598  -3.165  -2.421
  137    HA   ASP  19           HA       ASP  19  -7.361  -2.223  -2.056
  138    HB2  ASP  19           HB2      ASP  19  -6.502  -4.005  -4.374
  139    HB3  ASP  19           HB3      ASP  19  -8.162  -3.551  -3.974
  140    H    ASN  20           H        ASN  20  -8.738  -4.487  -2.287
  141    HA   ASN  20           HA       ASN  20  -9.064  -6.672  -1.861
  142    HB2  ASN  20           HB2      ASN  20  -6.321  -6.717  -2.234
  143    HB3  ASN  20           HB3      ASN  20  -6.490  -7.385  -0.607
  144   HD21  ASN  20          HD22      ASN  20  -5.913  -9.454  -1.131
  145   HD22  ASN  20          HD21      ASN  20  -6.822 -10.467  -2.243
  146    H    LEU  21           H        LEU  21  -9.462  -4.438   0.017
  147    HA   LEU  21           HA       LEU  21  -8.900  -4.998   2.692
  148    HB2  LEU  21           HB2      LEU  21 -11.298  -3.762   1.296
  149    HB3  LEU  21           HB3      LEU  21 -11.184  -3.832   3.046
  150    HG   LEU  21           HG       LEU  21 -10.434  -1.681   1.738
  151   HD11  LEU  21          HD11      LEU  21  -8.821  -2.871   4.004
  152   HD12  LEU  21          HD12      LEU  21  -8.978  -1.137   3.606
  153   HD13  LEU  21          HD13      LEU  21 -10.397  -2.047   4.157
  154   HD21  LEU  21          HD21      LEU  21  -8.704  -2.755   0.290
  155   HD22  LEU  21          HD22      LEU  21  -8.005  -1.547   1.378
  156   HD23  LEU  21          HD23      LEU  21  -7.826  -3.265   1.759
  157    H    THR  22           H        THR  22  -9.432  -6.591   4.035
  158    HA   THR  22           HA       THR  22 -11.226  -8.666   3.133
  159    HB   THR  22           HB       THR  22  -9.926  -8.355   5.869
  160   HG21  THR  22          HG21      THR  22  -9.782 -10.928   5.510
  161   HG22  THR  22          HG22      THR  22 -11.361 -10.233   5.931
  162   HG23  THR  22          HG23      THR  22 -10.986 -10.684   4.241
  163    H    TYR  23           H        TYR  23 -12.844  -9.548   4.884
  164    HA   TYR  23           HA       TYR  23 -14.979  -7.704   5.015
  165    HB2  TYR  23           HB2      TYR  23 -16.131  -9.543   6.172
  166    HB3  TYR  23           HB3      TYR  23 -15.246 -10.114   4.760
  167    HD1  TYR  23           HD1      TYR  23 -15.321 -10.066   8.464
  168    HD2  TYR  23           HD2      TYR  23 -13.368 -11.615   4.957
  169    HE1  TYR  23           HE1      TYR  23 -14.133 -11.735   9.866
  170    HE2  TYR  23           HE2      TYR  23 -12.187 -13.291   6.350
  171    HH   TYR  23           HH       TYR  23 -12.667 -13.487   9.902
  172    H    ARG  24           H        ARG  24 -12.336  -7.345   6.898
  173    HA   ARG  24           HA       ARG  24 -13.933  -6.434   9.232
  174    HB2  ARG  24           HB2      ARG  24 -12.370  -7.442  10.746
  175    HB3  ARG  24           HB3      ARG  24 -12.849  -8.697   9.588
  176    HG2  ARG  24           HG2      ARG  24 -10.741  -8.047   8.241
  177    HG3  ARG  24           HG3      ARG  24 -10.261  -7.095   9.658
  178    HD2  ARG  24           HD2      ARG  24 -10.632  -9.242  11.017
  179    HD3  ARG  24           HD3      ARG  24 -10.713 -10.078   9.458
  180    HE   ARG  24           HE       ARG  24  -8.341  -8.936  10.772
  181   HH11  ARG  24          HH11      ARG  24  -9.706 -10.155   7.753
  182   HH12  ARG  24          HH12      ARG  24  -8.138 -10.357   6.994
  183   HH21  ARG  24          HH21      ARG  24  -6.299  -9.243   9.754
  184   HH22  ARG  24          HH22      ARG  24  -6.232  -9.856   8.121
  185    H    THR  25           H        THR  25 -12.429  -5.177   6.786
  186    HA   THR  25           HA       THR  25 -10.506  -3.515   8.356
  187    HB   THR  25           HB       THR  25 -10.249  -3.991   5.393
  188   HG21  THR  25          HG21      THR  25  -8.287  -3.536   7.695
  189   HG22  THR  25          HG22      THR  25  -7.841  -3.745   5.982
  190   HG23  THR  25          HG23      THR  25  -8.783  -2.323   6.497
  191    H    SER  26           H        SER  26 -10.024  -1.369   7.336
  192    HA   SER  26           HA       SER  26 -12.271  -0.019   5.987
  193    HB2  SER  26           HB2      SER  26 -12.684   1.454   7.916
  194    HB3  SER  26           HB3      SER  26 -12.857  -0.222   8.457
  195    HG   SER  26           HG       SER  26 -11.562   0.989   9.878
  196    HA   PRO  27           HA       PRO  27  -9.022   2.508   4.574
  197    HB2  PRO  27           HB2      PRO  27  -9.937   5.106   4.669
  198    HB3  PRO  27           HB3      PRO  27 -10.515   3.890   3.492
  199    HG2  PRO  27           HG2      PRO  27 -11.786   4.765   6.097
  200    HG3  PRO  27           HG3      PRO  27 -12.587   4.478   4.521
  201    HD2  PRO  27           HD2      PRO  27 -12.602   2.657   6.544
  202    HD3  PRO  27           HD3      PRO  27 -12.546   2.139   4.838
  203    H    ASP  28           H        ASP  28 -10.352   3.473   7.725
  204    HA   ASP  28           HA       ASP  28  -8.191   5.252   8.420
  205    HB2  ASP  28           HB2      ASP  28 -10.432   5.170   9.562
  206    HB3  ASP  28           HB3      ASP  28  -9.955   3.601  10.261
  207    H    THR  29           H        THR  29  -8.762   1.746   8.705
  208    HA   THR  29           HA       THR  29  -6.340   1.292  10.273
  209    HB   THR  29           HB       THR  29  -8.120  -0.608   8.694
  210   HG21  THR  29          HG21      THR  29  -5.908  -1.556   9.026
  211   HG22  THR  29          HG22      THR  29  -5.905  -1.068  10.735
  212   HG23  THR  29          HG23      THR  29  -7.020  -2.337  10.154
  213    H    LEU  30           H        LEU  30  -7.355   0.956   6.815
  214    HA   LEU  30           HA       LEU  30  -4.888  -0.078   5.901
  215    HB2  LEU  30           HB2      LEU  30  -7.352   0.977   4.814
  216    HB3  LEU  30           HB3      LEU  30  -6.014   1.696   3.925
  217    HG   LEU  30           HG       LEU  30  -6.903  -0.411   2.928
  218   HD11  LEU  30          HD11      LEU  30  -4.713  -1.489   2.552
  219   HD12  LEU  30          HD12      LEU  30  -4.614   0.281   2.453
  220   HD13  LEU  30          HD13      LEU  30  -4.037  -0.557   3.914
  221   HD21  LEU  30          HD21      LEU  30  -7.342  -1.525   5.162
  222   HD22  LEU  30          HD22      LEU  30  -6.515  -2.546   3.951
  223   HD23  LEU  30          HD23      LEU  30  -5.595  -1.830   5.294
  224    H    ARG  31           H        ARG  31  -5.666   3.096   7.083
  225    HA   ARG  31           HA       ARG  31  -3.467   4.416   5.672
  226    HB2  ARG  31           HB2      ARG  31  -5.745   5.378   6.627
  227    HB3  ARG  31           HB3      ARG  31  -4.848   5.500   8.141
  228    HG2  ARG  31           HG2      ARG  31  -4.158   6.794   5.467
  229    HG3  ARG  31           HG3      ARG  31  -4.762   7.607   6.919
  230    HD2  ARG  31           HD2      ARG  31  -2.634   6.889   8.099
  231    HD3  ARG  31           HD3      ARG  31  -2.040   6.316   6.530
  232    HE   ARG  31           HE       ARG  31  -1.748   8.481   5.795
  233   HH11  ARG  31          HH11      ARG  31  -3.444   8.487   8.894
  234   HH12  ARG  31          HH12      ARG  31  -3.268  10.214   9.125
  235   HH21  ARG  31          HH21      ARG  31  -1.550  10.741   6.113
  236   HH22  ARG  31          HH22      ARG  31  -2.196  11.483   7.557
  237    H    ARG  32           H        ARG  32  -4.203   3.594   9.137
  238    HA   ARG  32           HA       ARG  32  -1.642   4.348  10.103
  239    HB2  ARG  32           HB2      ARG  32  -2.333   3.458  12.142
  240    HB3  ARG  32           HB3      ARG  32  -3.886   3.810  11.347
  241    HG2  ARG  32           HG2      ARG  32  -3.928   1.450  10.517
  242    HG3  ARG  32           HG3      ARG  32  -2.460   1.111  11.465
  243    HD2  ARG  32           HD2      ARG  32  -5.091   2.067  12.564
  244    HD3  ARG  32           HD3      ARG  32  -4.495   0.373  12.547
  245    HE   ARG  32           HE       ARG  32  -2.514   1.906  13.813
  246   HH11  ARG  32          HH11      ARG  32  -5.907   1.077  14.406
  247   HH12  ARG  32          HH12      ARG  32  -5.748   1.204  16.141
  248   HH21  ARG  32          HH21      ARG  32  -2.347   2.058  16.082
  249   HH22  ARG  32          HH22      ARG  32  -3.741   1.749  17.087
  250    H    VAL  33           H        VAL  33  -2.823   1.408   8.557
  251    HA   VAL  33           HA       VAL  33  -0.713  -0.286   9.521
  252    HB   VAL  33           HB       VAL  33  -2.853  -0.564   7.386
  253   HG11  VAL  33          HG11      VAL  33  -0.824  -2.631   8.314
  254   HG12  VAL  33          HG12      VAL  33  -2.270  -2.980   7.334
  255   HG13  VAL  33          HG13      VAL  33  -0.982  -1.955   6.672
  256   HG21  VAL  33          HG21      VAL  33  -3.537  -0.562   9.800
  257   HG22  VAL  33          HG22      VAL  33  -3.817  -2.127   9.004
  258   HG23  VAL  33          HG23      VAL  33  -2.421  -1.906  10.096
  259    H    PHE  34           H        PHE  34  -1.323   1.623   6.546
  260    HA   PHE  34           HA       PHE  34   1.194   0.610   5.341
  261    HB2  PHE  34           HB2      PHE  34  -1.331   1.911   4.370
  262    HB3  PHE  34           HB3      PHE  34   0.107   2.175   3.438
  263    HD1  PHE  34           HD2      PHE  34  -2.147  -0.444   4.777
  264    HD2  PHE  34           HD1      PHE  34   1.056   0.424   2.042
  265    HE1  PHE  34           HE2      PHE  34  -2.492  -2.647   3.657
  266    HE2  PHE  34           HE1      PHE  34   0.722  -1.776   0.946
  267    HZ   PHE  34           HZ       PHE  34  -1.056  -3.296   1.739
  268    H    GLU  35           H        GLU  35   0.141   3.280   7.230
  269    HA   GLU  35           HA       GLU  35   1.847   5.286   6.031
  270    HB2  GLU  35           HB2      GLU  35  -0.085   5.908   7.350
  271    HB3  GLU  35           HB3      GLU  35   0.515   4.977   8.748
  272    HG2  GLU  35           HG2      GLU  35   2.350   6.525   9.053
  273    HG3  GLU  35           HG3      GLU  35   1.944   7.362   7.537
  274    H    LYS  36           H        LYS  36   2.360   2.649   8.351
  275    HA   LYS  36           HA       LYS  36   4.641   3.797   9.646
  276    HB2  LYS  36           HB2      LYS  36   5.029   1.560  10.503
  277    HB3  LYS  36           HB3      LYS  36   3.300   1.967  10.596
  278    HG2  LYS  36           HG2      LYS  36   2.908   0.636   8.521
  279    HG3  LYS  36           HG3      LYS  36   4.635   0.219   8.486
  280    HD2  LYS  36           HD2      LYS  36   4.440  -0.840  10.708
  281    HD3  LYS  36           HD3      LYS  36   2.709  -0.425  10.758
  282    HE2  LYS  36           HE2      LYS  36   2.320  -1.796   8.745
  283    HE3  LYS  36           HE3      LYS  36   4.049  -2.183   8.662
  284    HZ1  LYS  36           HZ1      LYS  36   2.257  -2.890  10.890
  285    HZ2  LYS  36           HZ2      LYS  36   2.804  -3.932   9.741
  286    HZ3  LYS  36           HZ3      LYS  36   3.855  -3.250  10.797
  287    H    TYR  37           H        TYR  37   4.251   2.225   6.566
  288    HA   TYR  37           HA       TYR  37   7.031   1.474   6.242
  289    HB2  TYR  37           HB2      TYR  37   4.772   1.887   4.250
  290    HB3  TYR  37           HB3      TYR  37   6.367   1.254   3.835
  291    HD1  TYR  37           HD1      TYR  37   3.271   0.570   5.778
  292    HD2  TYR  37           HD2      TYR  37   6.992  -0.998   4.298
  293    HE1  TYR  37           HE1      TYR  37   2.568  -1.697   6.445
  294    HE2  TYR  37           HE2      TYR  37   6.289  -3.286   4.951
  295    HH   TYR  37           HH       TYR  37   3.155  -3.935   6.569
  296    H    GLY  38           H        GLY  38   5.206   4.455   5.849
  297    HA2  GLY  38           HA2      GLY  38   7.484   6.073   5.806
  298    HA3  GLY  38           HA3      GLY  38   7.095   5.766   4.109
  299    H    ARG  39           H        ARG  39   4.904   6.350   3.323
  300    HA   ARG  39           HA       ARG  39   3.299   8.144   4.983
  301    HB2  ARG  39           HB2      ARG  39   3.592  10.002   3.245
  302    HB3  ARG  39           HB3      ARG  39   4.896   9.764   4.419
  303    HG2  ARG  39           HG2      ARG  39   6.240   8.553   2.790
  304    HG3  ARG  39           HG3      ARG  39   4.913   8.585   1.612
  305    HD2  ARG  39           HD2      ARG  39   6.577  10.285   1.093
  306    HD3  ARG  39           HD3      ARG  39   5.043  11.057   1.551
  307    HE   ARG  39           HE       ARG  39   6.227  11.145   3.915
  308   HH11  ARG  39          HH11      ARG  39   7.740  11.695   0.751
  309   HH12  ARG  39          HH12      ARG  39   8.913  12.817   1.387
  310   HH21  ARG  39          HH21      ARG  39   7.780  12.616   4.704
  311   HH22  ARG  39          HH22      ARG  39   8.949  13.318   3.612
  312    H    VAL  40           H        VAL  40   1.471   9.012   3.808
  313    HA   VAL  40           HA       VAL  40   0.574   7.406   1.468
  314    HB   VAL  40           HB       VAL  40  -0.861   7.790   4.133
  315   HG11  VAL  40          HG11      VAL  40  -2.496   8.155   2.380
  316   HG12  VAL  40          HG12      VAL  40  -1.928   6.715   1.499
  317   HG13  VAL  40          HG13      VAL  40  -2.748   6.552   3.066
  318   HG21  VAL  40          HG21      VAL  40   0.697   5.871   4.093
  319   HG22  VAL  40          HG22      VAL  40  -0.984   5.309   4.090
  320   HG23  VAL  40          HG23      VAL  40  -0.044   5.297   2.581
  321    H    GLY  41           H        GLY  41  -0.477   8.701  -0.008
  322    HA2  GLY  41           HA2      GLY  41  -0.683  11.573   0.632
  323    HA3  GLY  41           HA3      GLY  41  -0.907  10.795  -0.953
  324    H    ASP  42           H        ASP  42  -2.762   8.785  -0.179
  325    HA   ASP  42           HA       ASP  42  -5.006   9.986   1.221
  326    HB2  ASP  42           HB2      ASP  42  -5.046   9.501  -1.789
  327    HB3  ASP  42           HB3      ASP  42  -6.515   9.599  -0.813
  328    H    VAL  43           H        VAL  43  -6.754   8.474   1.426
  329    HA   VAL  43           HA       VAL  43  -6.265   5.672   0.656
  330    HB   VAL  43           HB       VAL  43  -5.248   5.611   2.726
  331   HG11  VAL  43          HG11      VAL  43  -7.579   7.213   3.858
  332   HG12  VAL  43          HG12      VAL  43  -6.292   6.456   4.825
  333   HG13  VAL  43          HG13      VAL  43  -5.882   7.747   3.683
  334   HG21  VAL  43          HG21      VAL  43  -6.507   4.042   3.909
  335   HG22  VAL  43          HG22      VAL  43  -8.059   4.806   3.475
  336   HG23  VAL  43          HG23      VAL  43  -7.134   3.918   2.247
  337    H    TYR  44           H        TYR  44  -7.658   6.273  -0.864
  338    HA   TYR  44           HA       TYR  44 -10.254   7.470  -0.353
  339    HB2  TYR  44           HB2      TYR  44  -8.427   7.834  -2.154
  340    HB3  TYR  44           HB3      TYR  44  -8.979   6.338  -2.876
  341    HD1  TYR  44           HD1      TYR  44 -11.835   6.481  -3.089
  342    HD2  TYR  44           HD2      TYR  44  -9.001   9.731  -3.281
  343    HE1  TYR  44           HE1      TYR  44 -13.330   7.720  -4.615
  344    HE2  TYR  44           HE2      TYR  44 -10.462  10.920  -4.875
  345    HH   TYR  44           HH       TYR  44 -13.571   9.515  -5.974
  346    H    ILE  45           H        ILE  45 -12.236   6.444  -0.561
  347    HA   ILE  45           HA       ILE  45 -12.330   3.675  -1.621
  348    HB   ILE  45           HB       ILE  45 -13.784   4.574   0.902
  349   HG12  ILE  45          HG12      ILE  45 -11.383   2.766   0.503
  350   HG13  ILE  45          HG13      ILE  45 -11.519   4.189   1.561
  351   HG21  ILE  45          HG21      ILE  45 -13.643   1.847  -0.456
  352   HG22  ILE  45          HG22      ILE  45 -14.627   2.286   0.963
  353   HG23  ILE  45          HG23      ILE  45 -15.009   2.980  -0.609
  354   HD11  ILE  45          HD11      ILE  45 -12.911   1.495   1.909
  355   HD12  ILE  45          HD12      ILE  45 -11.624   2.169   2.905
  356   HD13  ILE  45          HD13      ILE  45 -13.234   2.945   2.902
  357    HA   PRO  46           HA       PRO  46 -15.590   5.719  -3.979
  358    HB2  PRO  46           HB2      PRO  46 -16.565   2.857  -3.967
  359    HB3  PRO  46           HB3      PRO  46 -16.547   4.027  -5.332
  360    HG2  PRO  46           HG2      PRO  46 -14.613   2.121  -5.153
  361    HG3  PRO  46           HG3      PRO  46 -14.180   3.812  -5.566
  362    HD2  PRO  46           HD2      PRO  46 -13.978   2.387  -2.897
  363    HD3  PRO  46           HD3      PRO  46 -12.800   3.491  -3.672
  364    H    ARG  47           H        ARG  47 -17.772   6.297  -3.627
  365    HA   ARG  47           HA       ARG  47 -19.095   5.189  -1.214
  366    HB2  ARG  47           HB2      ARG  47 -18.728   8.140  -1.866
  367    HB3  ARG  47           HB3      ARG  47 -19.722   7.508  -0.548
  368    HG2  ARG  47           HG2      ARG  47 -17.745   6.558   0.547
  369    HG3  ARG  47           HG3      ARG  47 -16.717   7.070  -0.811
  370    HD2  ARG  47           HD2      ARG  47 -17.278   9.426  -0.388
  371    HD3  ARG  47           HD3      ARG  47 -18.355   8.944   0.936
  372    HE   ARG  47           HE       ARG  47 -16.546   8.685   2.326
  373   HH11  ARG  47          HH11      ARG  47 -15.337   8.737  -1.021
  374   HH12  ARG  47          HH12      ARG  47 -13.681   8.950  -0.516
  375   HH21  ARG  47          HH21      ARG  47 -14.361   8.920   2.907
  376   HH22  ARG  47          HH22      ARG  47 -13.122   8.991   1.675
  377    H    ASP  48           H        ASP  48 -19.309   5.048  -4.257
  378    HA   ASP  48           HA       ASP  48 -20.794   5.349  -5.949
  379    HB2  ASP  48           HB2      ASP  48 -22.526   4.379  -3.688
  380    HB3  ASP  48           HB3      ASP  48 -23.012   4.346  -5.399
  381    H    ARG  49           H        ARG  49 -20.283   7.726  -4.432
  382    HA   ARG  49           HA       ARG  49 -20.926   9.775  -4.014
  383    HB2  ARG  49           HB2      ARG  49 -21.023  10.962  -5.965
  384    HB3  ARG  49           HB3      ARG  49 -20.470   9.374  -6.533
  385    HG2  ARG  49           HG2      ARG  49 -22.888   8.864  -7.093
  386    HG3  ARG  49           HG3      ARG  49 -23.224  10.592  -6.787
  387    HD2  ARG  49           HD2      ARG  49 -21.536  11.223  -8.435
  388    HD3  ARG  49           HD3      ARG  49 -21.183   9.517  -8.774
  389    HE   ARG  49           HE       ARG  49 -23.838   9.596  -9.273
  390   HH11  ARG  49          HH11      ARG  49 -21.256  11.803 -10.271
  391   HH12  ARG  49          HH12      ARG  49 -22.089  12.294 -11.729
  392   HH21  ARG  49          HH21      ARG  49 -24.868  10.215 -11.192
  393   HH22  ARG  49          HH22      ARG  49 -24.125  11.391 -12.252
  394    H    TYR  50           H        TYR  50 -23.385   7.690  -3.723
  395    HA   TYR  50           HA       TYR  50 -24.982   9.622  -2.272
  396    HB2  TYR  50           HB2      TYR  50 -27.106   9.164  -3.532
  397    HB3  TYR  50           HB3      TYR  50 -25.924  10.170  -4.365
  398    HD1  TYR  50           HD2      TYR  50 -24.757   9.450  -6.270
  399    HD2  TYR  50           HD1      TYR  50 -27.613   6.867  -4.394
  400    HE1  TYR  50           HE2      TYR  50 -24.529   7.889  -8.168
  401    HE2  TYR  50           HE1      TYR  50 -27.533   5.349  -6.360
  402    HH   TYR  50           HH       TYR  50 -26.566   4.916  -8.393
  403    H    THR  51           H        THR  51 -23.971   6.373  -2.799
  404    HA   THR  51           HA       THR  51 -26.117   5.461  -0.910
  405    HB   THR  51           HB       THR  51 -26.134   3.357  -1.801
  406   HG21  THR  51          HG21      THR  51 -25.327   4.976  -4.248
  407   HG22  THR  51          HG22      THR  51 -26.262   3.465  -4.228
  408   HG23  THR  51          HG23      THR  51 -26.962   4.955  -3.538
  409    H    LYS  52           H        LYS  52 -22.760   5.955  -1.413
  410    HA   LYS  52           HA       LYS  52 -20.902   5.423  -0.334
  411    HB2  LYS  52           HB2      LYS  52 -20.784   6.100   1.974
  412    HB3  LYS  52           HB3      LYS  52 -21.734   7.254   1.031
  413    HG2  LYS  52           HG2      LYS  52 -23.186   5.073   2.520
  414    HG3  LYS  52           HG3      LYS  52 -22.488   6.412   3.440
  415    HD2  LYS  52           HD2      LYS  52 -23.701   8.065   2.134
  416    HD3  LYS  52           HD3      LYS  52 -24.402   6.808   1.102
  417    HE2  LYS  52           HE2      LYS  52 -24.792   7.029   4.116
  418    HE3  LYS  52           HE3      LYS  52 -25.952   7.574   2.881
  419    HZ1  LYS  52           HZ1      LYS  52 -26.093   5.311   2.114
  420    HZ2  LYS  52           HZ2      LYS  52 -25.030   4.805   3.260
  421    HZ3  LYS  52           HZ3      LYS  52 -26.495   5.401   3.710
  422    H    GLU  53           H        GLU  53 -22.471   3.075  -0.931
  423    HA   GLU  53           HA       GLU  53 -21.982   1.141   1.151
  424    HB2  GLU  53           HB2      GLU  53 -22.509   0.988  -1.847
  425    HB3  GLU  53           HB3      GLU  53 -22.331  -0.447  -0.813
  426    HG2  GLU  53           HG2      GLU  53 -24.205   0.365   0.601
  427    HG3  GLU  53           HG3      GLU  53 -24.416   1.750  -0.488
  428    H    SER  54           H        SER  54 -20.626  -0.822  -0.489
  429    HA   SER  54           HA       SER  54 -17.880   0.317  -0.693
  430    HB2  SER  54           HB2      SER  54 -18.220  -0.511   1.615
  431    HB3  SER  54           HB3      SER  54 -18.634  -2.107   0.965
  432    HG   SER  54           HG       SER  54 -16.419  -1.897   1.574
  433    H    ARG  55           H        ARG  55 -16.329  -1.497  -1.424
  434    HA   ARG  55           HA       ARG  55 -17.596  -3.250  -3.472
  435    HB2  ARG  55           HB2      ARG  55 -15.367  -1.247  -4.000
  436    HB3  ARG  55           HB3      ARG  55 -15.998  -2.442  -5.158
  437    HG2  ARG  55           HG2      ARG  55 -18.231  -1.369  -5.051
  438    HG3  ARG  55           HG3      ARG  55 -17.581  -0.149  -3.929
  439    HD2  ARG  55           HD2      ARG  55 -15.887   0.476  -5.646
  440    HD3  ARG  55           HD3      ARG  55 -16.637  -0.664  -6.779
  441    HE   ARG  55           HE       ARG  55 -18.719   0.979  -5.942
  442   HH11  ARG  55          HH11      ARG  55 -15.598   1.415  -7.541
  443   HH12  ARG  55          HH12      ARG  55 -16.075   2.902  -8.331
  444   HH21  ARG  55          HH21      ARG  55 -19.327   2.904  -7.013
  445   HH22  ARG  55          HH22      ARG  55 -18.194   3.709  -8.079
  446    H    GLY  56           H        GLY  56 -15.607  -3.123  -0.839
  447    HA2  GLY  56           HA2      GLY  56 -14.536  -5.034  -0.019
  448    HA3  GLY  56           HA3      GLY  56 -14.401  -5.690  -1.656
  449    H    PHE  57           H        PHE  57 -13.370  -2.350  -1.343
  450    HA   PHE  57           HA       PHE  57 -10.607  -3.063  -0.659
  451    HB2  PHE  57           HB2      PHE  57  -9.676  -2.325  -2.764
  452    HB3  PHE  57           HB3      PHE  57 -10.756  -3.700  -3.016
  453    HD1  PHE  57           HD2      PHE  57 -10.246  -0.100  -3.588
  454    HD2  PHE  57           HD1      PHE  57 -12.897  -3.436  -4.228
  455    HE1  PHE  57           HE2      PHE  57 -11.427   1.174  -5.353
  456    HE2  PHE  57           HE1      PHE  57 -14.017  -2.190  -6.040
  457    HZ   PHE  57           HZ       PHE  57 -13.325   0.129  -6.572
  458    H    ALA  58           H        ALA  58  -9.175  -1.142  -0.812
  459    HA   ALA  58           HA       ALA  58 -10.531   1.458  -0.723
  460    HB1  ALA  58           HB1      ALA  58  -8.754   0.447   1.564
  461    HB2  ALA  58           HB2      ALA  58  -9.450   2.066   1.425
  462    HB3  ALA  58           HB3      ALA  58 -10.515   0.664   1.656
  463    H    PHE  59           H        PHE  59  -9.526   2.312  -2.380
  464    HA   PHE  59           HA       PHE  59  -6.881   1.605  -3.268
  465    HB2  PHE  59           HB2      PHE  59  -8.626   2.140  -4.842
  466    HB3  PHE  59           HB3      PHE  59  -8.948   3.679  -4.044
  467    HD1  PHE  59           HD2      PHE  59  -6.636   1.895  -6.378
  468    HD2  PHE  59           HD1      PHE  59  -7.612   5.612  -4.417
  469    HE1  PHE  59           HE2      PHE  59  -5.055   3.098  -7.834
  470    HE2  PHE  59           HE1      PHE  59  -6.093   6.804  -5.907
  471    HZ   PHE  59           HZ       PHE  59  -4.717   5.536  -7.581
  472    H    VAL  60           H        VAL  60  -5.544   2.003  -1.498
  473    HA   VAL  60           HA       VAL  60  -5.190   4.757  -0.541
  474    HB   VAL  60           HB       VAL  60  -3.372   2.315  -0.353
  475   HG11  VAL  60          HG11      VAL  60  -3.317   4.966   1.146
  476   HG12  VAL  60          HG12      VAL  60  -2.330   3.543   1.546
  477   HG13  VAL  60          HG13      VAL  60  -2.083   4.381   0.003
  478   HG21  VAL  60          HG21      VAL  60  -5.281   3.587   1.638
  479   HG22  VAL  60          HG22      VAL  60  -5.579   2.054   0.779
  480   HG23  VAL  60          HG23      VAL  60  -4.238   2.186   1.956
  481    H    ARG  61           H        ARG  61  -3.267   6.055  -1.065
  482    HA   ARG  61           HA       ARG  61  -1.869   5.222  -3.532
  483    HB2  ARG  61           HB2      ARG  61  -2.453   6.983  -4.814
  484    HB3  ARG  61           HB3      ARG  61  -3.953   6.798  -3.919
  485    HG2  ARG  61           HG2      ARG  61  -3.177   8.597  -2.336
  486    HG3  ARG  61           HG3      ARG  61  -1.735   8.818  -3.357
  487    HD2  ARG  61           HD2      ARG  61  -4.632   9.195  -4.182
  488    HD3  ARG  61           HD3      ARG  61  -3.409  10.461  -4.003
  489    HE   ARG  61           HE       ARG  61  -2.158   9.206  -5.867
  490   HH11  ARG  61          HH11      ARG  61  -5.688   9.381  -5.629
  491   HH12  ARG  61          HH12      ARG  61  -5.927   8.993  -7.315
  492   HH21  ARG  61          HH21      ARG  61  -2.525   8.702  -8.078
  493   HH22  ARG  61          HH22      ARG  61  -4.169   8.614  -8.677
  494    H    PHE  62           H        PHE  62   0.282   5.501  -3.380
  495    HA   PHE  62           HA       PHE  62   1.417   7.025  -1.086
  496    HB2  PHE  62           HB2      PHE  62   2.196   4.646  -2.758
  497    HB3  PHE  62           HB3      PHE  62   3.443   5.567  -1.917
  498    HD1  PHE  62           HD2      PHE  62   0.096   4.036  -1.088
  499    HD2  PHE  62           HD1      PHE  62   4.174   4.769   0.044
  500    HE1  PHE  62           HE2      PHE  62  -0.254   2.743   1.007
  501    HE2  PHE  62           HE1      PHE  62   3.872   3.389   2.074
  502    HZ   PHE  62           HZ       PHE  62   1.701   2.332   2.537
  503    H    HIS  63           H        HIS  63   3.738   7.771  -1.664
  504    HA   HIS  63           HA       HIS  63   3.812   8.963  -4.382
  505    HB2  HIS  63           HB2      HIS  63   4.826  10.985  -2.815
  506    HB3  HIS  63           HB3      HIS  63   3.244  10.937  -3.555
  507    HD2  HIS  63           HD2      HIS  63   4.055   9.005  -0.177
  508    HE1  HIS  63           HE1      HIS  63   1.262  12.108   0.592
  509    HE2  HIS  63           HE2      HIS  63   2.512  10.115   1.576
  510    H    ASP  64           H        ASP  64   5.716   8.165  -1.428
  511    HA   ASP  64           HA       ASP  64   8.183   8.795  -2.911
  512    HB2  ASP  64           HB2      ASP  64   7.387   8.020  -0.144
  513    HB3  ASP  64           HB3      ASP  64   9.035   7.594  -0.675
  514    H    LYS  65           H        LYS  65   9.238   7.377  -4.181
  515    HA   LYS  65           HA       LYS  65   8.167   4.884  -4.867
  516    HB2  LYS  65           HB2      LYS  65   9.694   5.999  -6.343
  517    HB3  LYS  65           HB3      LYS  65  10.973   6.027  -5.120
  518    HG2  LYS  65           HG2      LYS  65  11.421   4.322  -6.817
  519    HG3  LYS  65           HG3      LYS  65  11.210   3.602  -5.224
  520    HD2  LYS  65           HD2      LYS  65  10.092   2.238  -6.900
  521    HD3  LYS  65           HD3      LYS  65   8.892   2.936  -5.813
  522    HE2  LYS  65           HE2      LYS  65   8.081   3.076  -8.076
  523    HE3  LYS  65           HE3      LYS  65   8.410   4.709  -7.483
  524    HZ1  LYS  65           HZ1      LYS  65  10.191   3.130  -9.226
  525    HZ2  LYS  65           HZ2      LYS  65   9.244   4.386  -9.703
  526    HZ3  LYS  65           HZ3      LYS  65  10.498   4.649  -8.679
  527    H    ARG  66           H        ARG  66  10.837   5.588  -2.526
  528    HA   ARG  66           HA       ARG  66  11.540   2.885  -2.177
  529    HB2  ARG  66           HB2      ARG  66  12.636   3.720  -0.044
  530    HB3  ARG  66           HB3      ARG  66  13.113   4.466  -1.569
  531    HG2  ARG  66           HG2      ARG  66  12.973   6.240  -0.046
  532    HG3  ARG  66           HG3      ARG  66  11.545   6.383  -1.063
  533    HD2  ARG  66           HD2      ARG  66  10.968   6.835   1.236
  534    HD3  ARG  66           HD3      ARG  66  10.187   5.321   0.751
  535    HE   ARG  66           HE       ARG  66  12.673   4.639   1.903
  536   HH11  ARG  66          HH11      ARG  66   9.630   6.171   2.871
  537   HH12  ARG  66          HH12      ARG  66   9.806   5.728   4.552
  538   HH21  ARG  66          HH21      ARG  66  12.853   4.048   4.111
  539   HH22  ARG  66          HH22      ARG  66  11.607   4.515   5.247
  540    H    ASP  67           H        ASP  67   8.809   4.574  -0.763
  541    HA   ASP  67           HA       ASP  67   8.434   2.204   1.008
  542    HB2  ASP  67           HB2      ASP  67   6.902   3.648   2.321
  543    HB3  ASP  67           HB3      ASP  67   8.616   4.092   2.357
  544    H    ALA  68           H        ALA  68   7.384   3.608  -1.860
  545    HA   ALA  68           HA       ALA  68   4.706   2.448  -1.857
  546    HB1  ALA  68           HB1      ALA  68   6.650   3.544  -3.925
  547    HB2  ALA  68           HB2      ALA  68   5.116   2.818  -4.411
  548    HB3  ALA  68           HB3      ALA  68   5.099   4.263  -3.390
  549    H    GLU  69           H        GLU  69   8.012   1.625  -3.068
  550    HA   GLU  69           HA       GLU  69   7.102  -0.985  -3.965
  551    HB2  GLU  69           HB2      GLU  69   9.386  -1.396  -4.584
  552    HB3  GLU  69           HB3      GLU  69   8.907   0.218  -5.142
  553    HG2  GLU  69           HG2      GLU  69  10.217   1.291  -3.454
  554    HG3  GLU  69           HG3      GLU  69  10.397  -0.198  -2.531
  555    H    ASP  70           H        ASP  70   8.667   0.273  -0.957
  556    HA   ASP  70           HA       ASP  70   9.364  -2.378  -0.075
  557    HB2  ASP  70           HB2      ASP  70  10.425  -0.317   0.794
  558    HB3  ASP  70           HB3      ASP  70   8.888   0.152   1.546
  559    H    ALA  71           H        ALA  71   6.487  -0.245   0.515
  560    HA   ALA  71           HA       ALA  71   5.257  -2.012   2.381
  561    HB1  ALA  71           HB1      ALA  71   4.014  -0.039   0.421
  562    HB2  ALA  71           HB2      ALA  71   3.202  -0.746   1.835
  563    HB3  ALA  71           HB3      ALA  71   4.589   0.347   2.061
  564    H    MET  72           H        MET  72   5.299  -1.893  -1.169
  565    HA   MET  72           HA       MET  72   3.312  -3.946  -1.564
  566    HB2  MET  72           HB2      MET  72   3.754  -2.427  -3.328
  567    HB3  MET  72           HB3      MET  72   5.512  -2.604  -3.128
  568    HG2  MET  72           HG2      MET  72   5.558  -4.693  -4.175
  569    HG3  MET  72           HG3      MET  72   3.795  -4.888  -4.104
  570    HE1  MET  72           HE1      MET  72   6.555  -2.352  -5.448
  571    HE2  MET  72           HE2      MET  72   5.623  -1.500  -6.699
  572    HE3  MET  72           HE3      MET  72   5.177  -1.328  -4.994
  573    H    ASP  73           H        ASP  73   6.905  -3.887  -1.333
  574    HA   ASP  73           HA       ASP  73   7.051  -6.722  -1.914
  575    HB2  ASP  73           HB2      ASP  73   8.762  -5.050  -2.618
  576    HB3  ASP  73           HB3      ASP  73   9.191  -4.791  -0.924
  577    H    ALA  74           H        ALA  74   5.919  -5.205   0.780
  578    HA   ALA  74           HA       ALA  74   7.128  -7.223   2.616
  579    HB1  ALA  74           HB1      ALA  74   6.474  -4.318   3.134
  580    HB2  ALA  74           HB2      ALA  74   7.107  -5.463   4.346
  581    HB3  ALA  74           HB3      ALA  74   8.110  -4.995   2.951
  582    H    MET  75           H        MET  75   4.221  -6.008   1.251
  583    HA   MET  75           HA       MET  75   2.775  -7.429   3.437
  584    HB2  MET  75           HB2      MET  75   2.724  -4.739   3.405
  585    HB3  MET  75           HB3      MET  75   1.429  -5.066   2.224
  586    HG2  MET  75           HG2      MET  75   0.535  -6.757   3.952
  587    HG3  MET  75           HG3      MET  75   1.682  -6.048   5.084
  588    HE1  MET  75           HE1      MET  75   1.549  -3.415   5.837
  589    HE2  MET  75           HE2      MET  75   1.586  -3.004   4.100
  590    HE3  MET  75           HE3      MET  75   0.356  -2.288   5.158
  591    H    ASP  76           H        ASP  76   2.799  -6.540  -0.084
  592    HA   ASP  76           HA       ASP  76   0.194  -7.635  -0.495
  593    HB2  ASP  76           HB2      ASP  76   0.958  -6.424  -2.327
  594    HB3  ASP  76           HB3      ASP  76   2.582  -7.088  -2.268
  595    H    GLY  77           H        GLY  77  -0.557  -9.614  -0.820
  596    HA2  GLY  77           HA2      GLY  77  -0.633 -11.914  -1.041
  597    HA3  GLY  77           HA3      GLY  77   1.108 -11.901  -1.404
  598    H    ALA  78           H        ALA  78   0.404 -10.313   1.565
  599    HA   ALA  78           HA       ALA  78   1.626 -12.519   3.058
  600    HB1  ALA  78           HB1      ALA  78   0.639  -9.772   3.958
  601    HB2  ALA  78           HB2      ALA  78   1.651 -10.877   4.913
  602    HB3  ALA  78           HB3      ALA  78   2.297 -10.146   3.425
  603    H    VAL  79           H        VAL  79  -0.850 -13.125   1.925
  604    HA   VAL  79           HA       VAL  79  -3.038 -12.591   3.705
  605    HB   VAL  79           HB       VAL  79  -3.114 -12.826   1.235
  606   HG11  VAL  79          HG11      VAL  79  -2.990 -15.827   1.793
  607   HG12  VAL  79          HG12      VAL  79  -3.279 -15.052   0.218
  608   HG13  VAL  79          HG13      VAL  79  -1.702 -14.885   1.013
  609   HG21  VAL  79          HG21      VAL  79  -5.106 -12.833   2.591
  610   HG22  VAL  79          HG22      VAL  79  -5.162 -13.592   1.007
  611   HG23  VAL  79          HG23      VAL  79  -5.124 -14.632   2.472
  612    H    LEU  80           H        LEU  80  -4.554 -14.403   4.184
  613    HA   LEU  80           HA       LEU  80  -3.304 -16.908   5.056
  614    HB2  LEU  80           HB2      LEU  80  -3.532 -16.726   7.354
  615    HB3  LEU  80           HB3      LEU  80  -2.914 -15.145   6.900
  616    HG   LEU  80           HG       LEU  80  -5.815 -15.857   7.556
  617   HD11  LEU  80          HD11      LEU  80  -4.291 -15.819   9.487
  618   HD12  LEU  80          HD12      LEU  80  -3.743 -14.188   9.030
  619   HD13  LEU  80          HD13      LEU  80  -5.424 -14.452   9.536
  620   HD21  LEU  80          HD21      LEU  80  -5.760 -14.033   5.893
  621   HD22  LEU  80          HD22      LEU  80  -6.233 -13.424   7.484
  622   HD23  LEU  80          HD23      LEU  80  -4.572 -13.155   6.903
  623    H    ASP  81           H        ASP  81  -5.814 -15.470   3.613
  624    HA   ASP  81           HA       ASP  81  -7.691 -17.634   4.365
  625    HB2  ASP  81           HB2      ASP  81  -8.230 -15.647   5.749
  626    HB3  ASP  81           HB3      ASP  81  -8.318 -14.650   4.293
  627    H    GLY  82           H        GLY  82  -6.059 -15.957   1.940
  628    HA2  GLY  82           HA2      GLY  82  -6.372 -16.752  -0.341
  629    HA3  GLY  82           HA3      GLY  82  -8.129 -16.756  -0.065
  630    H    ARG  83           H        ARG  83  -7.413 -14.149   1.605
  631    HA   ARG  83           HA       ARG  83  -6.532 -12.236  -0.360
  632    HB2  ARG  83           HB2      ARG  83  -8.647 -12.133  -1.263
  633    HB3  ARG  83           HB3      ARG  83  -9.463 -12.581   0.245
  634    HG2  ARG  83           HG2      ARG  83  -7.918 -10.030   0.231
  635    HG3  ARG  83           HG3      ARG  83  -9.385 -10.060  -0.780
  636    HD2  ARG  83           HD2      ARG  83  -9.206 -10.505   2.222
  637    HD3  ARG  83           HD3      ARG  83  -9.956  -9.162   1.363
  638    HE   ARG  83           HE       ARG  83 -11.766 -10.562   0.702
  639   HH11  ARG  83          HH11      ARG  83  -9.445 -12.244   2.787
  640   HH12  ARG  83          HH12      ARG  83 -10.560 -13.526   3.185
  641   HH21  ARG  83          HH21      ARG  83 -13.204 -12.245   1.272
  642   HH22  ARG  83          HH22      ARG  83 -12.673 -13.523   2.338
  643    H    GLU  84           H        GLU  84  -5.373 -10.832   0.781
  644    HA   GLU  84           HA       GLU  84  -6.499  -9.815   3.304
  645    HB2  GLU  84           HB2      GLU  84  -3.793 -11.033   2.985
  646    HB3  GLU  84           HB3      GLU  84  -3.997  -9.680   4.091
  647    HG2  GLU  84           HG2      GLU  84  -5.712 -12.175   4.307
  648    HG3  GLU  84           HG3      GLU  84  -4.215 -11.896   5.204
  649    H    LEU  85           H        LEU  85  -3.781  -9.635   0.898
  650    HA   LEU  85           HA       LEU  85  -4.279  -6.718   0.573
  651    HB2  LEU  85           HB2      LEU  85  -1.588  -8.141   0.917
  652    HB3  LEU  85           HB3      LEU  85  -1.759  -6.533   0.239
  653    HG   LEU  85           HG       LEU  85  -1.001  -6.224   2.379
  654   HD11  LEU  85          HD11      LEU  85  -4.011  -5.766   2.510
  655   HD12  LEU  85          HD12      LEU  85  -2.767  -4.929   3.464
  656   HD13  LEU  85          HD13      LEU  85  -2.834  -4.708   1.699
  657   HD21  LEU  85          HD21      LEU  85  -1.827  -7.208   4.371
  658   HD22  LEU  85          HD22      LEU  85  -3.250  -7.875   3.550
  659   HD23  LEU  85          HD23      LEU  85  -1.622  -8.521   3.187
  660    H    ARG  86           H        ARG  86  -3.757  -5.860  -1.365
  661    HA   ARG  86           HA       ARG  86  -2.152  -7.285  -3.336
  662    HB2  ARG  86           HB2      ARG  86  -5.058  -6.502  -3.882
  663    HB3  ARG  86           HB3      ARG  86  -3.845  -6.637  -5.156
  664    HG2  ARG  86           HG2      ARG  86  -4.752  -8.876  -3.320
  665    HG3  ARG  86           HG3      ARG  86  -5.088  -8.697  -5.055
  666    HD2  ARG  86           HD2      ARG  86  -2.635  -8.803  -5.518
  667    HD3  ARG  86           HD3      ARG  86  -2.349  -9.083  -3.788
  668    HE   ARG  86           HE       ARG  86  -4.189 -10.961  -5.050
  669   HH11  ARG  86          HH11      ARG  86  -0.870 -10.234  -4.083
  670   HH12  ARG  86          HH12      ARG  86  -0.349 -11.900  -4.148
  671   HH21  ARG  86          HH21      ARG  86  -3.503 -13.146  -5.077
  672   HH22  ARG  86          HH22      ARG  86  -1.849 -13.552  -4.675
  673    H    VAL  87           H        VAL  87  -0.624  -5.803  -3.633
  674    HA   VAL  87           HA       VAL  87  -1.477  -3.018  -4.181
  675    HB   VAL  87           HB       VAL  87  -0.965  -2.773  -1.923
  676   HG11  VAL  87          HG11      VAL  87   1.492  -4.485  -2.288
  677   HG12  VAL  87          HG12      VAL  87   1.045  -3.601  -0.809
  678   HG13  VAL  87          HG13      VAL  87  -0.003  -4.901  -1.378
  679   HG21  VAL  87          HG21      VAL  87   0.258  -1.157  -3.387
  680   HG22  VAL  87          HG22      VAL  87   1.097  -1.475  -1.854
  681   HG23  VAL  87          HG23      VAL  87   1.672  -2.232  -3.351
  682    H    GLN  88           H        GLN  88  -0.644  -2.254  -5.898
  683    HA   GLN  88           HA       GLN  88   2.073  -2.826  -6.841
  684    HB2  GLN  88           HB2      GLN  88  -0.418  -3.570  -8.441
  685    HB3  GLN  88           HB3      GLN  88   1.230  -3.466  -9.099
  686    HG2  GLN  88           HG2      GLN  88   1.944  -5.221  -7.469
  687    HG3  GLN  88           HG3      GLN  88   0.252  -5.418  -6.978
  688   HE21  GLN  88          HE22      GLN  88   1.822  -7.530  -8.069
  689   HE22  GLN  88          HE21      GLN  88   1.117  -7.977  -9.609
  690    H    MET  89           H        MET  89   2.540  -1.485  -8.739
  691    HA   MET  89           HA       MET  89   1.898   1.214  -8.217
  692    HB2  MET  89           HB2      MET  89   3.098  -0.202 -10.619
  693    HB3  MET  89           HB3      MET  89   3.147   1.560 -10.379
  694    HG2  MET  89           HG2      MET  89   4.076  -0.304  -8.179
  695    HG3  MET  89           HG3      MET  89   5.147   0.031  -9.514
  696    HE1  MET  89           HE1      MET  89   5.410   0.646  -6.222
  697    HE2  MET  89           HE2      MET  89   6.716   0.699  -7.432
  698    HE3  MET  89           HE3      MET  89   6.428   2.097  -6.366
  699    H    ALA  90           H        ALA  90   0.498   2.661  -9.159
  700    HA   ALA  90           HA       ALA  90  -1.920   1.635 -10.324
  701    HB1  ALA  90           HB1      ALA  90  -1.808   3.633  -8.867
  702    HB2  ALA  90           HB2      ALA  90  -0.897   4.491 -10.143
  703    HB3  ALA  90           HB3      ALA  90  -2.577   3.974 -10.425
  704    H    ARG  91           H        ARG  91  -2.802   2.133 -12.383
  705    HA   ARG  91           HA       ARG  91  -1.054   3.243 -14.469
  706    HB2  ARG  91           HB2      ARG  91  -0.824   0.675 -14.364
  707    HB3  ARG  91           HB3      ARG  91  -2.507   0.615 -14.933
  708    HG2  ARG  91           HG2      ARG  91  -1.853   1.892 -16.961
  709    HG3  ARG  91           HG3      ARG  91  -0.191   2.020 -16.351
  710    HD2  ARG  91           HD2      ARG  91  -0.008  -0.444 -16.377
  711    HD3  ARG  91           HD3      ARG  91  -1.679  -0.559 -16.992
  712    HE   ARG  91           HE       ARG  91  -0.198   1.135 -18.719
  713   HH11  ARG  91          HH11      ARG  91  -0.341  -2.269 -17.772
  714   HH12  ARG  91          HH12      ARG  91   0.262  -2.845 -19.308
  715   HH21  ARG  91          HH21      ARG  91   0.599   0.359 -20.706
  716   HH22  ARG  91          HH22      ARG  91   0.801  -1.358 -20.966
  717    H    TYR  92           H        TYR  92  -3.487   3.805 -12.803
  718    HA   TYR  92           HA       TYR  92  -5.343   4.726 -14.896
  719    HB2  TYR  92           HB2      TYR  92  -6.133   2.488 -14.403
  720    HB3  TYR  92           HB3      TYR  92  -5.955   2.757 -12.671
  721    HD1  TYR  92           HD2      TYR  92  -7.557   5.315 -14.884
  722    HD2  TYR  92           HD1      TYR  92  -8.133   2.005 -12.197
  723    HE1  TYR  92           HE2      TYR  92  -9.943   5.930 -14.629
  724    HE2  TYR  92           HE1      TYR  92 -10.494   2.627 -11.897
  725    HH   TYR  92           HH       TYR  92 -12.173   4.101 -12.502
  726    H    GLY  93           H        GLY  93  -6.264   6.697 -14.219
  727    HA2  GLY  93           HA2      GLY  93  -4.968   7.775 -11.763
  728    HA3  GLY  93           HA3      GLY  93  -5.398   8.695 -13.204
  729    H    ARG  94           H        ARG  94  -6.101   9.877 -11.029
  730    HA   ARG  94           HA       ARG  94  -8.466   9.085  -9.697
  731    HB2  ARG  94           HB2      ARG  94  -6.771  10.734  -8.883
  732    HB3  ARG  94           HB3      ARG  94  -7.341  11.885 -10.107
  733    HG2  ARG  94           HG2      ARG  94  -9.605  11.842  -9.064
  734    HG3  ARG  94           HG3      ARG  94  -9.016  10.686  -7.849
  735    HD2  ARG  94           HD2      ARG  94  -7.349  12.330  -7.079
  736    HD3  ARG  94           HD3      ARG  94  -7.936  13.494  -8.288
  737    HE   ARG  94           HE       ARG  94 -10.167  12.696  -6.770
  738   HH11  ARG  94          HH11      ARG  94  -7.108  14.384  -6.216
  739   HH12  ARG  94          HH12      ARG  94  -7.762  15.374  -4.924
  740   HH21  ARG  94          HH21      ARG  94 -10.970  13.985  -5.081
  741   HH22  ARG  94          HH22      ARG  94  -9.924  15.119  -4.256
  742    HA   PRO  95           HA       PRO  95 -11.473  10.003 -12.805
  743    HB2  PRO  95           HB2      PRO  95 -13.725  10.196 -11.211
  744    HB3  PRO  95           HB3      PRO  95 -12.957   8.659 -11.720
  745    HG2  PRO  95           HG2      PRO  95 -12.705  10.108  -9.089
  746    HG3  PRO  95           HG3      PRO  95 -12.818   8.352  -9.388
  747    HD2  PRO  95           HD2      PRO  95 -10.444   9.575  -8.896
  748    HD3  PRO  95           HD3      PRO  95 -10.588   8.155  -9.971
  749    HA   PRO  96           HA       PRO  96 -11.481  14.476 -12.446
  750    HB2  PRO  96           HB2      PRO  96 -12.688  15.099 -14.801
  751    HB3  PRO  96           HB3      PRO  96 -11.032  14.396 -14.740
  752    HG2  PRO  96           HG2      PRO  96 -13.662  12.959 -15.211
  753    HG3  PRO  96           HG3      PRO  96 -12.151  12.824 -16.170
  754    HD2  PRO  96           HD2      PRO  96 -12.809  11.034 -14.220
  755    HD3  PRO  96           HD3      PRO  96 -11.110  11.528 -14.500
  756    H    ASP  97           H        ASP  97 -14.296  12.471 -12.897
  757    HA   ASP  97           HA       ASP  97 -15.928  14.273 -11.235
  758    HB2  ASP  97           HB2      ASP  97 -16.442  14.955 -13.584
  759    HB3  ASP  97           HB3      ASP  97 -16.812  13.266 -13.967
  760    H    SER  98           H        SER  98 -17.838  13.036 -10.361
  761    HA   SER  98           HA       SER  98 -16.940  10.463  -9.593
  762    HB2  SER  98           HB2      SER  98 -19.341  10.353  -8.596
  763    HB3  SER  98           HB3      SER  98 -18.228  11.607  -8.004
  764    HG   SER  98           HG       SER  98 -20.107  12.641  -8.503
  765    H    HIS  99           H        HIS  99 -18.692  11.345 -12.475
  766    HA   HIS  99           HA       HIS  99 -18.805   8.532 -13.142
  767    HB2  HIS  99           HB2      HIS  99 -20.798   8.812 -11.674
  768    HB3  HIS  99           HB3      HIS  99 -21.443  10.006 -12.814
  769    HD2  HIS  99           HD2      HIS  99 -23.393   8.848 -14.036
  770    HE1  HIS  99           HE1      HIS  99 -21.628   5.067 -14.859
  771    HE2  HIS  99           HE2      HIS  99 -23.693   6.515 -15.198
  772    H    HIS 100           H        HIS 100 -17.729  11.142 -14.163
  773    HA   HIS 100           HA       HIS 100 -18.611  10.763 -16.958
  774    HB2  HIS 100           HB2      HIS 100 -20.022  12.578 -15.940
  775    HB3  HIS 100           HB3      HIS 100 -18.544  13.489 -15.606
  776    HD2  HIS 100           HD2      HIS 100 -18.430  15.415 -17.307
  777    HE1  HIS 100           HE1      HIS 100 -19.572  13.348 -20.848
  778    HE2  HIS 100           HE2      HIS 100 -18.817  15.589 -19.890
  779    H    SER 101           H        SER 101 -17.126  12.047 -18.454
  780    HA   SER 101           HA       SER 101 -14.479  12.704 -17.390
  781    HB2  SER 101           HB2      SER 101 -13.330  11.065 -18.823
  782    HB3  SER 101           HB3      SER 101 -14.343  10.271 -17.595
  783    HG   SER 101           HG       SER 101 -14.614   9.363 -19.691
  784    H5'    U 102           H5'        U 102 -11.478  -5.949 -12.212
  785   H5''    U 102          H5''        U 102 -13.017  -5.108 -11.938
  786    H4'    U 102           H4'        U 102 -10.355  -4.228 -10.725
  787    H3'    U 102           H3'        U 102 -11.591  -6.545  -9.989
  788    H2'    U 102           H2'        U 102 -13.785  -5.582  -9.816
  789   HO2'    U 102          HO2'        U 102 -12.517  -5.491  -7.279
  790    H1'    U 102           H1'        U 102 -12.619  -3.252  -8.299
  791    H3     U 102           H3         U 102 -16.491  -1.710 -11.468
  792    H5     U 102           H5         U 102 -17.205  -2.953  -7.525
  793    H6     U 102           H6         U 102 -14.898  -3.769  -7.438
  794   HO5'    U 102          HO5'        U 102 -12.037  -3.235 -12.835
  795    H5'    G 103           H5'        G 103  -8.238  -3.385  -6.890
  796   H5''    G 103          H5''        G 103  -9.949  -3.137  -7.260
  797    H4'    G 103           H4'        G 103  -8.806  -0.995  -7.084
  798    H3'    G 103           H3'        G 103  -9.957  -1.796  -9.717
  799    H2'    G 103           H2'        G 103  -8.508  -0.535 -10.866
  800   HO2'    G 103          HO2'        G 103  -9.974   1.216 -10.288
  801    H1'    G 103           H1'        G 103  -7.364   0.658  -8.370
  802    H8     G 103           H8         G 103  -5.817   2.103  -9.914
  803    H1     G 103           H1         G 103  -3.435  -3.151 -12.737
  804    H21    G 103           H21        G 103  -4.650  -4.923 -12.155
  805    H22    G 103           H22        G 103  -6.027  -4.785 -11.082
  806    H5'    G 104           H5'        G 104 -10.662   3.013  -9.024
  807   H5''    G 104          H5''        G 104 -10.136   1.999  -7.655
  808    H4'    G 104           H4'        G 104 -12.049   3.242  -6.345
  809    H3'    G 104           H3'        G 104 -11.645   5.025  -8.757
  810    H2'    G 104           H2'        G 104 -11.781   6.896  -7.302
  811   HO2'    G 104          HO2'        G 104 -13.681   5.901  -6.231
  812    H1'    G 104           H1'        G 104 -10.513   5.833  -5.151
  813    H8     G 104           H8         G 104  -9.481   8.207  -5.690
  814    H1     G 104           H1         G 104  -5.918   5.501 -10.283
  815    H21    G 104           H21        G 104  -6.791   3.567 -10.870
  816    H22    G 104           H22        G 104  -8.205   2.910 -10.063
  817    H5'    A 105           H5'        A 105 -14.741   8.057  -8.948
  818   H5''    A 105          H5''        A 105 -13.644   7.930  -7.560
  819    H4'    A 105           H4'        A 105 -15.017   9.744  -7.058
  820    H3'    A 105           H3'        A 105 -15.157   7.726  -5.346
  821    H2'    A 105           H2'        A 105 -17.008   6.556  -6.271
  822   HO2'    A 105          HO2'        A 105 -18.187   8.520  -4.592
  823    H1'    A 105           H1'        A 105 -18.612   8.993  -6.946
  824    H8     A 105           H8         A 105 -16.571   6.870  -9.207
  825    H61    A 105           H61        A 105 -21.863   4.127 -11.028
  826    H62    A 105           H62        A 105 -20.127   4.149 -11.277
  827    H2     A 105           H2         A 105 -22.750   7.064  -7.813
  828    H5'    G 106           H5'        G 106 -16.452  12.151  -1.716
  829   H5''    G 106          H5''        G 106 -16.995  12.258  -3.400
  830    H4'    G 106           H4'        G 106 -15.744  14.250  -2.886
  831    H3'    G 106           H3'        G 106 -15.378  12.691  -5.061
  832    H2'    G 106           H2'        G 106 -13.555  11.447  -4.265
  833   HO2'    G 106          HO2'        G 106 -12.791  12.643  -6.126
  834    H1'    G 106           H1'        G 106 -12.235  13.822  -2.989
  835    H8     G 106           H8         G 106 -13.656  10.299  -2.166
  836    H1     G 106           H1         G 106  -7.638  11.440  -0.263
  837    H21    G 106           H21        G 106  -6.903  13.268  -1.211
  838    H22    G 106           H22        G 106  -7.940  14.323  -2.151
  839    H5'    U 107           H5'        U 107 -16.806  13.694  -6.606
  840   H5''    U 107          H5''        U 107 -17.603  14.899  -7.637
  841    H4'    U 107           H4'        U 107 -18.820  15.455  -5.870
  842    H3'    U 107           H3'        U 107 -16.295  16.904  -5.320
  843   HO3'    U 107          HO3'        U 107 -18.260  17.749  -6.256
  844    H2'    U 107           H2'        U 107 -16.256  16.096  -3.176
  845   HO2'    U 107          HO2'        U 107 -18.461  17.890  -3.160
  846    H1'    U 107           H1'        U 107 -19.206  15.659  -3.556
  847    H3     U 107           H3         U 107 -19.672  12.011  -0.578
  848    H5     U 107           H5         U 107 -16.647  14.523   0.892
  849    H6     U 107           H6         U 107 -16.682  15.711  -1.222
  Start of MODEL   20
    1    H    MET   1           H1       MET   1 -18.112  11.846   7.923
    2    HA   MET   1           HA       MET   1 -16.058  12.827   7.248
    3    HB2  MET   1           HB2      MET   1 -16.148  10.669   8.522
    4    HB3  MET   1           HB3      MET   1 -15.953   9.795   6.996
    5    HG2  MET   1           HG2      MET   1 -14.024  11.896   8.064
    6    HG3  MET   1           HG3      MET   1 -13.844  10.163   8.329
    7    HE1  MET   1           HE1      MET   1 -10.910  11.039   5.898
    8    HE2  MET   1           HE2      MET   1 -11.598  12.072   7.164
    9    HE3  MET   1           HE3      MET   1 -11.364  10.329   7.469
   10    H    SER   2           H        SER   2 -15.061  13.690   5.535
   11    HA   SER   2           HA       SER   2 -14.923  12.215   2.964
   12    HB2  SER   2           HB2      SER   2 -16.036  15.032   3.225
   13    HB3  SER   2           HB3      SER   2 -15.737  14.138   1.719
   14    HG   SER   2           HG       SER   2 -17.899  13.978   2.328
   15    H    TYR   3           H        TYR   3 -13.787  14.024   1.369
   16    HA   TYR   3           HA       TYR   3 -11.373  14.985   2.851
   17    HB2  TYR   3           HB2      TYR   3 -11.468  13.429   0.247
   18    HB3  TYR   3           HB3      TYR   3 -10.021  14.115   0.971
   19    HD1  TYR   3           HD2      TYR   3 -12.802  11.726   1.736
   20    HD2  TYR   3           HD1      TYR   3  -8.677  12.762   2.338
   21    HE1  TYR   3           HE2      TYR   3 -12.469   9.625   3.025
   22    HE2  TYR   3           HE1      TYR   3  -8.308  10.625   3.554
   23    HH   TYR   3           HH       TYR   3  -9.294   8.722   4.412
   24    H    GLY   4           H        GLY   4 -13.738  15.453   0.286
   25    HA2  GLY   4           HA2      GLY   4 -14.246  17.363  -0.859
   26    HA3  GLY   4           HA3      GLY   4 -12.890  18.201  -0.079
   27    H    ARG   5           H        ARG   5 -12.608  15.157  -1.889
   28    HA   ARG   5           HA       ARG   5 -11.066  14.599  -3.499
   29    HB2  ARG   5           HB2      ARG   5 -11.754  15.409  -5.722
   30    HB3  ARG   5           HB3      ARG   5 -13.018  14.692  -4.711
   31    HG2  ARG   5           HG2      ARG   5 -13.836  16.877  -4.068
   32    HG3  ARG   5           HG3      ARG   5 -12.598  17.685  -5.062
   33    HD2  ARG   5           HD2      ARG   5 -14.541  15.612  -6.091
   34    HD3  ARG   5           HD3      ARG   5 -14.889  17.364  -6.110
   35    HE   ARG   5           HE       ARG   5 -12.781  17.586  -7.509
   36   HH11  ARG   5          HH11      ARG   5 -14.661  14.564  -7.601
   37   HH12  ARG   5          HH12      ARG   5 -14.065  14.131  -9.176
   38   HH21  ARG   5          HH21      ARG   5 -12.043  16.969  -9.547
   39   HH22  ARG   5          HH22      ARG   5 -12.575  15.465 -10.264
   40    HA   PRO   6           HA       PRO   6  -8.566  18.560  -3.030
   41    HB2  PRO   6           HB2      PRO   6  -6.451  17.575  -1.566
   42    HB3  PRO   6           HB3      PRO   6  -7.988  18.128  -0.828
   43    HG2  PRO   6           HG2      PRO   6  -7.178  15.302  -1.535
   44    HG3  PRO   6           HG3      PRO   6  -7.877  15.911   0.007
   45    HD2  PRO   6           HD2      PRO   6  -9.429  14.739  -1.904
   46    HD3  PRO   6           HD3      PRO   6 -10.027  16.132  -0.960
   47    HA   PRO   7           HA       PRO   7  -6.042  17.362  -6.457
   48    HB2  PRO   7           HB2      PRO   7  -4.261  19.427  -6.596
   49    HB3  PRO   7           HB3      PRO   7  -6.008  19.620  -6.951
   50    HG2  PRO   7           HG2      PRO   7  -4.562  20.229  -4.353
   51    HG3  PRO   7           HG3      PRO   7  -5.722  21.271  -5.244
   52    HD2  PRO   7           HD2      PRO   7  -6.480  19.694  -3.139
   53    HD3  PRO   7           HD3      PRO   7  -7.559  19.966  -4.550
   54    HA   PRO   8           HA       PRO   8  -2.598  15.362  -4.288
   55    HB2  PRO   8           HB2      PRO   8  -2.172  13.347  -6.001
   56    HB3  PRO   8           HB3      PRO   8  -3.694  13.423  -5.070
   57    HG2  PRO   8           HG2      PRO   8  -3.239  14.376  -7.913
   58    HG3  PRO   8           HG3      PRO   8  -4.533  13.290  -7.320
   59    HD2  PRO   8           HD2      PRO   8  -4.888  15.998  -7.611
   60    HD3  PRO   8           HD3      PRO   8  -5.694  15.063  -6.317
   61    H    ASP   9           H        ASP   9  -0.443  14.323  -5.595
   62    HA   ASP   9           HA       ASP   9   0.610  16.498  -7.342
   63    HB2  ASP   9           HB2      ASP   9   1.996  15.177  -4.971
   64    HB3  ASP   9           HB3      ASP   9   2.753  16.312  -6.098
   65    H    VAL  10           H        VAL  10  -0.516  13.867  -7.971
   66    HA   VAL  10           HA       VAL  10   1.369  11.834  -8.365
   67    HB   VAL  10           HB       VAL  10  -0.203  10.923  -9.975
   68   HG11  VAL  10          HG11      VAL  10  -2.260  10.939  -8.630
   69   HG12  VAL  10          HG12      VAL  10  -0.826  10.813  -7.582
   70   HG13  VAL  10          HG13      VAL  10  -1.691  12.362  -7.740
   71   HG21  VAL  10          HG21      VAL  10  -2.195  12.204 -10.696
   72   HG22  VAL  10          HG22      VAL  10  -1.566  13.656  -9.886
   73   HG23  VAL  10          HG23      VAL  10  -0.707  12.961 -11.281
   74    H    GLU  11           H        GLU  11   1.287  14.882  -9.874
   75    HA   GLU  11           HA       GLU  11   2.189  14.219 -12.495
   76    HB2  GLU  11           HB2      GLU  11   2.731  16.629 -12.602
   77    HB3  GLU  11           HB3      GLU  11   1.106  16.334 -11.960
   78    HG2  GLU  11           HG2      GLU  11   1.913  16.650  -9.662
   79    HG3  GLU  11           HG3      GLU  11   3.567  16.879 -10.249
   80    H    GLY  12           H        GLY  12   3.831  13.636  -9.632
   81    HA2  GLY  12           HA2      GLY  12   6.355  13.375 -10.998
   82    HA3  GLY  12           HA3      GLY  12   6.348  14.774  -9.913
   83    H    MET  13           H        MET  13   4.505  11.793  -9.136
   84    HA   MET  13           HA       MET  13   6.673  10.938  -7.324
   85    HB2  MET  13           HB2      MET  13   5.260  10.977  -5.348
   86    HB3  MET  13           HB3      MET  13   5.437  12.580  -6.042
   87    HG2  MET  13           HG2      MET  13   3.185  12.386  -5.390
   88    HG3  MET  13           HG3      MET  13   3.187  12.278  -7.147
   89    HE1  MET  13           HE1      MET  13   0.556  11.609  -6.080
   90    HE2  MET  13           HE2      MET  13   0.268  10.041  -5.293
   91    HE3  MET  13           HE3      MET  13   1.185  11.300  -4.443
   92    H    THR  14           H        THR  14   6.093   8.888  -6.150
   93    HA   THR  14           HA       THR  14   5.205   6.972  -8.162
   94    HB   THR  14           HB       THR  14   6.249   6.583  -5.345
   95   HG21  THR  14          HG21      THR  14   5.815   4.657  -7.671
   96   HG22  THR  14          HG22      THR  14   6.694   4.250  -6.174
   97   HG23  THR  14          HG23      THR  14   4.965   4.615  -6.116
   98    H    SER  15           H        SER  15   3.001   7.315  -8.295
   99    HA   SER  15           HA       SER  15   1.148   7.219  -6.095
  100    HB2  SER  15           HB2      SER  15   0.845   6.743  -9.076
  101    HB3  SER  15           HB3      SER  15  -0.513   6.692  -7.931
  102    HG   SER  15           HG       SER  15   1.244   8.884  -8.329
  103    H    LEU  16           H        LEU  16   1.918   5.351  -4.834
  104    HA   LEU  16           HA       LEU  16   1.677   2.698  -6.024
  105    HB2  LEU  16           HB2      LEU  16   2.932   3.244  -3.865
  106    HB3  LEU  16           HB3      LEU  16   1.340   3.434  -3.094
  107    HG   LEU  16           HG       LEU  16   0.789   1.064  -3.648
  108   HD11  LEU  16          HD11      LEU  16   2.315   0.805  -5.615
  109   HD12  LEU  16          HD12      LEU  16   3.707   0.931  -4.517
  110   HD13  LEU  16          HD13      LEU  16   2.587  -0.440  -4.380
  111   HD21  LEU  16          HD21      LEU  16   2.251   0.064  -1.976
  112   HD22  LEU  16          HD22      LEU  16   3.361   1.449  -2.095
  113   HD23  LEU  16          HD23      LEU  16   1.716   1.681  -1.465
  114    H    LYS  17           H        LYS  17  -0.023   1.154  -5.443
  115    HA   LYS  17           HA       LYS  17  -2.615   2.332  -4.574
  116    HB2  LYS  17           HB2      LYS  17  -2.745   2.101  -6.986
  117    HB3  LYS  17           HB3      LYS  17  -2.128   0.427  -6.888
  118    HG2  LYS  17           HG2      LYS  17  -4.143  -0.204  -5.561
  119    HG3  LYS  17           HG3      LYS  17  -4.736   1.458  -5.717
  120    HD2  LYS  17           HD2      LYS  17  -5.813   0.032  -7.381
  121    HD3  LYS  17           HD3      LYS  17  -4.727   1.167  -8.205
  122    HE2  LYS  17           HE2      LYS  17  -4.549  -1.118  -9.133
  123    HE3  LYS  17           HE3      LYS  17  -3.018  -0.598  -8.412
  124    HZ1  LYS  17           HZ1      LYS  17  -5.014  -2.266  -7.038
  125    HZ2  LYS  17           HZ2      LYS  17  -3.697  -2.874  -7.822
  126    HZ3  LYS  17           HZ3      LYS  17  -3.504  -1.914  -6.505
  127    H    VAL  18           H        VAL  18  -3.796   1.066  -3.201
  128    HA   VAL  18           HA       VAL  18  -2.902  -1.753  -2.671
  129    HB   VAL  18           HB       VAL  18  -3.842   0.329  -0.660
  130   HG11  VAL  18          HG11      VAL  18  -3.247  -2.637  -0.400
  131   HG12  VAL  18          HG12      VAL  18  -3.284  -1.528   0.981
  132   HG13  VAL  18          HG13      VAL  18  -4.748  -1.772   0.003
  133   HG21  VAL  18          HG21      VAL  18  -1.454   0.595  -1.343
  134   HG22  VAL  18          HG22      VAL  18  -1.647   0.113   0.355
  135   HG23  VAL  18          HG23      VAL  18  -1.150  -1.092  -0.849
  136    H    ASP  19           H        ASP  19  -4.598  -3.186  -2.303
  137    HA   ASP  19           HA       ASP  19  -7.400  -2.305  -2.098
  138    HB2  ASP  19           HB2      ASP  19  -6.308  -4.036  -4.353
  139    HB3  ASP  19           HB3      ASP  19  -8.021  -3.827  -3.990
  140    H    ASN  20           H        ASN  20  -8.682  -4.632  -2.349
  141    HA   ASN  20           HA       ASN  20  -9.018  -6.789  -1.811
  142    HB2  ASN  20           HB2      ASN  20  -6.194  -6.738  -2.062
  143    HB3  ASN  20           HB3      ASN  20  -6.529  -7.587  -0.556
  144   HD21  ASN  20          HD22      ASN  20  -5.974  -9.611  -1.231
  145   HD22  ASN  20          HD21      ASN  20  -6.799 -10.477  -2.517
  146    H    LEU  21           H        LEU  21  -9.425  -4.529   0.033
  147    HA   LEU  21           HA       LEU  21  -8.809  -5.081   2.708
  148    HB2  LEU  21           HB2      LEU  21 -11.202  -3.789   1.368
  149    HB3  LEU  21           HB3      LEU  21 -11.060  -3.876   3.114
  150    HG   LEU  21           HG       LEU  21 -10.285  -1.728   1.868
  151   HD11  LEU  21          HD11      LEU  21  -8.684  -1.310   3.656
  152   HD12  LEU  21          HD12      LEU  21 -10.088  -2.196   4.270
  153   HD13  LEU  21          HD13      LEU  21  -8.549  -3.058   3.963
  154   HD21  LEU  21          HD21      LEU  21  -8.695  -2.802   0.276
  155   HD22  LEU  21          HD22      LEU  21  -7.870  -1.666   1.354
  156   HD23  LEU  21          HD23      LEU  21  -7.733  -3.396   1.660
  157    H    THR  22           H        THR  22  -9.285  -6.694   4.016
  158    HA   THR  22           HA       THR  22 -11.076  -8.788   3.208
  159    HB   THR  22           HB       THR  22  -9.809  -8.295   5.941
  160   HG21  THR  22          HG21      THR  22 -10.670 -10.810   4.458
  161   HG22  THR  22          HG22      THR  22  -9.661 -10.813   5.919
  162   HG23  THR  22          HG23      THR  22 -11.318 -10.184   6.005
  163    H    TYR  23           H        TYR  23 -12.812  -9.598   4.803
  164    HA   TYR  23           HA       TYR  23 -14.855  -7.648   5.038
  165    HB2  TYR  23           HB2      TYR  23 -16.125  -9.469   6.050
  166    HB3  TYR  23           HB3      TYR  23 -15.226 -10.037   4.640
  167    HD1  TYR  23           HD1      TYR  23 -13.235 -11.503   4.913
  168    HD2  TYR  23           HD2      TYR  23 -15.622 -10.269   8.265
  169    HE1  TYR  23           HE1      TYR  23 -12.214 -13.291   6.286
  170    HE2  TYR  23           HE2      TYR  23 -14.588 -12.041   9.665
  171    HH   TYR  23           HH       TYR  23 -12.126 -14.294   8.342
  172    H    ARG  24           H        ARG  24 -12.211  -7.486   6.844
  173    HA   ARG  24           HA       ARG  24 -13.619  -6.750   9.356
  174    HB2  ARG  24           HB2      ARG  24 -11.789  -7.850  10.596
  175    HB3  ARG  24           HB3      ARG  24 -12.621  -9.012   9.535
  176    HG2  ARG  24           HG2      ARG  24 -10.836  -8.554   7.780
  177    HG3  ARG  24           HG3      ARG  24  -9.954  -7.628   9.022
  178    HD2  ARG  24           HD2      ARG  24  -9.909  -9.634  10.450
  179    HD3  ARG  24           HD3      ARG  24 -10.810 -10.531   9.191
  180    HE   ARG  24           HE       ARG  24  -8.694  -9.732   7.755
  181   HH11  ARG  24          HH11      ARG  24  -8.783 -11.115  11.010
  182   HH12  ARG  24          HH12      ARG  24  -7.195 -11.834  10.860
  183   HH21  ARG  24          HH21      ARG  24  -6.665 -10.681   7.587
  184   HH22  ARG  24          HH22      ARG  24  -5.988 -11.572   8.935
  185    H    THR  25           H        THR  25 -12.333  -5.310   6.910
  186    HA   THR  25           HA       THR  25 -10.352  -3.688   8.447
  187    HB   THR  25           HB       THR  25 -10.158  -4.169   5.466
  188   HG21  THR  25          HG21      THR  25  -7.733  -3.798   5.989
  189   HG22  THR  25          HG22      THR  25  -8.731  -2.395   6.426
  190   HG23  THR  25          HG23      THR  25  -8.162  -3.517   7.687
  191    H    SER  26           H        SER  26  -9.990  -1.509   7.516
  192    HA   SER  26           HA       SER  26 -12.300  -0.246   6.166
  193    HB2  SER  26           HB2      SER  26 -11.358   0.428   8.993
  194    HB3  SER  26           HB3      SER  26 -12.546   1.358   8.075
  195    HG   SER  26           HG       SER  26 -13.861  -0.510   8.030
  196    HA   PRO  27           HA       PRO  27  -9.095   2.267   4.584
  197    HB2  PRO  27           HB2      PRO  27 -10.080   4.818   4.451
  198    HB3  PRO  27           HB3      PRO  27 -10.652   3.471   3.415
  199    HG2  PRO  27           HG2      PRO  27 -11.905   4.528   5.961
  200    HG3  PRO  27           HG3      PRO  27 -12.713   4.130   4.410
  201    HD2  PRO  27           HD2      PRO  27 -12.705   2.418   6.519
  202    HD3  PRO  27           HD3      PRO  27 -12.607   1.816   4.856
  203    H    ASP  28           H        ASP  28 -10.468   3.458   7.660
  204    HA   ASP  28           HA       ASP  28  -8.318   5.285   8.214
  205    HB2  ASP  28           HB2      ASP  28 -10.545   5.232   9.407
  206    HB3  ASP  28           HB3      ASP  28 -10.014   3.740  10.209
  207    H    THR  29           H        THR  29  -8.819   1.798   8.767
  208    HA   THR  29           HA       THR  29  -6.384   1.464  10.310
  209    HB   THR  29           HB       THR  29  -8.097  -0.548   8.786
  210   HG21  THR  29          HG21      THR  29  -5.929  -0.857  10.904
  211   HG22  THR  29          HG22      THR  29  -7.005  -2.167  10.349
  212   HG23  THR  29          HG23      THR  29  -5.857  -1.419   9.216
  213    H    LEU  30           H        LEU  30  -7.357   0.972   6.862
  214    HA   LEU  30           HA       LEU  30  -4.866  -0.026   5.984
  215    HB2  LEU  30           HB2      LEU  30  -7.338   0.874   4.850
  216    HB3  LEU  30           HB3      LEU  30  -6.056   1.747   4.011
  217    HG   LEU  30           HG       LEU  30  -6.783  -0.416   2.946
  218   HD11  LEU  30          HD11      LEU  30  -4.443  -1.310   2.638
  219   HD12  LEU  30          HD12      LEU  30  -4.628   0.429   2.321
  220   HD13  LEU  30          HD13      LEU  30  -3.910  -0.115   3.852
  221   HD21  LEU  30          HD21      LEU  30  -7.045  -1.649   5.157
  222   HD22  LEU  30          HD22      LEU  30  -6.182  -2.524   3.866
  223   HD23  LEU  30          HD23      LEU  30  -5.272  -1.795   5.201
  224    H    ARG  31           H        ARG  31  -5.726   3.158   7.075
  225    HA   ARG  31           HA       ARG  31  -3.548   4.512   5.675
  226    HB2  ARG  31           HB2      ARG  31  -5.842   5.439   6.591
  227    HB3  ARG  31           HB3      ARG  31  -4.987   5.539   8.133
  228    HG2  ARG  31           HG2      ARG  31  -4.192   6.911   5.520
  229    HG3  ARG  31           HG3      ARG  31  -4.916   7.679   6.940
  230    HD2  ARG  31           HD2      ARG  31  -2.848   6.954   8.248
  231    HD3  ARG  31           HD3      ARG  31  -2.148   6.464   6.681
  232    HE   ARG  31           HE       ARG  31  -1.852   8.682   6.108
  233   HH11  ARG  31          HH11      ARG  31  -3.822   8.484   9.053
  234   HH12  ARG  31          HH12      ARG  31  -3.728  10.197   9.361
  235   HH21  ARG  31          HH21      ARG  31  -1.746  10.905   6.543
  236   HH22  ARG  31          HH22      ARG  31  -2.556  11.568   7.943
  237    H    ARG  32           H        ARG  32  -4.269   3.715   9.131
  238    HA   ARG  32           HA       ARG  32  -1.705   4.514  10.083
  239    HB2  ARG  32           HB2      ARG  32  -2.402   3.697  12.140
  240    HB3  ARG  32           HB3      ARG  32  -3.967   3.982  11.335
  241    HG2  ARG  32           HG2      ARG  32  -3.959   1.585  10.617
  242    HG3  ARG  32           HG3      ARG  32  -2.473   1.324  11.575
  243    HD2  ARG  32           HD2      ARG  32  -5.117   2.284  12.644
  244    HD3  ARG  32           HD3      ARG  32  -4.501   0.602  12.686
  245    HE   ARG  32           HE       ARG  32  -2.541   2.280  13.859
  246   HH11  ARG  32          HH11      ARG  32  -5.832   1.183  14.544
  247   HH12  ARG  32          HH12      ARG  32  -5.640   1.311  16.276
  248   HH21  ARG  32          HH21      ARG  32  -2.321   2.436  16.124
  249   HH22  ARG  32          HH22      ARG  32  -3.656   2.017  17.168
  250    H    VAL  33           H        VAL  33  -2.879   1.530   8.604
  251    HA   VAL  33           HA       VAL  33  -0.758  -0.125   9.627
  252    HB   VAL  33           HB       VAL  33  -2.908  -0.488   7.512
  253   HG11  VAL  33          HG11      VAL  33  -2.304  -2.894   7.538
  254   HG12  VAL  33          HG12      VAL  33  -1.027  -1.886   6.836
  255   HG13  VAL  33          HG13      VAL  33  -0.853  -2.510   8.497
  256   HG21  VAL  33          HG21      VAL  33  -3.811  -2.031   9.199
  257   HG22  VAL  33          HG22      VAL  33  -2.429  -1.707  10.271
  258   HG23  VAL  33          HG23      VAL  33  -3.591  -0.411   9.904
  259    H    PHE  34           H        PHE  34  -1.342   1.789   6.653
  260    HA   PHE  34           HA       PHE  34   1.180   0.751   5.485
  261    HB2  PHE  34           HB2      PHE  34  -1.299   2.069   4.454
  262    HB3  PHE  34           HB3      PHE  34   0.168   2.283   3.547
  263    HD1  PHE  34           HD2      PHE  34  -2.113  -0.321   4.918
  264    HD2  PHE  34           HD1      PHE  34   1.090   0.547   2.188
  265    HE1  PHE  34           HE2      PHE  34  -2.421  -2.532   3.854
  266    HE2  PHE  34           HE1      PHE  34   0.793  -1.675   1.132
  267    HZ   PHE  34           HZ       PHE  34  -0.960  -3.221   1.955
  268    H    GLU  35           H        GLU  35   0.087   3.441   7.339
  269    HA   GLU  35           HA       GLU  35   1.755   5.469   6.174
  270    HB2  GLU  35           HB2      GLU  35  -0.164   5.998   7.566
  271    HB3  GLU  35           HB3      GLU  35   0.533   5.098   8.931
  272    HG2  GLU  35           HG2      GLU  35   2.329   6.726   9.136
  273    HG3  GLU  35           HG3      GLU  35   1.804   7.543   7.645
  274    H    LYS  36           H        LYS  36   2.345   2.794   8.390
  275    HA   LYS  36           HA       LYS  36   4.698   3.857   9.633
  276    HB2  LYS  36           HB2      LYS  36   5.043   1.555  10.389
  277    HB3  LYS  36           HB3      LYS  36   3.338   2.021  10.547
  278    HG2  LYS  36           HG2      LYS  36   2.904   0.870   8.335
  279    HG3  LYS  36           HG3      LYS  36   4.599   0.329   8.338
  280    HD2  LYS  36           HD2      LYS  36   3.159  -1.457   9.161
  281    HD3  LYS  36           HD3      LYS  36   4.180  -0.879  10.489
  282    HE2  LYS  36           HE2      LYS  36   2.300   0.509  11.307
  283    HE3  LYS  36           HE3      LYS  36   1.305  -0.045   9.942
  284    HZ1  LYS  36           HZ1      LYS  36   0.868  -1.294  11.954
  285    HZ2  LYS  36           HZ2      LYS  36   1.510  -2.282  10.807
  286    HZ3  LYS  36           HZ3      LYS  36   2.440  -1.756  12.058
  287    H    TYR  37           H        TYR  37   4.140   2.377   6.512
  288    HA   TYR  37           HA       TYR  37   6.907   1.618   6.074
  289    HB2  TYR  37           HB2      TYR  37   4.544   1.939   4.201
  290    HB3  TYR  37           HB3      TYR  37   6.132   1.325   3.711
  291    HD1  TYR  37           HD1      TYR  37   3.183   0.672   5.881
  292    HD2  TYR  37           HD2      TYR  37   6.797  -0.910   4.182
  293    HE1  TYR  37           HE1      TYR  37   2.556  -1.586   6.681
  294    HE2  TYR  37           HE2      TYR  37   6.179  -3.188   4.975
  295    HH   TYR  37           HH       TYR  37   3.191  -3.806   6.829
  296    H    GLY  38           H        GLY  38   5.158   4.623   5.904
  297    HA2  GLY  38           HA2      GLY  38   7.414   6.201   5.654
  298    HA3  GLY  38           HA3      GLY  38   6.926   5.890   3.981
  299    H    ARG  39           H        ARG  39   4.778   6.556   3.279
  300    HA   ARG  39           HA       ARG  39   3.105   8.144   5.047
  301    HB2  ARG  39           HB2      ARG  39   3.253  10.172   3.556
  302    HB3  ARG  39           HB3      ARG  39   4.603   9.901   4.673
  303    HG2  ARG  39           HG2      ARG  39   6.014   9.072   2.887
  304    HG3  ARG  39           HG3      ARG  39   4.658   9.118   1.742
  305    HD2  ARG  39           HD2      ARG  39   6.056  11.118   1.431
  306    HD3  ARG  39           HD3      ARG  39   4.489  11.592   2.069
  307    HE   ARG  39           HE       ARG  39   5.454  12.220   4.093
  308   HH11  ARG  39          HH11      ARG  39   7.854  10.603   2.054
  309   HH12  ARG  39          HH12      ARG  39   9.200  11.061   3.068
  310   HH21  ARG  39          HH21      ARG  39   7.234  12.820   5.385
  311   HH22  ARG  39          HH22      ARG  39   8.850  12.336   4.932
  312    H    VAL  40           H        VAL  40   1.241   9.067   3.892
  313    HA   VAL  40           HA       VAL  40   0.424   7.406   1.551
  314    HB   VAL  40           HB       VAL  40  -1.073   7.884   4.170
  315   HG11  VAL  40          HG11      VAL  40  -2.657   8.104   2.332
  316   HG12  VAL  40          HG12      VAL  40  -2.046   6.594   1.604
  317   HG13  VAL  40          HG13      VAL  40  -2.903   6.566   3.163
  318   HG21  VAL  40          HG21      VAL  40   0.559   6.017   4.242
  319   HG22  VAL  40          HG22      VAL  40  -1.108   5.417   4.280
  320   HG23  VAL  40          HG23      VAL  40  -0.164   5.334   2.769
  321    H    GLY  41           H        GLY  41  -0.258   8.725  -0.057
  322    HA2  GLY  41           HA2      GLY  41  -0.768  11.556   0.496
  323    HA3  GLY  41           HA3      GLY  41  -0.733  10.744  -1.089
  324    H    ASP  42           H        ASP  42  -2.580   8.589  -0.025
  325    HA   ASP  42           HA       ASP  42  -4.996   9.919   0.821
  326    HB2  ASP  42           HB2      ASP  42  -4.959  10.513  -1.621
  327    HB3  ASP  42           HB3      ASP  42  -4.873   8.788  -2.011
  328    H    VAL  43           H        VAL  43  -6.673   8.456   1.284
  329    HA   VAL  43           HA       VAL  43  -6.339   5.585   0.803
  330    HB   VAL  43           HB       VAL  43  -5.164   5.889   2.921
  331   HG11  VAL  43          HG11      VAL  43  -7.721   7.157   3.990
  332   HG12  VAL  43          HG12      VAL  43  -6.275   6.766   4.919
  333   HG13  VAL  43          HG13      VAL  43  -6.185   8.016   3.661
  334   HG21  VAL  43          HG21      VAL  43  -6.585   3.899   2.582
  335   HG22  VAL  43          HG22      VAL  43  -6.374   4.354   4.275
  336   HG23  VAL  43          HG23      VAL  43  -7.910   4.731   3.442
  337    H    TYR  44           H        TYR  44  -8.380   4.808   0.203
  338    HA   TYR  44           HA       TYR  44 -10.754   6.364   0.977
  339    HB2  TYR  44           HB2      TYR  44  -9.532   7.718  -0.667
  340    HB3  TYR  44           HB3      TYR  44  -9.408   6.345  -1.748
  341    HD1  TYR  44           HD1      TYR  44 -12.377   7.792   0.074
  342    HD2  TYR  44           HD2      TYR  44 -10.450   6.838  -3.634
  343    HE1  TYR  44           HE1      TYR  44 -14.395   8.581  -1.162
  344    HE2  TYR  44           HE2      TYR  44 -12.435   7.648  -4.895
  345    HH   TYR  44           HH       TYR  44 -15.373   8.858  -3.221
  346    H    ILE  45           H        ILE  45 -12.705   5.444   0.169
  347    HA   ILE  45           HA       ILE  45 -12.502   2.740  -1.061
  348    HB   ILE  45           HB       ILE  45 -14.290   3.585   1.245
  349   HG12  ILE  45          HG12      ILE  45 -11.979   1.668   0.834
  350   HG13  ILE  45          HG13      ILE  45 -12.088   3.007   1.982
  351   HG21  ILE  45          HG21      ILE  45 -14.255   0.951  -0.294
  352   HG22  ILE  45          HG22      ILE  45 -15.255   1.342   1.126
  353   HG23  ILE  45          HG23      ILE  45 -15.551   2.168  -0.397
  354   HD11  ILE  45          HD11      ILE  45 -13.873   1.721   3.209
  355   HD12  ILE  45          HD12      ILE  45 -13.611   0.363   2.084
  356   HD13  ILE  45          HD13      ILE  45 -12.294   0.884   3.141
  357    HA   PRO  46           HA       PRO  46 -14.744   5.549  -3.875
  358    HB2  PRO  46           HB2      PRO  46 -14.192   3.080  -5.510
  359    HB3  PRO  46           HB3      PRO  46 -14.077   4.801  -6.006
  360    HG2  PRO  46           HG2      PRO  46 -11.838   3.373  -5.409
  361    HG3  PRO  46           HG3      PRO  46 -12.027   5.066  -4.820
  362    HD2  PRO  46           HD2      PRO  46 -12.451   2.487  -3.311
  363    HD3  PRO  46           HD3      PRO  46 -11.659   4.000  -2.772
  364    H    ARG  47           H        ARG  47 -16.799   5.258  -5.007
  365    HA   ARG  47           HA       ARG  47 -18.313   2.782  -4.407
  366    HB2  ARG  47           HB2      ARG  47 -19.148   5.592  -3.554
  367    HB3  ARG  47           HB3      ARG  47 -20.181   4.161  -3.461
  368    HG2  ARG  47           HG2      ARG  47 -18.604   3.103  -1.877
  369    HG3  ARG  47           HG3      ARG  47 -17.546   4.530  -1.966
  370    HD2  ARG  47           HD2      ARG  47 -20.417   4.503  -0.970
  371    HD3  ARG  47           HD3      ARG  47 -18.966   4.559   0.042
  372    HE   ARG  47           HE       ARG  47 -20.207   6.756  -1.373
  373   HH11  ARG  47          HH11      ARG  47 -17.077   5.566  -0.194
  374   HH12  ARG  47          HH12      ARG  47 -16.423   7.175   0.005
  375   HH21  ARG  47          HH21      ARG  47 -19.286   8.826  -1.137
  376   HH22  ARG  47          HH22      ARG  47 -17.643   8.989  -0.550
  377    H    ASP  48           H        ASP  48 -20.208   2.593  -5.738
  378    HA   ASP  48           HA       ASP  48 -20.103   4.007  -8.258
  379    HB2  ASP  48           HB2      ASP  48 -22.338   2.380  -6.981
  380    HB3  ASP  48           HB3      ASP  48 -22.257   2.834  -8.693
  381    H    ARG  49           H        ARG  49 -20.755   5.130  -5.357
  382    HA   ARG  49           HA       ARG  49 -21.532   7.062  -4.603
  383    HB2  ARG  49           HB2      ARG  49 -20.219   8.152  -6.077
  384    HB3  ARG  49           HB3      ARG  49 -21.020   7.515  -7.498
  385    HG2  ARG  49           HG2      ARG  49 -22.883   9.050  -7.220
  386    HG3  ARG  49           HG3      ARG  49 -22.184   9.686  -5.706
  387    HD2  ARG  49           HD2      ARG  49 -20.429   9.613  -8.144
  388    HD3  ARG  49           HD3      ARG  49 -21.742  10.814  -8.117
  389    HE   ARG  49           HE       ARG  49 -19.274  10.906  -6.655
  390   HH11  ARG  49          HH11      ARG  49 -22.691  11.783  -6.367
  391   HH12  ARG  49          HH12      ARG  49 -22.367  13.107  -5.275
  392   HH21  ARG  49          HH21      ARG  49 -18.885  12.608  -5.279
  393   HH22  ARG  49          HH22      ARG  49 -20.201  13.559  -4.619
  394    H    TYR  50           H        TYR  50 -23.589   5.075  -6.297
  395    HA   TYR  50           HA       TYR  50 -25.827   6.293  -4.842
  396    HB2  TYR  50           HB2      TYR  50 -27.339   6.172  -6.811
  397    HB3  TYR  50           HB3      TYR  50 -26.061   7.384  -6.955
  398    HD1  TYR  50           HD2      TYR  50 -27.181   4.049  -8.124
  399    HD2  TYR  50           HD1      TYR  50 -24.406   7.281  -8.653
  400    HE1  TYR  50           HE2      TYR  50 -26.392   3.009 -10.231
  401    HE2  TYR  50           HE1      TYR  50 -23.599   6.267 -10.756
  402    HH   TYR  50           HH       TYR  50 -23.827   4.527 -12.238
  403    H    THR  51           H        THR  51 -24.089   3.540  -5.671
  404    HA   THR  51           HA       THR  51 -26.376   1.924  -4.636
  405    HB   THR  51           HB       THR  51 -25.725   0.007  -5.848
  406   HG21  THR  51          HG21      THR  51 -25.518   2.331  -7.789
  407   HG22  THR  51          HG22      THR  51 -26.024   0.671  -8.159
  408   HG23  THR  51          HG23      THR  51 -27.056   1.705  -7.130
  409    H    LYS  52           H        LYS  52 -23.017   2.804  -4.482
  410    HA   LYS  52           HA       LYS  52 -21.272   2.233  -3.214
  411    HB2  LYS  52           HB2      LYS  52 -21.594   2.568  -0.858
  412    HB3  LYS  52           HB3      LYS  52 -22.521   3.748  -1.779
  413    HG2  LYS  52           HG2      LYS  52 -23.918   1.225  -0.891
  414    HG3  LYS  52           HG3      LYS  52 -23.502   2.423   0.335
  415    HD2  LYS  52           HD2      LYS  52 -24.713   4.178  -0.842
  416    HD3  LYS  52           HD3      LYS  52 -25.115   3.072  -2.165
  417    HE2  LYS  52           HE2      LYS  52 -26.334   1.607  -0.584
  418    HE3  LYS  52           HE3      LYS  52 -25.918   2.690   0.747
  419    HZ1  LYS  52           HZ1      LYS  52 -27.149   4.434  -0.384
  420    HZ2  LYS  52           HZ2      LYS  52 -27.546   3.414  -1.608
  421    HZ3  LYS  52           HZ3      LYS  52 -28.117   3.140  -0.093
  422    H    GLU  53           H        GLU  53 -22.634  -0.207  -4.280
  423    HA   GLU  53           HA       GLU  53 -22.245  -2.211  -2.222
  424    HB2  GLU  53           HB2      GLU  53 -22.660  -3.806  -4.063
  425    HB3  GLU  53           HB3      GLU  53 -23.888  -2.528  -4.017
  426    HG2  GLU  53           HG2      GLU  53 -22.742  -1.342  -5.855
  427    HG3  GLU  53           HG3      GLU  53 -21.470  -2.573  -5.875
  428    H    SER  54           H        SER  54 -20.007  -0.316  -3.553
  429    HA   SER  54           HA       SER  54 -18.100  -2.019  -4.788
  430    HB2  SER  54           HB2      SER  54 -16.583  -0.089  -4.393
  431    HB3  SER  54           HB3      SER  54 -18.156   0.426  -5.049
  432    HG   SER  54           HG       SER  54 -17.274   1.565  -3.135
  433    H    ARG  55           H        ARG  55 -18.774  -1.425  -1.377
  434    HA   ARG  55           HA       ARG  55 -16.529  -1.799  -0.006
  435    HB2  ARG  55           HB2      ARG  55 -17.832  -3.061   1.667
  436    HB3  ARG  55           HB3      ARG  55 -18.657  -1.614   1.058
  437    HG2  ARG  55           HG2      ARG  55 -20.001  -3.048  -0.481
  438    HG3  ARG  55           HG3      ARG  55 -19.236  -4.489   0.219
  439    HD2  ARG  55           HD2      ARG  55 -20.858  -2.427   1.763
  440    HD3  ARG  55           HD3      ARG  55 -21.454  -4.002   1.232
  441    HE   ARG  55           HE       ARG  55 -19.637  -3.444   3.469
  442   HH11  ARG  55          HH11      ARG  55 -20.922  -5.909   1.281
  443   HH12  ARG  55          HH12      ARG  55 -20.530  -7.233   2.355
  444   HH21  ARG  55          HH21      ARG  55 -19.130  -5.194   4.844
  445   HH22  ARG  55          HH22      ARG  55 -19.503  -6.829   4.349
  446    H    GLY  56           H        GLY  56 -14.886  -2.928  -0.080
  447    HA2  GLY  56           HA2      GLY  56 -14.387  -5.586   0.194
  448    HA3  GLY  56           HA3      GLY  56 -14.745  -5.476  -1.541
  449    H    PHE  57           H        PHE  57 -13.455  -2.526  -0.988
  450    HA   PHE  57           HA       PHE  57 -10.616  -3.263  -0.855
  451    HB2  PHE  57           HB2      PHE  57 -10.034  -2.347  -2.956
  452    HB3  PHE  57           HB3      PHE  57 -11.241  -3.593  -3.226
  453    HD1  PHE  57           HD2      PHE  57 -13.401  -1.131  -2.216
  454    HD2  PHE  57           HD1      PHE  57 -10.583  -1.885  -5.386
  455    HE1  PHE  57           HE2      PHE  57 -14.598   0.459  -3.673
  456    HE2  PHE  57           HE1      PHE  57 -11.823  -0.324  -6.855
  457    HZ   PHE  57           HZ       PHE  57 -13.829   0.863  -5.994
  458    H    ALA  58           H        ALA  58  -9.263  -1.242  -1.035
  459    HA   ALA  58           HA       ALA  58 -10.633   1.290  -0.595
  460    HB1  ALA  58           HB1      ALA  58  -8.648   0.231   1.489
  461    HB2  ALA  58           HB2      ALA  58  -9.389   1.832   1.471
  462    HB3  ALA  58           HB3      ALA  58 -10.402   0.413   1.753
  463    H    PHE  59           H        PHE  59  -9.777   1.996  -2.490
  464    HA   PHE  59           HA       PHE  59  -7.065   1.504  -3.322
  465    HB2  PHE  59           HB2      PHE  59  -8.732   2.013  -4.977
  466    HB3  PHE  59           HB3      PHE  59  -9.198   3.493  -4.141
  467    HD1  PHE  59           HD1      PHE  59  -7.806   5.486  -4.187
  468    HD2  PHE  59           HD2      PHE  59  -6.824   2.059  -6.627
  469    HE1  PHE  59           HE1      PHE  59  -6.278   6.859  -5.526
  470    HE2  PHE  59           HE2      PHE  59  -5.222   3.415  -7.875
  471    HZ   PHE  59           HZ       PHE  59  -4.876   5.790  -7.325
  472    H    VAL  60           H        VAL  60  -5.419   2.124  -2.052
  473    HA   VAL  60           HA       VAL  60  -5.492   4.948  -1.030
  474    HB   VAL  60           HB       VAL  60  -4.427   4.399   0.867
  475   HG11  VAL  60          HG11      VAL  60  -5.198   2.393   1.856
  476   HG12  VAL  60          HG12      VAL  60  -6.459   2.911   0.717
  477   HG13  VAL  60          HG13      VAL  60  -5.353   1.577   0.284
  478   HG21  VAL  60          HG21      VAL  60  -3.010   2.183  -0.635
  479   HG22  VAL  60          HG22      VAL  60  -2.323   3.689   0.008
  480   HG23  VAL  60          HG23      VAL  60  -2.862   2.428   1.126
  481    H    ARG  61           H        ARG  61  -3.323   6.065  -1.071
  482    HA   ARG  61           HA       ARG  61  -1.688   4.978  -3.267
  483    HB2  ARG  61           HB2      ARG  61  -2.045   6.702  -4.723
  484    HB3  ARG  61           HB3      ARG  61  -3.618   6.722  -3.928
  485    HG2  ARG  61           HG2      ARG  61  -2.765   8.514  -2.384
  486    HG3  ARG  61           HG3      ARG  61  -1.252   8.542  -3.316
  487    HD2  ARG  61           HD2      ARG  61  -4.044   9.132  -4.359
  488    HD3  ARG  61           HD3      ARG  61  -2.748  10.304  -4.099
  489    HE   ARG  61           HE       ARG  61  -1.444   9.033  -5.855
  490   HH11  ARG  61          HH11      ARG  61  -4.982   9.005  -5.822
  491   HH12  ARG  61          HH12      ARG  61  -5.093   8.571  -7.514
  492   HH21  ARG  61          HH21      ARG  61  -1.644   8.477  -8.055
  493   HH22  ARG  61          HH22      ARG  61  -3.237   8.264  -8.761
  494    H    PHE  62           H        PHE  62   0.424   5.569  -3.355
  495    HA   PHE  62           HA       PHE  62   1.483   7.129  -0.992
  496    HB2  PHE  62           HB2      PHE  62   2.670   4.797  -2.515
  497    HB3  PHE  62           HB3      PHE  62   3.635   5.868  -1.551
  498    HD1  PHE  62           HD2      PHE  62   0.279   4.289  -0.779
  499    HD2  PHE  62           HD1      PHE  62   4.404   4.877   0.294
  500    HE1  PHE  62           HE2      PHE  62  -0.068   2.964   1.286
  501    HE2  PHE  62           HE1      PHE  62   4.080   3.468   2.310
  502    HZ   PHE  62           HZ       PHE  62   1.875   2.482   2.784
  503    H    HIS  63           H        HIS  63   3.837   7.894  -1.556
  504    HA   HIS  63           HA       HIS  63   3.904   9.009  -4.297
  505    HB2  HIS  63           HB2      HIS  63   4.973  11.025  -2.675
  506    HB3  HIS  63           HB3      HIS  63   3.480  11.054  -3.584
  507    HD2  HIS  63           HD2      HIS  63   3.929   9.203  -0.107
  508    HE1  HIS  63           HE1      HIS  63   1.126  12.365   0.341
  509    HE2  HIS  63           HE2      HIS  63   2.253  10.390   1.490
  510    H    ASP  64           H        ASP  64   5.716   8.107  -1.368
  511    HA   ASP  64           HA       ASP  64   8.299   8.695  -2.601
  512    HB2  ASP  64           HB2      ASP  64   7.251   7.363  -0.125
  513    HB3  ASP  64           HB3      ASP  64   8.934   7.054  -0.616
  514    H    LYS  65           H        LYS  65   9.369   7.423  -4.051
  515    HA   LYS  65           HA       LYS  65   8.276   4.993  -5.031
  516    HB2  LYS  65           HB2      LYS  65   9.776   6.212  -6.421
  517    HB3  LYS  65           HB3      LYS  65  11.028   6.250  -5.179
  518    HG2  LYS  65           HG2      LYS  65  11.551   4.665  -7.009
  519    HG3  LYS  65           HG3      LYS  65  11.495   3.907  -5.419
  520    HD2  LYS  65           HD2      LYS  65  10.454   2.483  -7.115
  521    HD3  LYS  65           HD3      LYS  65   9.266   2.974  -5.907
  522    HE2  LYS  65           HE2      LYS  65   8.271   3.104  -8.102
  523    HE3  LYS  65           HE3      LYS  65   8.438   4.735  -7.440
  524    HZ1  LYS  65           HZ1      LYS  65   9.142   4.612  -9.744
  525    HZ2  LYS  65           HZ2      LYS  65  10.400   5.024  -8.781
  526    HZ3  LYS  65           HZ3      LYS  65  10.285   3.489  -9.371
  527    H    ARG  66           H        ARG  66  11.120   5.493  -2.838
  528    HA   ARG  66           HA       ARG  66  11.632   2.743  -2.505
  529    HB2  ARG  66           HB2      ARG  66  13.025   3.335  -0.664
  530    HB3  ARG  66           HB3      ARG  66  13.232   4.517  -1.956
  531    HG2  ARG  66           HG2      ARG  66  11.500   4.924   0.520
  532    HG3  ARG  66           HG3      ARG  66  13.185   5.431   0.382
  533    HD2  ARG  66           HD2      ARG  66  10.883   6.473  -1.317
  534    HD3  ARG  66           HD3      ARG  66  11.700   7.323  -0.002
  535    HE   ARG  66           HE       ARG  66  13.552   6.451  -2.057
  536   HH11  ARG  66          HH11      ARG  66  11.260   9.014  -1.176
  537   HH12  ARG  66          HH12      ARG  66  12.046  10.204  -2.178
  538   HH21  ARG  66          HH21      ARG  66  14.543   8.035  -3.343
  539   HH22  ARG  66          HH22      ARG  66  13.889   9.655  -3.400
  540    H    ASP  67           H        ASP  67   9.268   4.789  -0.793
  541    HA   ASP  67           HA       ASP  67   8.801   2.669   1.194
  542    HB2  ASP  67           HB2      ASP  67   7.329   5.270   0.619
  543    HB3  ASP  67           HB3      ASP  67   7.051   4.213   2.011
  544    H    ALA  68           H        ALA  68   7.537   3.672  -1.945
  545    HA   ALA  68           HA       ALA  68   5.009   2.315  -1.635
  546    HB1  ALA  68           HB1      ALA  68   6.557   3.394  -4.026
  547    HB2  ALA  68           HB2      ALA  68   4.933   2.703  -4.152
  548    HB3  ALA  68           HB3      ALA  68   5.179   4.173  -3.193
  549    H    GLU  69           H        GLU  69   8.192   1.563  -3.202
  550    HA   GLU  69           HA       GLU  69   7.212  -1.030  -4.073
  551    HB2  GLU  69           HB2      GLU  69   9.512  -1.460  -4.759
  552    HB3  GLU  69           HB3      GLU  69   8.947   0.099  -5.367
  553    HG2  GLU  69           HG2      GLU  69  10.279   1.310  -3.784
  554    HG3  GLU  69           HG3      GLU  69  10.531  -0.123  -2.785
  555    H    ASP  70           H        ASP  70   8.585   0.197  -1.067
  556    HA   ASP  70           HA       ASP  70   9.382  -2.473  -0.176
  557    HB2  ASP  70           HB2      ASP  70  10.441  -0.414   0.688
  558    HB3  ASP  70           HB3      ASP  70   8.881   0.095   1.369
  559    H    ALA  71           H        ALA  71   6.506  -0.335   0.199
  560    HA   ALA  71           HA       ALA  71   5.226  -1.978   2.152
  561    HB1  ALA  71           HB1      ALA  71   4.569   0.345   1.694
  562    HB2  ALA  71           HB2      ALA  71   4.057  -0.109   0.053
  563    HB3  ALA  71           HB3      ALA  71   3.179  -0.742   1.467
  564    H    MET  72           H        MET  72   5.307  -2.157  -1.432
  565    HA   MET  72           HA       MET  72   3.252  -4.218  -1.484
  566    HB2  MET  72           HB2      MET  72   3.569  -4.265  -3.784
  567    HB3  MET  72           HB3      MET  72   4.032  -2.594  -3.357
  568    HG2  MET  72           HG2      MET  72   6.390  -3.231  -3.404
  569    HG3  MET  72           HG3      MET  72   5.952  -4.904  -3.816
  570    HE1  MET  72           HE1      MET  72   5.461  -1.240  -4.773
  571    HE2  MET  72           HE2      MET  72   5.164  -1.275  -6.535
  572    HE3  MET  72           HE3      MET  72   3.933  -1.878  -5.392
  573    H    ASP  73           H        ASP  73   6.791  -4.091  -1.466
  574    HA   ASP  73           HA       ASP  73   7.135  -6.956  -1.739
  575    HB2  ASP  73           HB2      ASP  73   8.762  -5.226  -2.520
  576    HB3  ASP  73           HB3      ASP  73   9.092  -4.807  -0.831
  577    H    ALA  74           H        ALA  74   5.849  -5.269   0.843
  578    HA   ALA  74           HA       ALA  74   7.104  -7.143   2.777
  579    HB1  ALA  74           HB1      ALA  74   6.419  -4.225   3.168
  580    HB2  ALA  74           HB2      ALA  74   7.096  -5.311   4.413
  581    HB3  ALA  74           HB3      ALA  74   8.065  -4.886   2.982
  582    H    MET  75           H        MET  75   4.164  -6.050   1.392
  583    HA   MET  75           HA       MET  75   2.775  -7.419   3.647
  584    HB2  MET  75           HB2      MET  75   2.665  -4.748   3.528
  585    HB3  MET  75           HB3      MET  75   1.378  -5.124   2.350
  586    HG2  MET  75           HG2      MET  75   0.462  -6.746   4.090
  587    HG3  MET  75           HG3      MET  75   1.624  -6.047   5.228
  588    HE1  MET  75           HE1      MET  75   0.334  -2.294   5.368
  589    HE2  MET  75           HE2      MET  75   1.510  -3.453   6.037
  590    HE3  MET  75           HE3      MET  75   1.578  -2.992   4.318
  591    H    ASP  76           H        ASP  76   2.829  -6.676   0.147
  592    HA   ASP  76           HA       ASP  76   0.213  -7.679  -0.380
  593    HB2  ASP  76           HB2      ASP  76   1.392  -6.314  -1.993
  594    HB3  ASP  76           HB3      ASP  76   2.720  -7.486  -2.092
  595    H    GLY  77           H        GLY  77  -0.557  -9.677  -0.723
  596    HA2  GLY  77           HA2      GLY  77  -0.587 -11.953  -1.159
  597    HA3  GLY  77           HA3      GLY  77   1.178 -11.940  -1.342
  598    H    ALA  78           H        ALA  78   0.176 -10.479   1.607
  599    HA   ALA  78           HA       ALA  78   1.235 -12.755   3.104
  600    HB1  ALA  78           HB1      ALA  78   0.219 -10.018   4.016
  601    HB2  ALA  78           HB2      ALA  78   1.083 -11.191   5.030
  602    HB3  ALA  78           HB3      ALA  78   1.907 -10.420   3.653
  603    H    VAL  79           H        VAL  79  -1.168 -13.211   1.706
  604    HA   VAL  79           HA       VAL  79  -3.465 -12.797   3.387
  605    HB   VAL  79           HB       VAL  79  -3.138 -14.576   0.957
  606   HG11  VAL  79          HG11      VAL  79  -5.663 -13.339   1.970
  607   HG12  VAL  79          HG12      VAL  79  -5.399 -14.184   0.430
  608   HG13  VAL  79          HG13      VAL  79  -5.213 -15.081   1.940
  609   HG21  VAL  79          HG21      VAL  79  -2.385 -12.294   0.393
  610   HG22  VAL  79          HG22      VAL  79  -3.956 -12.601  -0.361
  611   HG23  VAL  79          HG23      VAL  79  -3.861 -11.611   1.115
  612    H    LEU  80           H        LEU  80  -4.949 -14.547   3.976
  613    HA   LEU  80           HA       LEU  80  -3.849 -17.226   4.340
  614    HB2  LEU  80           HB2      LEU  80  -3.769 -17.338   6.663
  615    HB3  LEU  80           HB3      LEU  80  -2.980 -15.812   6.292
  616    HG   LEU  80           HG       LEU  80  -5.823 -16.219   7.329
  617   HD11  LEU  80          HD11      LEU  80  -4.939 -15.091   9.337
  618   HD12  LEU  80          HD12      LEU  80  -4.038 -16.578   8.984
  619   HD13  LEU  80          HD13      LEU  80  -3.333 -14.992   8.579
  620   HD21  LEU  80          HD21      LEU  80  -5.810 -14.264   5.874
  621   HD22  LEU  80          HD22      LEU  80  -5.876 -13.746   7.561
  622   HD23  LEU  80          HD23      LEU  80  -4.333 -13.649   6.671
  623    H    ASP  81           H        ASP  81  -6.321 -15.495   3.342
  624    HA   ASP  81           HA       ASP  81  -8.379 -17.405   4.304
  625    HB2  ASP  81           HB2      ASP  81  -8.456 -15.299   5.649
  626    HB3  ASP  81           HB3      ASP  81  -8.645 -14.377   4.149
  627    H    GLY  82           H        GLY  82  -6.713 -16.349   1.715
  628    HA2  GLY  82           HA2      GLY  82  -7.314 -16.881  -0.532
  629    HA3  GLY  82           HA3      GLY  82  -9.026 -16.626  -0.125
  630    H    ARG  83           H        ARG  83  -7.672 -14.132   1.440
  631    HA   ARG  83           HA       ARG  83  -6.832 -12.302  -0.559
  632    HB2  ARG  83           HB2      ARG  83  -8.952 -12.176  -1.471
  633    HB3  ARG  83           HB3      ARG  83  -9.776 -12.495   0.058
  634    HG2  ARG  83           HG2      ARG  83  -8.209  -9.951  -0.166
  635    HG3  ARG  83           HG3      ARG  83  -9.702 -10.088  -1.125
  636    HD2  ARG  83           HD2      ARG  83  -9.457 -10.292   1.901
  637    HD3  ARG  83           HD3      ARG  83 -10.178  -8.988   0.973
  638    HE   ARG  83           HE       ARG  83 -12.050 -10.357   0.428
  639   HH11  ARG  83          HH11      ARG  83  -9.773 -12.021   2.582
  640   HH12  ARG  83          HH12      ARG  83 -10.956 -13.201   3.090
  641   HH21  ARG  83          HH21      ARG  83 -13.561 -11.888   1.147
  642   HH22  ARG  83          HH22      ARG  83 -13.069 -13.133   2.273
  643    H    GLU  84           H        GLU  84  -5.506 -11.066   0.662
  644    HA   GLU  84           HA       GLU  84  -6.727  -9.883   3.074
  645    HB2  GLU  84           HB2      GLU  84  -3.874 -10.896   3.029
  646    HB3  GLU  84           HB3      GLU  84  -4.548  -9.829   4.245
  647    HG2  GLU  84           HG2      GLU  84  -5.501 -12.659   3.716
  648    HG3  GLU  84           HG3      GLU  84  -4.493 -12.117   5.042
  649    H    LEU  85           H        LEU  85  -3.944  -9.754   0.729
  650    HA   LEU  85           HA       LEU  85  -4.370  -6.809   0.529
  651    HB2  LEU  85           HB2      LEU  85  -1.714  -8.300   0.834
  652    HB3  LEU  85           HB3      LEU  85  -1.850  -6.658   0.241
  653    HG   LEU  85           HG       LEU  85  -1.102  -6.483   2.410
  654   HD11  LEU  85          HD11      LEU  85  -2.836  -4.869   1.794
  655   HD12  LEU  85          HD12      LEU  85  -4.088  -5.910   2.516
  656   HD13  LEU  85          HD13      LEU  85  -2.828  -5.194   3.542
  657   HD21  LEU  85          HD21      LEU  85  -2.020  -7.514   4.363
  658   HD22  LEU  85          HD22      LEU  85  -3.392  -8.172   3.451
  659   HD23  LEU  85          HD23      LEU  85  -1.746  -8.774   3.137
  660    H    ARG  86           H        ARG  86  -3.831  -5.879  -1.360
  661    HA   ARG  86           HA       ARG  86  -2.380  -7.316  -3.450
  662    HB2  ARG  86           HB2      ARG  86  -5.233  -6.308  -3.774
  663    HB3  ARG  86           HB3      ARG  86  -4.112  -6.292  -5.131
  664    HG2  ARG  86           HG2      ARG  86  -4.810  -8.767  -3.508
  665    HG3  ARG  86           HG3      ARG  86  -5.518  -8.350  -5.076
  666    HD2  ARG  86           HD2      ARG  86  -2.554  -8.896  -4.559
  667    HD3  ARG  86           HD3      ARG  86  -3.705  -9.996  -5.308
  668    HE   ARG  86           HE       ARG  86  -3.969  -8.394  -7.151
  669   HH11  ARG  86          HH11      ARG  86  -1.081  -7.988  -5.117
  670   HH12  ARG  86          HH12      ARG  86  -0.211  -7.133  -6.361
  671   HH21  ARG  86          HH21      ARG  86  -2.783  -7.297  -8.733
  672   HH22  ARG  86          HH22      ARG  86  -1.156  -6.757  -8.406
  673    H    VAL  87           H        VAL  87  -0.717  -5.979  -3.634
  674    HA   VAL  87           HA       VAL  87  -1.271  -3.044  -3.753
  675    HB   VAL  87           HB       VAL  87   1.108  -4.378  -2.431
  676   HG11  VAL  87          HG11      VAL  87   1.554  -2.129  -1.534
  677   HG12  VAL  87          HG12      VAL  87   1.595  -2.154  -3.311
  678   HG13  VAL  87          HG13      VAL  87   0.180  -1.486  -2.460
  679   HG21  VAL  87          HG21      VAL  87   0.121  -3.578  -0.292
  680   HG22  VAL  87          HG22      VAL  87  -1.379  -3.174  -1.174
  681   HG23  VAL  87          HG23      VAL  87  -0.824  -4.862  -1.063
  682    H    GLN  88           H        GLN  88  -0.310  -1.978  -5.373
  683    HA   GLN  88           HA       GLN  88   2.073  -2.842  -6.740
  684    HB2  GLN  88           HB2      GLN  88   0.138  -4.422  -7.531
  685    HB3  GLN  88           HB3      GLN  88  -0.474  -2.996  -8.388
  686    HG2  GLN  88           HG2      GLN  88   1.593  -2.859  -9.694
  687    HG3  GLN  88           HG3      GLN  88   2.340  -4.133  -8.715
  688   HE21  GLN  88          HE22      GLN  88   1.991  -4.142 -11.616
  689   HE22  GLN  88          HE21      GLN  88   0.949  -5.501 -11.989
  690    H    MET  89           H        MET  89   2.245  -1.441  -8.831
  691    HA   MET  89           HA       MET  89   1.896   1.303  -7.960
  692    HB2  MET  89           HB2      MET  89   3.015  -0.051 -10.442
  693    HB3  MET  89           HB3      MET  89   3.110   1.702 -10.154
  694    HG2  MET  89           HG2      MET  89   4.023  -0.232  -8.014
  695    HG3  MET  89           HG3      MET  89   5.086   0.120  -9.365
  696    HE1  MET  89           HE1      MET  89   6.713   0.711  -7.341
  697    HE2  MET  89           HE2      MET  89   6.529   2.118  -6.267
  698    HE3  MET  89           HE3      MET  89   5.478   0.701  -6.053
  699    H    ALA  90           H        ALA  90   0.501   2.831  -8.731
  700    HA   ALA  90           HA       ALA  90  -1.907   2.000 -10.108
  701    HB1  ALA  90           HB1      ALA  90  -1.814   3.777  -8.391
  702    HB2  ALA  90           HB2      ALA  90  -0.875   4.786  -9.516
  703    HB3  ALA  90           HB3      ALA  90  -2.545   4.314  -9.922
  704    H    ARG  91           H        ARG  91  -2.674   2.974 -12.114
  705    HA   ARG  91           HA       ARG  91  -0.670   4.151 -13.919
  706    HB2  ARG  91           HB2      ARG  91  -0.668   1.640 -14.223
  707    HB3  ARG  91           HB3      ARG  91  -2.367   1.748 -14.714
  708    HG2  ARG  91           HG2      ARG  91  -0.822   1.576 -16.630
  709    HG3  ARG  91           HG3      ARG  91  -1.700   3.108 -16.681
  710    HD2  ARG  91           HD2      ARG  91   0.242   4.281 -15.732
  711    HD3  ARG  91           HD3      ARG  91   1.111   2.739 -15.561
  712    HE   ARG  91           HE       ARG  91   0.299   3.079 -18.278
  713   HH11  ARG  91          HH11      ARG  91   2.597   4.367 -15.927
  714   HH12  ARG  91          HH12      ARG  91   3.769   4.822 -17.139
  715   HH21  ARG  91          HH21      ARG  91   1.842   3.695 -19.850
  716   HH22  ARG  91          HH22      ARG  91   3.345   4.443 -19.354
  717    H    TYR  92           H        TYR  92  -3.240   4.703 -12.329
  718    HA   TYR  92           HA       TYR  92  -4.779   6.027 -14.504
  719    HB2  TYR  92           HB2      TYR  92  -5.821   4.377 -12.211
  720    HB3  TYR  92           HB3      TYR  92  -6.838   5.402 -13.243
  721    HD1  TYR  92           HD2      TYR  92  -5.676   4.773 -15.959
  722    HD2  TYR  92           HD1      TYR  92  -6.649   2.239 -12.623
  723    HE1  TYR  92           HE2      TYR  92  -5.951   2.856 -17.499
  724    HE2  TYR  92           HE1      TYR  92  -6.937   0.323 -14.152
  725    HH   TYR  92           HH       TYR  92  -6.861  -0.404 -16.326
  726    H    GLY  93           H        GLY  93  -6.276   7.758 -13.453
  727    HA2  GLY  93           HA2      GLY  93  -4.732   9.074 -11.249
  728    HA3  GLY  93           HA3      GLY  93  -5.345   9.932 -12.652
  729    H    ARG  94           H        ARG  94  -5.931  10.858 -10.202
  730    HA   ARG  94           HA       ARG  94  -8.242   9.902  -8.907
  731    HB2  ARG  94           HB2      ARG  94  -8.205  11.935  -7.709
  732    HB3  ARG  94           HB3      ARG  94  -6.526  11.594  -8.090
  733    HG2  ARG  94           HG2      ARG  94  -8.323  13.555  -9.586
  734    HG3  ARG  94           HG3      ARG  94  -7.105  13.970  -8.374
  735    HD2  ARG  94           HD2      ARG  94  -5.344  12.970  -9.841
  736    HD3  ARG  94           HD3      ARG  94  -6.591  12.713 -11.090
  737    HE   ARG  94           HE       ARG  94  -6.732  15.415 -10.324
  738   HH11  ARG  94          HH11      ARG  94  -4.410  13.246 -11.894
  739   HH12  ARG  94          HH12      ARG  94  -3.666  14.536 -12.809
  740   HH21  ARG  94          HH21      ARG  94  -5.726  17.062 -11.524
  741   HH22  ARG  94          HH22      ARG  94  -4.409  16.679 -12.608
  742    HA   PRO  95           HA       PRO  95 -11.988  10.515 -10.886
  743    HB2  PRO  95           HB2      PRO  95 -12.310  12.838  -8.967
  744    HB3  PRO  95           HB3      PRO  95 -13.604  11.752  -9.585
  745    HG2  PRO  95           HG2      PRO  95 -12.462  11.138  -7.250
  746    HG3  PRO  95           HG3      PRO  95 -12.559   9.844  -8.481
  747    HD2  PRO  95           HD2      PRO  95 -10.189  11.555  -7.746
  748    HD3  PRO  95           HD3      PRO  95 -10.224   9.816  -8.162
  749    HA   PRO  96           HA       PRO  96 -10.956  13.939 -13.739
  750    HB2  PRO  96           HB2      PRO  96 -11.380  12.575 -16.064
  751    HB3  PRO  96           HB3      PRO  96  -9.863  12.411 -15.119
  752    HG2  PRO  96           HG2      PRO  96 -12.232  10.544 -15.189
  753    HG3  PRO  96           HG3      PRO  96 -10.488  10.144 -15.210
  754    HD2  PRO  96           HD2      PRO  96 -12.095  10.114 -12.933
  755    HD3  PRO  96           HD3      PRO  96 -10.321  10.360 -12.902
  756    H    ASP  97           H        ASP  97 -13.454  11.450 -14.482
  757    HA   ASP  97           HA       ASP  97 -15.669  13.001 -13.652
  758    HB2  ASP  97           HB2      ASP  97 -15.258  14.364 -15.642
  759    HB3  ASP  97           HB3      ASP  97 -15.163  12.901 -16.647
  760    H    SER  98           H        SER  98 -17.012  11.516 -13.077
  761    HA   SER  98           HA       SER  98 -17.793   9.266 -14.815
  762    HB2  SER  98           HB2      SER  98 -16.798   8.734 -11.990
  763    HB3  SER  98           HB3      SER  98 -17.379   7.542 -13.155
  764    HG   SER  98           HG       SER  98 -15.092   7.637 -13.021
  765    H    HIS  99           H        HIS  99 -18.748  11.796 -13.042
  766    HA   HIS  99           HA       HIS  99 -21.035  10.447 -11.758
  767    HB2  HIS  99           HB2      HIS  99 -20.495  11.459  -9.611
  768    HB3  HIS  99           HB3      HIS  99 -19.158  10.433 -10.140
  769    HD2  HIS  99           HD2      HIS  99 -19.307  13.247  -8.186
  770    HE1  HIS  99           HE1      HIS  99 -16.379  14.559 -10.978
  771    HE2  HIS  99           HE2      HIS  99 -17.429  14.992  -8.686
  772    H    HIS 100           H        HIS 100 -20.384  12.561 -13.973
  773    HA   HIS 100           HA       HIS 100 -21.437  15.062 -13.132
  774    HB2  HIS 100           HB2      HIS 100 -21.707  15.486 -15.516
  775    HB3  HIS 100           HB3      HIS 100 -20.165  14.686 -15.214
  776    HD2  HIS 100           HD2      HIS 100 -23.132  14.505 -17.404
  777    HE1  HIS 100           HE1      HIS 100 -21.501  10.583 -17.615
  778    HE2  HIS 100           HE2      HIS 100 -23.170  12.205 -18.655
  779    H    SER 101           H        SER 101 -23.487  16.007 -14.060
  780    HA   SER 101           HA       SER 101 -25.781  14.142 -14.208
  781    HB2  SER 101           HB2      SER 101 -25.540  16.430 -12.206
  782    HB3  SER 101           HB3      SER 101 -27.015  15.496 -12.533
  783    HG   SER 101           HG       SER 101 -25.831  14.724 -10.718
  784    H5'    U 102           H5'        U 102 -13.878  -2.411 -13.385
  785   H5''    U 102          H5''        U 102 -14.641  -1.340 -12.189
  786    H4'    U 102           H4'        U 102 -11.699  -2.158 -12.146
  787    H3'    U 102           H3'        U 102 -13.656  -3.956 -11.654
  788    H2'    U 102           H2'        U 102 -14.991  -2.480 -10.310
  789   HO2'    U 102          HO2'        U 102 -14.584  -4.426  -9.112
  790    H1'    U 102           H1'        U 102 -12.561  -1.684  -8.731
  791    H3     U 102           H3         U 102 -15.174   2.698  -9.271
  792    H5     U 102           H5         U 102 -16.694  -0.261  -6.707
  793    H6     U 102           H6         U 102 -15.086  -1.818  -7.657
  794   HO5'    U 102          HO5'        U 102 -13.089   0.250 -12.787
  795    H5'    G 103           H5'        G 103  -8.660  -3.627  -9.180
  796   H5''    G 103          H5''        G 103 -10.279  -2.964  -8.897
  797    H4'    G 103           H4'        G 103  -8.888  -1.227  -8.309
  798    H3'    G 103           H3'        G 103 -10.202  -0.910 -10.936
  799    H2'    G 103           H2'        G 103  -8.274  -0.255 -11.914
  800   HO2'    G 103          HO2'        G 103  -8.699   2.031 -10.299
  801    H1'    G 103           H1'        G 103  -7.351   0.524  -9.118
  802    H8     G 103           H8         G 103  -5.729   2.367 -10.189
  803    H1     G 103           H1         G 103  -2.564  -2.308 -13.251
  804    H21    G 103           H21        G 103  -3.782  -4.182 -13.228
  805    H22    G 103           H22        G 103  -5.351  -4.241 -12.448
  806    H5'    G 104           H5'        G 104 -12.030   3.142  -9.433
  807   H5''    G 104          H5''        G 104 -10.348   3.696  -9.331
  808    H4'    G 104           H4'        G 104 -12.584   4.382  -7.389
  809    H3'    G 104           H3'        G 104 -11.101   5.959  -9.515
  810    H2'    G 104           H2'        G 104 -11.345   7.896  -8.168
  811   HO2'    G 104          HO2'        G 104 -13.600   7.389  -7.653
  812    H1'    G 104           H1'        G 104 -10.861   6.632  -5.768
  813    H8     G 104           H8         G 104  -9.049   8.494  -5.677
  814    H1     G 104           H1         G 104  -5.871   5.886 -10.605
  815    H21    G 104           H21        G 104  -7.185   4.280 -11.564
  816    H22    G 104           H22        G 104  -8.741   3.875 -10.882
  817    H5'    A 105           H5'        A 105 -15.589   9.188 -10.571
  818   H5''    A 105          H5''        A 105 -14.084   9.891 -10.002
  819    H4'    A 105           H4'        A 105 -15.492  11.137  -8.732
  820    H3'    A 105           H3'        A 105 -14.515   9.041  -7.166
  821    H2'    A 105           H2'        A 105 -16.304   7.711  -6.701
  822   HO2'    A 105          HO2'        A 105 -17.485  10.087  -5.739
  823    H1'    A 105           H1'        A 105 -18.580   9.167  -7.622
  824    H8     A 105           H8         A 105 -15.981   6.611  -8.183
  825    H61    A 105           H61        A 105 -20.020   3.654 -11.853
  826    H62    A 105           H62        A 105 -18.438   3.550 -11.101
  827    H2     A 105           H2         A 105 -21.734   7.579 -10.746
  828    H5'    G 106           H5'        G 106 -16.388  10.394  -3.778
  829   H5''    G 106          H5''        G 106 -17.860  11.388  -3.832
  830    H4'    G 106           H4'        G 106 -17.341  11.421  -1.578
  831    H3'    G 106           H3'        G 106 -17.172  13.808  -2.852
  832    H2'    G 106           H2'        G 106 -14.898  13.965  -3.315
  833   HO2'    G 106          HO2'        G 106 -15.380  15.390  -1.371
  834    H1'    G 106           H1'        G 106 -13.862  12.604  -0.917
  835    H8     G 106           H8         G 106 -13.969  12.720  -4.773
  836    H1     G 106           H1         G 106  -8.833   9.905  -2.163
  837    H21    G 106           H21        G 106  -9.089   9.768   0.028
  838    H22    G 106           H22        G 106 -10.560  10.292   0.828
  839    H5'    U 107           H5'        U 107 -16.453  18.254  -0.820
  840   H5''    U 107          H5''        U 107 -17.887  17.595  -1.602
  841    H4'    U 107           H4'        U 107 -15.025  17.020  -2.533
  842    H3'    U 107           H3'        U 107 -15.992  19.546  -2.566
  843   HO3'    U 107          HO3'        U 107 -15.063  19.798  -4.678
  844    H2'    U 107           H2'        U 107 -18.129  18.799  -3.290
  845   HO2'    U 107          HO2'        U 107 -18.341  19.725  -5.426
  846    H1'    U 107           H1'        U 107 -16.632  17.381  -5.518
  847    H3     U 107           H3         U 107 -20.163  15.602  -7.656
  848    H5     U 107           H5         U 107 -21.687  16.396  -3.817
  849    H6     U 107           H6         U 107 -19.484  17.169  -3.169