*HEADER    RNA BINDING PROTEIN                     25-SEP-07   2JVR              
*TITLE     SEGMENTAL ISOTOPE LABELING OF NPL3P                                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NUCLEOLAR PROTEIN 3;                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RNA RECOGNITION MOTIF 2 (RRM 2) DOMAIN;                    
*COMPND   5 SYNONYM: MITOCHONDRIAL TARGETING SUPPRESSOR 1 PROTEIN,               
*COMPND   6 NUCLEAR POLYADENYLATED RNA-BINDING PROTEIN 1;                        
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;                       
*SOURCE   3 ORGANISM_COMMON: BAKER'S YEAST;                                      
*SOURCE   4 GENE: NOP3, MTS1, NAB1, NPL3;                                        
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21 CODON+ RIL;                           
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET28A+                                    
*KEYWDS    PROTEIN, RNA RECOGNITION MOTIF, NUCLEUS, PHOSPHORYLATION,             
*KEYWDS   2 RIBONUCLEOPROTEIN, RIBOSOME BIOGENESIS, RNA-BINDING, RRNA            
*KEYWDS   3 PROCESSING, RNA BINDING PROTEIN                                      
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    L.SKRISOVSKA, F.H-T.ALLAIN                                            
*REVDAT   1   18-DEC-07 2JVR    0                                                


# Npl3_2RRM protein distance constrain list
#   69 THR   HB     70 GLY  HN       3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 708, 718, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   35 ASN   HN     69 THR  HB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 708, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 THR   HB     57 THR  HN       3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 529, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#   56 THR   HB     74 PHE  HA       4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 771, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#   56 THR   HB     72 LEU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 737, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 THR   HB     72 LEU  HG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 742, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 THR   HB     79 ILE  QG2      3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 850, 851, 852,
 &end
#
#   56 THR   HB     72 LEU  QD1      4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 744, 745, 746,
 &end
#
#   34 LYS   HN     98 THR  HB       4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 169,1163, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#   98 THR   HN     98 THR  HB       3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1159,1163, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#   98 THR   HB     99 VAL  HA       5.40
 &rst
  ixpk= 0, nxpk= 0, iat=1163,1175, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#   35 ASN   HA     98 THR  HB       4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 193,1163, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#   35 ASN   HB2    98 THR  HB       4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 195,1163, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#   97 ILE   QG2    98 THR  HB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1163, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1146,1147,1148,
 &end
#
#   98 THR   HB     99 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1163,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1183,1184,1185,
 &end
#
#   32 THR   HB    102 ASP  HN       5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 142,1228, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#   32 THR   HN     32 THR  HB       3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 142, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#   32 THR   HB     33 MET  HN       4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 152, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   32 THR   HB    100 GLU  HN       4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 142,1189, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#   32 THR   HB     33 MET  HA       4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 154, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#   32 THR   HB     34 LYS  QE       5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 142,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2= 182, 183,
 &end
#
#   32 THR   HB    100 GLU  QG       4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 142,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2=1196,1197,
 &end
#
#   57 THR   HB     58 PHE  HN       4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 543, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#   57 THR   HB     58 PHE  HA       5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 545, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#   57 THR   HB     58 PHE  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 548, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 SER   HB3    43 GLN  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 306, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 SER   HB3    42 TRP  HN       4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 282, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#   41 SER   HB3    44 ASP  HN       4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 323, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#   41 SER   HB3    42 TRP  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 284, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 SER   HB2    44 ASP  HN       5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 323, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#   41 SER   HB2    61 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 591, 592, 593,
 &end
#
#   40 CYS   HA     41 SER  HB2      4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 275, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#   80 LEU   HA     81 VAL  HA       5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 865, 884, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#   81 VAL   HA     84 LEU  HB3      3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 928, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#   81 VAL   HA     84 LEU  HG       4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 930, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#   81 VAL   HA     84 LEU  HB2      4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 927, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#   81 VAL   HA     84 LEU  QD1      3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 884,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 932, 933, 934,
 &end
#
#   81 VAL   HA     83 ALA  HN       4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 913, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#   81 VAL   HA     84 LEU  HA       5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 925, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#   76 SER   HB3    79 ILE  HN       5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 808, 844, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
#   76 SER   HB3    79 ILE  HG13     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 808, 855, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   76 SER   HB3    79 ILE  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 808,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 857, 858, 859,
 &end
#
#   76 SER   HB2    78 GLU  HN       4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 807, 829, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#   76 SER   HB2    79 ILE  HB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 807, 848, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   76 SER   HB3    78 GLU  HN       4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 808, 829, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#   76 SER   HB3    77 GLU  HN       3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 808, 814, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#   76 SER   HB3    77 GLU  HG2      5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 808, 821, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#   76 SER   HB3    78 GLU  HB3      5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 808, 834, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#   76 SER   HB3    78 GLU  HB2      4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 808, 833, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#   76 SER   HB2    79 ILE  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 807, 844, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   76 SER   HB2    77 GLU  HA       5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 807, 816, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#   76 SER   HB2    77 GLU  HG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 807, 821, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 SER   HB3    72 LEU  HA       5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 737, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#   42 TRP   HB3    59 SER  HB3      5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 568, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#   59 SER   HB3    72 LEU  HG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 742, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 LEU   QD1    59 SER  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 344, 345, 346,
 &end
#
#   59 SER   HB2    60 SER  HN       4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 574, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#   59 SER   HB2    73 GLU  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 754, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#   42 TRP   HZ3    59 SER  HB2      4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 567, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#   59 SER   HB2    72 LEU  HA       4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 737, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#   59 SER   HB2    72 LEU  HG       4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 742, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#   59 SER   HB2    72 LEU  QD2      4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 748, 749, 750,
 &end
#
#   59 SER   HB2    72 LEU  QD1      3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 744, 745, 746,
 &end
#
#   45 LEU   QD1    59 SER  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 344, 345, 346,
 &end
#
#   59 SER   HB3    73 GLU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 754, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 SER   QB     71 ALA  QB       4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 578, 579,
 igr2= 729, 730, 731,
 &end
#
#   94 GLY   HN     95 SER  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1106,1117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   92 PHE   HN     95 SER  HB3      5.20
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1118, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   95 SER   HB3    96 VAL  HN       3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1118,1124, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#   95 SER   HN     95 SER  HB3      3.74
 &rst
  ixpk= 0, nxpk= 0, iat=1113,1118, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#   92 PHE   HB2    95 SER  HB3      5.41
 &rst
  ixpk= 0, nxpk= 0, iat=1066,1118, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#   38 GLU   QG     95 SER  HB3      4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1118, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 245, 246,
 &end
#
#   95 SER   HB3    97 ILE  QG2      4.72
 &rst
  ixpk= 0, nxpk= 0, iat=1118,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1146,1147,1148,
 &end
#
#   95 SER   HB3    96 VAL  QG1      5.43
 &rst
  ixpk= 0, nxpk= 0, iat=1118,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr2=1130,1131,1132,
 &end
#
#   92 PHE   HB2    95 SER  HB2      5.16
 &rst
  ixpk= 0, nxpk= 0, iat=1066,1117, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#   93 ARG   QB     95 SER  HB2      5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1117, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1=1086,1087,
 &end
#
#   95 SER   HB2    97 ILE  HG12     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1117,1150, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   95 SER   HB2    96 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1117,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1130,1131,1132,
 &end
#
#   79 ILE   HA     83 ALA  HN       4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 913, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#   79 ILE   HA     81 VAL  HN       5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 882, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#   79 ILE   HA     82 GLU  HA       5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 900, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#   79 ILE   HA     80 LEU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 865, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   79 ILE   HA     82 GLU  HG3      4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 906, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#   79 ILE   HA     82 GLU  HB3      3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 903, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#   78 GLU   HB3    79 ILE  HA       5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 834, 846, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   79 ILE   HA     82 GLU  HB2      3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 902, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#   79 ILE   HA     79 ILE  HG13     3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 855, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#   79 ILE   HA     79 ILE  QG2      3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 846,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 850, 851, 852,
 &end
#
#   79 ILE   HA     79 ILE  QD1      4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 846,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 857, 858, 859,
 &end
#
#   96 VAL   HA     97 ILE  QG2      4.88
 &rst
  ixpk= 0, nxpk= 0, iat=1126,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2=1146,1147,1148,
 &end
#
#   96 VAL   HA     97 ILE  HG12     4.24
 &rst
  ixpk= 0, nxpk= 0, iat=1126,1150, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#   61 VAL   HA     70 GLY  HN       5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 587, 718, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#   61 VAL   HA     70 GLY  QA       3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 720, 721,
 &end
#
#   61 VAL   HA     61 VAL  QG2      4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 595, 596, 597,
 &end
#
#   61 VAL   HA     71 ALA  HN       4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 587, 725, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#   31 ILE   QD1    32 THR  HA       5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 132, 133, 134,
 &end
#
#   31 ILE   HA     32 THR  HA       4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 140, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#   31 ILE   HB     32 THR  HA       4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 123, 140, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#   31 ILE   HG13   32 THR  HA       4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 140, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#   56 THR   HA     57 THR  HA       4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 531, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#   57 THR   HA     57 THR  QG2      3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 535, 536, 537,
 &end
#
#   53 SER   HN     53 SER  HB3      4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 470, 475, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#   53 SER   HB3    54 LEU  HN       4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 481, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#   53 SER   HB2    86 ARG  HG2      5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 964, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#   53 SER   HN     53 SER  HB2      4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 470, 474, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#   32 THR   HA     71 ALA  HN       5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 725, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#   32 THR   HA     72 LEU  HN       4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 735, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#   90 ILE   HA     97 ILE  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1030,1140, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#   90 ILE   HA     90 ILE  HG13     3.82
 &rst
  ixpk= 0, nxpk= 0, iat=1030,1039, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#   90 ILE   HA     90 ILE  HG12     4.10
 &rst
  ixpk= 0, nxpk= 0, iat=1030,1038, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   90 ILE   HA     90 ILE  QG2      3.44
 &rst
  ixpk= 0, nxpk= 0, iat=1030,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2=1034,1035,1036,
 &end
#
#   90 ILE   HA     92 PHE  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1030,1062, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   78 GLU   HA     80 LEU  HN       5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 831, 863, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#   78 GLU   HA     78 GLU  HG3      3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 831, 837, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#   78 GLU   HA     81 VAL  QG2      3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 892, 893, 894,
 &end
#
#   35 ASN   HN     69 THR  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 706, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 LYS   QG     69 THR  HA       5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 176, 177,
 &end
#
#   34 LYS   HA     69 THR  HA       3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 706, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#   34 LYS   HB2    69 THR  HA       4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 706, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#   89 ASN   HN     98 THR  HA       3.51
 &rst
  ixpk= 0, nxpk= 0, iat=1014,1161, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#   90 ILE   HN     98 THR  HA       5.20
 &rst
  ixpk= 0, nxpk= 0, iat=1028,1161, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   98 THR   HA     99 VAL  HA       5.12
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1175, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#   89 ASN   HA     98 THR  HA       4.35
 &rst
  ixpk= 0, nxpk= 0, iat=1016,1161, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#   89 ASN   HB2    98 THR  HA       4.77
 &rst
  ixpk= 0, nxpk= 0, iat=1018,1161, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#   98 THR   HA     99 VAL  QG2      4.32
 &rst
  ixpk= 0, nxpk= 0, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2=1183,1184,1185,
 &end
#
#   42 TRP   HA     61 VAL  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 585, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 TRP   HA     44 ASP  HN       4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 323, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#   42 TRP   HA     46 LYS  HN       5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 354, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#   42 TRP   HA     45 LEU  HN       4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 335, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#   42 TRP   HA     42 TRP  HZ3      5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 299, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#   42 TRP   HA     45 LEU  HB3      4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 340, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#   42 TRP   HA     45 LEU  HB2      4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 339, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#   50 ARG   HA     54 LEU  HB2      5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 485, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#   42 TRP   HA     61 VAL  QG2      3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 595, 596, 597,
 &end
#
#   42 TRP   HA     45 LEU  QD1      5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2= 344, 345, 346,
 &end
#
#   46 LYS   HA     50 ARG  HD3      5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 428, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#   40 CYS   HA     41 SER  HN       3.07
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 271, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,  &end
#
#   40 CYS   HA     41 SER  HA       5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 273, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#   40 CYS   HA     44 ASP  HB3      4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 328, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   40 CYS   HA     61 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 591, 592, 593,
 &end
#
#   50 ARG   HA     53 SER  HN       4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 470, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#   50 ARG   HA     54 LEU  HN       3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 481, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#   50 ARG   HA     50 ARG  HG3      3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 425, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   50 ARG   HA     50 ARG  HG2      3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 424, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#   46 LYS   HA     50 ARG  HN       4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 417, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#   46 LYS   HA     49 ALA  HN       4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 407, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#   46 LYS   HA     47 ASP  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 LYS   HA     46 LYS  HD3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 365, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 LYS   HA     46 LYS  HD2      5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 364, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#   46 LYS   HA     50 ARG  HG3      4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 425, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#   46 LYS   HA     49 ALA  QB       3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 411, 412, 413,
 &end
#
#   46 LYS   HA     46 LYS  HG2      3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 361, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#   40 CYS   HA     44 ASP  HB2      4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 327, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#   66 PHE   HA     67 ASP  HN       3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 667, 685, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 PHE   HA     66 PHE  HD       3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 667,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 673, 681,
 &end
#
#   31 ILE   HA     32 THR  HN       3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 138, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
#   31 ILE   HA    100 GLU  HN       4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 121,1189, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#   31 ILE   HA    102 ASP  HB3      4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 121,1233, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#   31 ILE   HA    102 ASP  HB2      4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 121,1232, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#   31 ILE   HA     31 ILE  QG2      3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2= 125, 126, 127,
 &end
#
#   31 ILE   HA    103 ASP  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 121,1240, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 THR   HA     58 PHE  HN       4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 543, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#   56 THR   HA     74 PHE  HB3      5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 774, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#   55 GLU   HB3    56 THR  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 517, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 THR   HA     79 ILE  HG12     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 854, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 THR   HA     79 ILE  QG2      3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 850, 851, 852,
 &end
#
#   56 THR   HA     79 ILE  QD1      4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 857, 858, 859,
 &end
#
#   81 VAL   HN     82 GLU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 882, 900, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   82 GLU   HA     84 LEU  HN       4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 900, 923, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#   53 SER   HA     53 SER  HB3      2.95
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 475, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
#   82 GLU   HA     86 ARG  QD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 900,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 967, 968,
 &end
#
#   82 GLU   HA     82 GLU  HG3      3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 900, 906, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#   80 LEU   HA     84 LEU  HN       5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 865, 923, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#   80 LEU   HA     82 GLU  HN       5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 865, 898, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#   74 PHE   HB2    80 LEU  HA       5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 773, 865, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
#   51 GLU   HA     51 GLU  HG2      3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 448, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#   48 LEU   QD2    51 GLU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 401, 402, 403,
 &end
#
#   32 THR   HN     99 VAL  HA       5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 138,1175, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#   33 MET   HN     99 VAL  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 152,1175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   98 THR   HN     99 VAL  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1159,1175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 MET   HA     99 VAL  HA       3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 154,1175, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#   33 MET   HB2    99 VAL  HA       5.42
 &rst
  ixpk= 0, nxpk= 0, iat= 156,1175, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#   99 VAL   HA     99 VAL  QG1      3.67
 &rst
  ixpk= 0, nxpk= 0, iat=1175,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1179,1180,1181,
 &end
#
#   86 ARG   HA     88 ASN  HN       4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 959,1000, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#   86 ARG   HA     87 LEU  HA       4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 959, 983, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#   86 ARG   HA     86 ARG  HG3      3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 959, 965, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#   58 PHE   HA     59 SER  HN       3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 563, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#   85 GLU   HA     88 ASN  HB3      4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 944,1005, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#   85 GLU   HA     85 GLU  HG3      3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 944, 950, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#   85 GLU   HA     85 GLU  QB       2.93
 &rst
  ixpk= 0, nxpk= 0, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr2= 946, 947,
 &end
#
#   84 LEU   HB2    85 GLU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 927, 944, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   77 GLU   HA     81 VAL  HN       4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 816, 882, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   29 TYR   HD     77 GLU  HA       4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=  82,  91,
 &end
#
#   29 TYR   HE     77 GLU  HA       4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1=  84,  89,
 &end
#
#   76 SER   HB3    77 GLU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 808, 816, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   77 GLU   HA     80 LEU  HB3      3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 816, 868, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#   77 GLU   HA     77 GLU  HG2      3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 816, 821, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#   77 GLU   HA     80 LEU  HB2      3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 816, 867, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#   77 GLU   HA     80 LEU  QD2      4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 816,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 876, 877, 878,
 &end
#
#  101 ARG   HA    103 ASP  HN       5.31
 &rst
  ixpk= 0, nxpk= 0, iat=1206,1240, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#  100 GLU   HN    101 ARG  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1189,1206, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 ILE   HA    101 ARG  HA       3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 121,1206, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  101 ARG   HA    101 ARG  HD2      5.46
 &rst
  ixpk= 0, nxpk= 0, iat=1206,1214, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
#  101 ARG   HA    102 ASP  HB3      4.82
 &rst
  ixpk= 0, nxpk= 0, iat=1206,1233, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#   31 ILE   QG2   101 ARG  HA       3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1206, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 125, 126, 127,
 &end
#
#   84 LEU   QD2   101 ARG  HA       4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1206, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 936, 937, 938,
 &end
#
#  101 ARG   HA    102 ASP  HB2      5.11
 &rst
  ixpk= 0, nxpk= 0, iat=1206,1232, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
#   84 LEU   HN     85 GLU  HA       5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 923, 944, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#   38 GLU   HA     40 CYS  HN       4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 260, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#   38 GLU   HA     39 GLY  HA2      4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 255, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#   46 LYS   HN     47 ASP  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ASP   HA     48 LEU  HA       5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 390, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#   47 ASP   HA     50 ARG  HD2      4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 427, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#   47 ASP   HA     50 ARG  QB       3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 421, 422,
 &end
#
#   47 ASP   HA     49 ALA  QB       4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 411, 412, 413,
 &end
#
#   44 ASP   HA     45 LEU  HG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 342, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 LEU   HA     51 GLU  HN       4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 441, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   48 LEU   HA     52 ASN  HND2     5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 466, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#   47 ASP   HB3    48 LEU  HA       5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 390, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#   48 LEU   HA     51 GLU  HG2      4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 448, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#   48 LEU   HA     51 GLU  HB3      4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 446, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#   48 LEU   HA     48 LEU  QD2      3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 401, 402, 403,
 &end
#
#   48 LEU   HA     48 LEU  QD1      4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 397, 398, 399,
 &end
#
#   48 LEU   HA     50 ARG  HN       5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 417, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#   47 ASP   HN     48 LEU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 390, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 LEU   HA     52 ASN  HN       5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 456, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#   48 LEU   HA     52 ASN  HND1     4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 465, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#   47 ASP   HB2    48 LEU  HA       5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 390, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#   84 LEU   HA     86 ARG  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 925, 957, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   84 LEU   HA     87 LEU  HN       5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 925, 981, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#   84 LEU   HA     88 ASN  HN       5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 925,1000, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   84 LEU   HA     84 LEU  HG       3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 925, 930, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#   84 LEU   HA     84 LEU  QD1      3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 925,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 932, 933, 934,
 &end
#
#   84 LEU   HA     84 LEU  QD2      3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 925,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2= 936, 937, 938,
 &end
#
#   84 LEU   HA     85 GLU  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 925,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 946, 947,
 &end
#
#   38 GLU   HA     40 CYS  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 262, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 GLU   HA     39 GLY  HA3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 256, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ASP   HA     50 ARG  HN       4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 417, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   46 LYS   HD3    47 ASP  HA       5.44
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 378, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
#   47 ASP   HA     50 ARG  HG3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 425, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ASP   HA     92 PHE  HZ       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 325,1074, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ASP   HA     47 ASP  HN       4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 376, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   44 ASP   HA     48 LEU  HN       4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 388, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   44 ASP   HA     47 ASP  HB3      3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 381, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#   45 LEU   HA     47 ASP  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 376, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 LEU   HA     48 LEU  HN       4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 388, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#   45 LEU   HA     47 ASP  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 381, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 LEU   HA     45 LEU  HG       3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 342, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#   45 LEU   HA     45 LEU  QD1      4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 344, 345, 346,
 &end
#
#   45 LEU   HA     48 LEU  QD1      4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 397, 398, 399,
 &end
#
#   44 ASP   HA     45 LEU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 GLU   HA     55 GLU  HG3      3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 508, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#   55 GLU   HA     79 ILE  QD1      5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr2= 857, 858, 859,
 &end
#
#   92 PHE   HD     93 ARG  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1084, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1070,1078,
 &end
#
#   93 ARG   HA     95 SER  HN       5.27
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1113, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#   92 PHE   HA     93 ARG  HA       4.53
 &rst
  ixpk= 0, nxpk= 0, iat=1064,1084, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#   93 ARG   HA     94 GLY  HA3      5.48
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1109, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#   91 GLU   HG2    93 ARG  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1054,1084, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 SER   HA     71 ALA  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 725, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 SER   HA     73 GLU  HN       4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 754, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#   41 SER   HA     44 ASP  HN       5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 273, 323, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   41 SER   HA     45 LEU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 273, 335, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 SER   HA     42 TRP  HB2      5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 273, 286, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#   41 SER   HA     61 VAL  HB       4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 273, 589, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#   41 SER   HA     61 VAL  QG1      4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 591, 592, 593,
 &end
#
#   41 SER   HA     61 VAL  QG2      4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 595, 596, 597,
 &end
#
#   59 SER   HA     72 LEU  HA       3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 737, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#   59 SER   HA     72 LEU  QD1      3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 744, 745, 746,
 &end
#
#   59 SER   HA     72 LEU  HG       5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 742, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#   76 SER   HA     77 GLU  HB3      4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 805, 819, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#   49 ALA   HA     51 GLU  HN       5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 441, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
#   49 ALA   HA     52 ASN  HND2     4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 466, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#   49 ALA   HA     52 ASN  HN       4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 456, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#   49 ALA   HA     52 ASN  HND1     5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 465, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#   48 LEU   HA     49 ALA  HA       4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 409, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   49 ALA   HA     54 LEU  HB3      4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 486, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#   49 ALA   HA     54 LEU  HB2      3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 485, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#   49 ALA   HA     87 LEU  QD1      4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 409,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 990, 991, 992,
 &end
#
#   48 LEU   QD1    49 ALA  HA       5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 409, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 397, 398, 399,
 &end
#
#   92 PHE   HA     93 ARG  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1064,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1086,1087,
 &end
#
#   76 SER   HA     78 GLU  HN       4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 805, 829, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#   76 SER   HA     77 GLU  HA       4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 805, 816, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#   76 SER   HA     77 GLU  HG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 805, 821, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 LYS   HB2    76 SER  HA       5.45
 &rst
  ixpk= 0, nxpk= 0, iat=  32, 805, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#   26 ALA   QB     27 LYS  HA       4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  30, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=  22,  23,  24,
 &end
#
#   27 LYS   HA     27 LYS  QG       3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2=  35,  36,
 &end
#
#   57 THR   HN     74 PHE  HA       4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 771, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#   58 PHE   HD     74 PHE  HA       5.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 771, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 551, 559,
 &end
#
#   74 PHE   HA     79 ILE  HB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 771, 848, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 THR   QG2    74 PHE  HA       4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 771, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 535, 536, 537,
 &end
#
#   92 PHE   HA     92 PHE  HD       3.68
 &rst
  ixpk= 0, nxpk= 0, iat=1064,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2=1070,1078,
 &end
#
#   48 LEU   HG     92 PHE  HA       4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 395,1064, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#   83 ALA   HA     87 LEU  HN       4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 981, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#   83 ALA   HA     85 GLU  HN       5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 942, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
#   83 ALA   HA     86 ARG  HA       5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 959, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#   82 GLU   HB3    83 ALA  HA       5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 903, 915, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#   83 ALA   HA     86 ARG  HB3      3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 962, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#   83 ALA   HA     86 ARG  HB2      3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 961, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#   83 ALA   HA     87 LEU  HG       4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 988, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
# 040507 4.09-4.60, 4.59-5.10
#
#   54 LEU   QD1    83 ALA  HA       4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 490, 491, 492,
 &end
#
#   83 ALA   HA     87 LEU  QD1      5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2= 990, 991, 992,
 &end
#
#   34 LYS   HA     34 LYS  QG       3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 171,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 176, 177,
 &end
#
#   30 ARG   HA     74 PHE  HN       4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 769, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#   30 ARG   HA     30 ARG  QD       5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 105, 106,
 &end
#
#   29 TYR   HB2    30 ARG  HA       5.25
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  97, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#   30 ARG   HA     73 GLU  HB2      3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 758, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#   30 ARG   HA     31 ILE  QG2      4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 125, 126, 127,
 &end
#
#   30 ARG   HA     72 LEU  HN       5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 735, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#   89 ASN   HA     98 THR  HB       5.35
 &rst
  ixpk= 0, nxpk= 0, iat=1016,1163, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#   99 VAL   HA    100 GLU  HA       4.88
 &rst
  ixpk= 0, nxpk= 0, iat=1175,1191, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#   84 LEU   HB2   100 GLU  HA       4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 927,1191, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#   84 LEU   QD2   100 GLU  HA       3.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 936, 937, 938,
 &end
#
#   88 ASN   HA     89 ASN  HN       3.16
 &rst
  ixpk= 0, nxpk= 0, iat=1002,1014, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
#   88 ASN   HA     99 VAL  HN       3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1002,1173, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#   88 ASN   HA     88 ASN  HND2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1002,1010, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88 ASN   HA     98 THR  HA       3.83
 &rst
  ixpk= 0, nxpk= 0, iat=1002,1161, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#   87 LEU   HB3    88 ASN  HA       5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 986,1002, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   88 ASN   HA     98 THR  QG2      5.15
 &rst
  ixpk= 0, nxpk= 0, iat=1002,  -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr2=1165,1166,1167,
 &end
#
#   88 ASN   HA     99 VAL  QG2      3.67
 &rst
  ixpk= 0, nxpk= 0, iat=1002,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1183,1184,1185,
 &end
#
#   88 ASN   HA     88 ASN  HND1     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1002,1009, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88 ASN   HA     89 ASN  HA       4.27
 &rst
  ixpk= 0, nxpk= 0, iat=1002,1016, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#   87 LEU   HA     90 ILE  QG2      3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 983,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2=1034,1035,1036,
 &end
#
#   87 LEU   HA     87 LEU  QD1      3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 983,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 990, 991, 992,
 &end
#
#   28 ARG   HA     29 TYR  HD       4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=  82,  91,
 &end
#
#   28 ARG   HA     29 TYR  HB3      4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  79, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#   28 ARG   HA     28 ARG  QD       4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2=  60,  61,
 &end
#
#   31 ILE   HN     73 GLU  HA       4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 119, 756, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#   58 PHE   HD     73 GLU  HA       5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1= 551, 559,
 &end
#
#   30 ARG   HA     73 GLU  HA       3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 756, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#   30 ARG   HB3    73 GLU  HA       5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 100, 756, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#   72 LEU   HB2    73 GLU  HA       4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 739, 756, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#   33 MET   HA     98 THR  HN       4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 154,1159, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#   33 MET   HA     33 MET  HG2      4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 159, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#   33 MET   HA     34 LYS  QG       5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 176, 177,
 &end
#
#   33 MET   HA     99 VAL  QG1      3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=1179,1180,1181,
 &end
#
#   86 ARG   HN     87 LEU  HA       5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 957, 983, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#   35 ASN   HA     98 THR  HN       5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 193,1159, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#   72 LEU   HA     72 LEU  QD1      3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 737,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2= 744, 745, 746,
 &end
#
#   65 ASP   HA     66 PHE  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 673, 681,
 &end
#
#   72 LEU   HA     72 LEU  HG       4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 737, 742, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  102 ASP   HA    103 ASP  HN       3.55
 &rst
  ixpk= 0, nxpk= 0, iat=1230,1240, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#   70 GLY   HN     71 ALA  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 718, 727, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 LEU   QD1    71 ALA  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 727, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 344, 345, 346,
 &end
#
#   31 ILE   HN     71 ALA  HA       4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 119, 727, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#   33 MET   HN     71 ALA  HA       4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 727, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#   31 ILE   HA     71 ALA  HA       5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 727, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 THR   HA     71 ALA  HA       3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 727, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#   32 THR   HB     71 ALA  HA       5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 727, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
#   70 GLY   QA     71 ALA  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 727, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 720, 721,
 &end
#
#   33 MET   HG3    71 ALA  HA       4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 727, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#   31 ILE   HB     71 ALA  HA       5.42
 &rst
  ixpk= 0, nxpk= 0, iat= 123, 727, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#   31 ILE   HG13   71 ALA  HA       5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 727, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#   31 ILE   QD1    71 ALA  HA       5.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 727, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 132, 133, 134,
 &end
#
#   59 SER   HA     71 ALA  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 727, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  101 ARG   HB2   104 ASN  HA       4.98
 &rst
  ixpk= 0, nxpk= 0, iat=1208,1254, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  103 ASP   HA    104 ASN  HA       4.91
 &rst
  ixpk= 0, nxpk= 0, iat=1242,1254, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#   31 ILE   HN     72 LEU  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 119, 740, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 TYR   HE     72 LEU  HB3      4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=  84,  89,
 &end
#
#   71 ALA   HA     72 LEU  HB3      5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 740, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#   31 ILE   HG13   72 LEU  HB3      5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 740, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#   54 LEU   QD1    72 LEU  HB2      5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 490, 491, 492,
 &end
#
#   29 TYR   HE     72 LEU  HB2      4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1=  84,  89,
 &end
#
#   59 SER   HA     72 LEU  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 739, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 ILE   HG13   72 LEU  HB2      5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 739, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#   67 ASP   HN     68 GLY  HA3      5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 685, 700, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#   66 PHE   HE     68 GLY  HA3      4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 675, 679,
 &end
#
#   68 GLY   HA3    69 THR  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 700,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 710, 711, 712,
 &end
#
#   62 ASN   HN     68 GLY  HA3      4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 601, 700, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#   62 ASN   HA     68 GLY  HA3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 603, 700, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 ASP   HB3    68 GLY  HA3      5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 658, 700, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#   62 ASN   HN     68 GLY  HA2      5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 601, 699, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 ASP   HN     68 GLY  HA2      5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 685, 699, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#   68 GLY   HA2    69 THR  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 710, 711, 712,
 &end
#
#   61 VAL   QG1    68 GLY  HA2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 591, 592, 593,
 &end
#
#   60 SER   HN     70 GLY  QA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 720, 721,
 &end
#
#   33 MET   HB3    70 GLY  QA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 720, 721,
 &end
#
#   91 GLU   HG3    94 GLY  HA3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1055,1109, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   91 GLU   HG2    94 GLY  HA3      4.93
 &rst
  ixpk= 0, nxpk= 0, iat=1054,1109, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#   38 GLU   QB     39 GLY  HA3      5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 242, 243,
 &end
#
#   30 ARG   QD     31 ILE  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 105, 106,
 igr2= 132, 133, 134,
 &end
#
#  101 ARG   HN    101 ARG  HD2      5.33
 &rst
  ixpk= 0, nxpk= 0, iat=1204,1214, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  101 ARG   HB3   101 ARG  HD2      4.06
 &rst
  ixpk= 0, nxpk= 0, iat=1209,1214, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#   84 LEU   QD2   101 ARG  HD2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1214, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 936, 937, 938,
 &end
#
#   86 ARG   HN     86 ARG  QD       5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 967, 968,
 &end
#
#   82 GLU   HG3    86 ARG  QD       4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 906,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 967, 968,
 &end
#
#   86 ARG   HB2    86 ARG  QD       3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 961,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 967, 968,
 &end
#
#   86 ARG   QD     87 LEU  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 967, 968,
 igr2= 990, 991, 992,
 &end
#
#   86 ARG   HA     86 ARG  QD       4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 959,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 967, 968,
 &end
#
#   85 GLU   QB     86 ARG  QD       4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr1= 946, 947,
 igr2= 967, 968,
 &end
#
#   83 ALA   QB     86 ARG  QD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 917, 918, 919,
 igr2= 967, 968,
 &end
#
#   50 ARG   HD3    51 GLU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ASP   HA     50 ARG  HD3      5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 428, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#   50 ARG   QB     50 ARG  HD3      3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 421, 422,
 &end
#
#   50 ARG   QB     50 ARG  HD2      4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1= 421, 422,
 &end
#
#   25 PRO   QD     28 ARG  QD       3.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1=   5,   6,
 igr2=  60,  61,
 &end
#
#   25 PRO   HA     28 ARG  QD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  14,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  60,  61,
 &end
#
#   54 LEU   HB3    55 GLU  HN       5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 486, 500, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#   54 LEU   HN     54 LEU  HB3      4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 486, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#   49 ALA   QB     54 LEU  HB3      4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 486, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 411, 412, 413,
 &end
#
#   49 ALA   QB     54 LEU  HB2      4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 411, 412, 413,
 &end
#
#   50 ARG   HN     50 ARG  HD3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 428, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 PHE   HB3    72 LEU  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 548,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 744, 745, 746,
 &end
#
#   86 ARG   HN     87 LEU  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 957, 986, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   83 ALA   HA     87 LEU  HB3      5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 986, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#   87 LEU   HB3    99 VAL  QG1      4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 986,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2=1179,1180,1181,
 &end
#
#   48 LEU   QD1    87 LEU  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 397, 398, 399,
 &end
#
#   87 LEU   HB2    88 ASN  HN       5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 985,1000, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
#   87 LEU   HB2    87 LEU  QD2      4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 985,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 994, 995, 996,
 &end
#
#   27 LYS   QE     29 TYR  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  41,  42,
 igr2=  82,  91,
 &end
#
#   27 LYS   QE     77 GLU  HA       4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1=  41,  42,
 &end
#
#   27 LYS   QE     29 TYR  HB3      3.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  79, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1=  41,  42,
 &end
#
#   27 LYS   HB2    27 LYS  QE       4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=  41,  42,
 &end
#
#   27 LYS   QG     27 LYS  QE       3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1=  35,  36,
 igr2=  41,  42,
 &end
#
#   34 LYS   HA     34 LYS  QE       5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 171,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 182, 183,
 &end
#
#   34 LYS   QG     34 LYS  QE       3.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 176, 177,
 igr2= 182, 183,
 &end
#
#   58 PHE   HB2    73 GLU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 754, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   74 PHE   HB3    80 LEU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 863, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 TYR   HD     74 PHE  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  82,  91,
 &end
#
#   74 PHE   HB3    76 SER  HN       4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 803, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#   73 GLU   QG     74 PHE  HB3      5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 761, 762,
 &end
#
#   74 PHE   HB3    79 ILE  HB       4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 848, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#   74 PHE   HB3    79 ILE  QG2      4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 850, 851, 852,
 &end
#
#   74 PHE   HB3    79 ILE  QD1      4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 857, 858, 859,
 &end
#
#  103 ASP   HB3   104 ASN  HN       5.45
 &rst
  ixpk= 0, nxpk= 0, iat=1245,1252, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#   29 TYR   HD     74 PHE  HB2      5.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 773, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=  82,  91,
 &end
#
#   74 PHE   HB2    79 ILE  HB       4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 773, 848, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#   74 PHE   HB2    79 ILE  QG2      4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 850, 851, 852,
 &end
#
#   74 PHE   HB2    79 ILE  QD1      4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2= 857, 858, 859,
 &end
#
#   84 LEU   HN     84 LEU  HB3      3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 923, 928, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#   84 LEU   HB3    85 GLU  HN       4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 928, 942, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#   84 LEU   HB3    85 GLU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 928, 944, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 THR   HN    102 ASP  HB3      5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 138,1233, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#  102 ASP   HN    102 ASP  HB3      4.11
 &rst
  ixpk= 0, nxpk= 0, iat=1228,1233, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#   32 THR   HB    102 ASP  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 142,1233, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ARG   HB3   102 ASP  HB3      4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 100,1233, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#   32 THR   QG2   102 ASP  HB3      5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1233, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 144, 145, 146,
 &end
#
#   31 ILE   QG2   102 ASP  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1233, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 125, 126, 127,
 &end
#
#   32 THR   HB    102 ASP  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 142,1232, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 ILE   QG2   102 ASP  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1232, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 125, 126, 127,
 &end
#
#   84 LEU   HB3    84 LEU  QD1      3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 928,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 932, 933, 934,
 &end
#
#   44 ASP   HN     45 LEU  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 340, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 LEU   HB3    46 LYS  HN       4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 354, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#   45 LEU   HB3    61 VAL  QG2      4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 340,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 595, 596, 597,
 &end
#
#   31 ILE   QG2    80 LEU  HB2      3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 867, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 125, 126, 127,
 &end
#
#   84 LEU   HB2    84 LEU  QD1      3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 932, 933, 934,
 &end
#
#   44 ASP   HB3    46 LYS  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 354, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ASP   HB3    92 PHE  HZ       4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 328,1074, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#   40 CYS   HB2    44 ASP  HB3      5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 328, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#   44 ASP   HB3    45 LEU  HG       5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 342, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#   92 PHE   HN     92 PHE  HB3      4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1067, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#   92 PHE   HB3    93 ARG  HN       5.27
 &rst
  ixpk= 0, nxpk= 0, iat=1067,1082, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#   92 PHE   HB3    97 ILE  QG2      4.71
 &rst
  ixpk= 0, nxpk= 0, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1146,1147,1148,
 &end
#
#   90 ILE   QD1    92 PHE  HB3      5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1067, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1041,1042,1043,
 &end
#
#   48 LEU   QD1    92 PHE  HB3      5.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1067, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 397, 398, 399,
 &end
#
#   92 PHE   HB2    93 ARG  HN       5.17
 &rst
  ixpk= 0, nxpk= 0, iat=1066,1082, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#   92 PHE   HB2    96 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1130,1131,1132,
 &end
#
#   92 PHE   HB2    97 ILE  HB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1066,1144, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 SER   HN     44 ASP  HB2      4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 327, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#   44 ASP   HB2    92 PHE  HE       4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2=1072,1076,
 &end
#
#   44 ASP   HB2    92 PHE  HZ       4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 327,1074, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#   44 ASP   HB2    45 LEU  HG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 342, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  102 ASP   HN    102 ASP  HB2      4.12
 &rst
  ixpk= 0, nxpk= 0, iat=1228,1232, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  102 ASP   HB2   103 ASP  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1232,1240, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   80 LEU   HB3    81 VAL  HN       4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 868, 882, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#   77 GLU   HB3    80 LEU  HB3      4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 819, 868, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   79 ILE   HN     80 LEU  HB3      5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 844, 868, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#   47 ASP   HN     48 LEU  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 393, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 LEU   HB3    92 PHE  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1072,1076,
 &end
#
#   45 LEU   HA     48 LEU  HB3      4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 393, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#   48 LEU   HB3    97 ILE  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1153,1154,1155,
 &end
#
#   48 LEU   HB3    48 LEU  QD1      4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 397, 398, 399,
 &end
#
#   80 LEU   HB2    81 VAL  HN       4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 867, 882, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#   29 TYR   HD     80 LEU  HB2      5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 867, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1=  82,  91,
 &end
#
#   74 PHE   HB2    80 LEU  HB2      5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 773, 867, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#   80 LEU   HB2    80 LEU  QD2      3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 867,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 876, 877, 878,
 &end
#
#   48 LEU   HB2    92 PHE  HZ       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 392,1074, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 LEU   HA     48 LEU  HB2      4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 392, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#   48 LEU   HB2    97 ILE  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1153,1154,1155,
 &end
#
#   47 ASP   HB3    48 LEU  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 392, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 ILE   HB     80 LEU  QD1      5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2= 872, 873, 874,
 &end
#
#   31 ILE   HB     31 ILE  QD1      3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 132, 133, 134,
 &end
#
#   31 ILE   HB    102 ASP  HN       5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 123,1228, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#   31 ILE   HB     99 VAL  HA       5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 123,1175, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#   31 ILE   HB    101 ARG  HA       4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 123,1206, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#   31 ILE   HB     32 THR  HB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 123, 142, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 ASP   HB3    68 GLY  HA2      4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 658, 699, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#   64 ARG   HA     65 ASP  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 631, 657, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 ASP   HB2    68 GLY  HA3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 657, 700, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 ASP   HB2    68 GLY  HA2      4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 657, 699, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#   49 ALA   HA     52 ASN  HB3      4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 461, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#   52 ASN   HB3    86 ARG  HG2      4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 461, 964, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#   49 ALA   QB     52 ASN  HB3      4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 461, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 411, 412, 413,
 &end
#
#   52 ASN   HB3    87 LEU  QD2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 461,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 994, 995, 996,
 &end
#
#   52 ASN   HB3    87 LEU  QD1      4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 461,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr2= 990, 991, 992,
 &end
#
#   47 ASP   HN     47 ASP  HB3      3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 381, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#   46 LYS   HN     47 ASP  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 381, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ASP   HN     47 ASP  HB2      3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 380, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#   47 ASP   HB2    48 LEU  HN       4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 388, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   90 ILE   HB     97 ILE  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1032,1140, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   90 ILE   HB     91 GLU  HN       3.55
 &rst
  ixpk= 0, nxpk= 0, iat=1032,1047, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#   90 ILE   HN     90 ILE  HB       3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1028,1032, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#   87 LEU   QD1    90 ILE  HB       5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1032, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 990, 991, 992,
 &end
#
#   34 LYS   HN     97 ILE  HB       5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 169,1144, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#   58 PHE   HE     73 GLU  QG       5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
 igr1= 553, 557,
 igr2= 761, 762,
 &end
#
#   35 ASN   HB2    97 ILE  HB       5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 195,1144, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#   33 MET   HB3    97 ILE  HB       4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 157,1144, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#   45 LEU   QD2    97 ILE  HB       4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 348, 349, 350,
 &end
#
#   97 ILE   HB     99 VAL  QG1      4.09
 &rst
  ixpk= 0, nxpk= 0, iat=1144,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2=1179,1180,1181,
 &end
#
#   97 ILE   HB     97 ILE  QD1      3.93
 &rst
  ixpk= 0, nxpk= 0, iat=1144,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1153,1154,1155,
 &end
#
#   48 LEU   QD1    97 ILE  HB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 397, 398, 399,
 &end
#
#   88 ASN   HB3    89 ASN  HN       4.90
 &rst
  ixpk= 0, nxpk= 0, iat=1005,1014, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   87 LEU   HN     88 ASN  HB3      4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 981,1005, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   88 ASN   HN     88 ASN  HB3      3.72
 &rst
  ixpk= 0, nxpk= 0, iat=1000,1005, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#   88 ASN   HB3    99 VAL  QG2      4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1005,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2=1183,1184,1185,
 &end
#
#   85 GLU   HA     88 ASN  HB2      5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 944,1004, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#   88 ASN   HB2    89 ASN  HN       4.88
 &rst
  ixpk= 0, nxpk= 0, iat=1004,1014, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#   84 LEU   HA     88 ASN  HB2      5.42
 &rst
  ixpk= 0, nxpk= 0, iat= 925,1004, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#   88 ASN   HB2    99 VAL  QG2      4.05
 &rst
  ixpk= 0, nxpk= 0, iat=1004,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2=1183,1184,1185,
 &end
#
#   29 TYR   HB2   104 ASN  HB2      5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  78,1256, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   78 GLU   HN     79 ILE  HB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 848, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   79 ILE   HN     79 ILE  HB       3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 844, 848, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#   79 ILE   HB     80 LEU  HN       4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 848, 863, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#   79 ILE   HB     79 ILE  QD1      4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 857, 858, 859,
 &end
#
#   35 ASN   HB3    98 THR  HB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 196,1163, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 ASN   HB3    97 ILE  HB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 196,1144, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 ASN   HB3    98 THR  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1165,1166,1167,
 &end
#
#   35 ASN   HB3    97 ILE  QG2      5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2=1146,1147,1148,
 &end
#
#   35 ASN   HB3    96 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1134,1135,1136,
 &end
#
#   34 LYS   HB3    35 ASN  HB2      5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 195, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
#   34 LYS   QG     35 ASN  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 195, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 176, 177,
 &end
#
#   35 ASN   HB2    97 ILE  QG2      5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 195,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2=1146,1147,1148,
 &end
#
#   35 ASN   HB2    96 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 195,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1134,1135,1136,
 &end
#
#   61 VAL   QG1    62 ASN  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 606, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 591, 592, 593,
 &end
#
#   61 VAL   HA     62 ASN  HB2      4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 587, 605, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   61 VAL   QG1    62 ASN  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 605, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 591, 592, 593,
 &end
#
#   61 VAL   QG2    62 ASN  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 605, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 595, 596, 597,
 &end
#
#   29 TYR   HB3    80 LEU  HB3      4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  79, 868, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#   29 TYR   HB3    80 LEU  HB2      4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  79, 867, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#   89 ASN   HB2    90 ILE  HN       4.66
 &rst
  ixpk= 0, nxpk= 0, iat=1018,1028, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#   29 TYR   HB2    77 GLU  HA       5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  78, 816, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#   29 TYR   HB2    80 LEU  HB3      4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  78, 868, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#   29 TYR   HB2    80 LEU  HB2      4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  78, 867, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   91 GLU   HG3    96 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1055,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1134,1135,1136,
 &end
#
#   91 GLU   HG2    96 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1134,1135,1136,
 &end
#
#   88 ASN   HND2   89 ASN  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1010,1019, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88 ASN   HA     89 ASN  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1002,1019, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   89 ASN   HB3    90 ILE  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1034,1035,1036,
 &end
#
#   89 ASN   HB3    96 VAL  QG2      4.71
 &rst
  ixpk= 0, nxpk= 0, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1134,1135,1136,
 &end
#
#   89 ASN   HB2    96 VAL  QG2      4.33
 &rst
  ixpk= 0, nxpk= 0, iat=1018,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1134,1135,1136,
 &end
#
#   91 GLU   HG3    92 PHE  HN       4.57
 &rst
  ixpk= 0, nxpk= 0, iat=1055,1062, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#   91 GLU   HG3    94 GLY  HN       5.29
 &rst
  ixpk= 0, nxpk= 0, iat=1055,1106, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#   91 GLU   HN     91 GLU  HG3      4.52
 &rst
  ixpk= 0, nxpk= 0, iat=1047,1055, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#   91 GLU   HG3    95 SER  HN       5.12
 &rst
  ixpk= 0, nxpk= 0, iat=1055,1113, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#   91 GLU   HG3    94 GLY  HA2      5.14
 &rst
  ixpk= 0, nxpk= 0, iat=1055,1108, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#   91 GLU   HG3    96 VAL  QG1      4.33
 &rst
  ixpk= 0, nxpk= 0, iat=1055,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1130,1131,1132,
 &end
#
#   91 GLU   HN     91 GLU  HG2      4.62
 &rst
  ixpk= 0, nxpk= 0, iat=1047,1054, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#   91 GLU   HG2    96 VAL  HA       5.08
 &rst
  ixpk= 0, nxpk= 0, iat=1054,1126, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#   91 GLU   HG2    96 VAL  QG1      4.44
 &rst
  ixpk= 0, nxpk= 0, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2=1130,1131,1132,
 &end
#
#   51 GLU   HN     51 GLU  HG3      4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 449, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#   50 ARG   HN     51 GLU  HG3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 449, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 GLN   HN     43 GLN  QG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 306,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 313, 314,
 &end
#
#   51 GLU   HG3    52 ASN  HN       5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 456, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#   51 GLU   HA     51 GLU  HG3      3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 449, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#   48 LEU   HA     51 GLU  HG3      4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 449, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#   48 LEU   QD2    51 GLU  HG3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 401, 402, 403,
 &end
#
#   51 GLU   HG2    52 ASN  HN       5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 456, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#   48 LEU   HN     51 GLU  HG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 448, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 GLU   HG2    79 ILE  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 507,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 850, 851, 852,
 &end
#
#   55 GLU   HN     55 GLU  HG3      4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 508, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   55 GLU   HG3    56 THR  HN       4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 515, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#   55 GLU   HN     55 GLU  HG2      4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 507, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#   55 GLU   HG2    79 ILE  QD1      5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 507,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2= 857, 858, 859,
 &end
#
#   55 GLU   HG2    56 THR  HN       4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 515, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#   82 GLU   HG2    83 ALA  HN       4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 913, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#   79 ILE   HA     82 GLU  HG2      4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 905, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#   82 GLU   HN     82 GLU  HG2      4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 898, 905, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#   82 GLU   HA     82 GLU  HG2      4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 900, 905, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#   79 ILE   QG2    82 GLU  HG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 850, 851, 852,
 &end
#
#   78 GLU   HN     78 GLU  HG3      4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 837, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#   77 GLU   HG3    81 VAL  HN       5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 882, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#   77 GLU   HN     77 GLU  HG3      5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 822, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#   77 GLU   HA     77 GLU  HG3      4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 816, 822, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#   77 GLU   HG3    81 VAL  QG2      4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 822,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2= 892, 893, 894,
 &end
#
#  100 GLU   QG    101 ARG  HN       5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1196,1197,
 &end
#
#   85 GLU   HG3    86 ARG  HN       5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 950, 957, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  100 GLU   HN    100 GLU  QG       4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1189,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=1196,1197,
 &end
#
#   85 GLU   HN     85 GLU  HG3      4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 942, 950, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#   99 VAL   HA    100 GLU  QG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1175,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1196,1197,
 &end
#
#   85 GLU   QB     85 GLU  HG3      2.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 950, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 946, 947,
 &end
#
#   98 THR   QG2   100 GLU  QG       5.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1=1165,1166,1167,
 igr2=1196,1197,
 &end
#
#   84 LEU   QD1    85 GLU  HG3      5.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 950, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 932, 933, 934,
 &end
#
#   29 TYR   HD     77 GLU  HG2      5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=  82,  91,
 &end
#
#   77 GLU   HG2    78 GLU  HN       5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 821, 829, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
#   77 GLU   HG2    78 GLU  HA       5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 821, 831, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#   42 TRP   HN     61 VAL  HB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 589, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 TRP   HB2    61 VAL  HB       5.44
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 589, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
#   32 THR   HA     33 MET  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 157, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 LYS   HB3    70 GLY  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 718, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 LYS   HB3    35 ASN  HN       4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 191, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#   33 MET   HA     34 LYS  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 174, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 LYS   HB3    98 THR  HN       5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 174,1159, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#   34 LYS   HB3    34 LYS  QE       4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 182, 183,
 &end
#
#   34 LYS   HB2    35 ASN  HN       4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 191, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#   34 LYS   HB2    35 ASN  HA       5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 193, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#   34 LYS   HB2    34 LYS  QE       4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 173,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 182, 183,
 &end
#
#   33 MET   HB2    34 LYS  HN       5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 156, 169, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#   33 MET   HB2    70 GLY  QA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 720, 721,
 &end
#
#   33 MET   HB2    97 ILE  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1146,1147,1148,
 &end
#
#   33 MET   HB2    45 LEU  QD2      4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 348, 349, 350,
 &end
#
#   33 MET   HB2    99 VAL  QG1      4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2=1179,1180,1181,
 &end
#
#   33 MET   HB2    45 LEU  QD1      5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr2= 344, 345, 346,
 &end
#
#   32 THR   HN     99 VAL  HB       5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 138,1177, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#   99 VAL   HB    100 GLU  HN       3.78
 &rst
  ixpk= 0, nxpk= 0, iat=1177,1189, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#   88 ASN   HA     99 VAL  HB       5.02
 &rst
  ixpk= 0, nxpk= 0, iat=1002,1177, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#   84 LEU   HA     99 VAL  HB       5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 925,1177, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#   30 ARG   HB3    31 ILE  HN       5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 100, 119, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#   30 ARG   HB2    31 ILE  HN       5.26
 &rst
  ixpk= 0, nxpk= 0, iat=  99, 119, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#   30 ARG   HB2    73 GLU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  99, 756, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 TYR   HA     30 ARG  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  99, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ARG   HB2   102 ASP  HB3      5.28
 &rst
  ixpk= 0, nxpk= 0, iat=  99,1233, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#   84 LEU   QD2   100 GLU  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1194, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 936, 937, 938,
 &end
#
#  100 GLU   HB3   101 ARG  HN       4.37
 &rst
  ixpk= 0, nxpk= 0, iat=1194,1204, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#   99 VAL   HA    100 GLU  HB3      5.40
 &rst
  ixpk= 0, nxpk= 0, iat=1175,1194, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#   32 THR   HB    100 GLU  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 142,1194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   98 THR   QG2   100 GLU  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1194, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1165,1166,1167,
 &end
#
#  100 GLU   HB2   101 ARG  HN       4.25
 &rst
  ixpk= 0, nxpk= 0, iat=1193,1204, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#   99 VAL   HA    100 GLU  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1175,1193, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 THR   HB    100 GLU  HB2      5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 142,1193, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  100 GLU   HB2   101 ARG  QG       5.43
 &rst
  ixpk= 0, nxpk= 0, iat=1193,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2=1211,1212,
 &end
#
#   98 THR   QG2   100 GLU  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1193, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1165,1166,1167,
 &end
#
#   84 LEU   QD1   100 GLU  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1193, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 932, 933, 934,
 &end
#
#   84 LEU   QD2   100 GLU  HB2      5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1193, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1= 936, 937, 938,
 &end
#
#   27 LYS   HB3    28 ARG  HN       4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  33,  50, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#   27 LYS   HB3    27 LYS  QE       5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=  41,  42,
 &end
#
#   27 LYS   HB2    28 ARG  HN       4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  50, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#   27 LYS   HB2    29 TYR  HE       5.39
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=  84,  89,
 &end
#
#   27 LYS   HB2    28 ARG  HA       5.11
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  52, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
#   28 ARG   HB3    29 TYR  HN       4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  55,  74, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#   27 LYS   HA     28 ARG  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  55, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 ARG   HB2    29 TYR  HN       4.98
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  74, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#   38 GLU   QG     95 SER  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1113, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 245, 246,
 &end
#
#   44 ASP   HN     46 LYS  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 358, 359,
 &end
#
#   86 ARG   HB3    87 LEU  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 962,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 990, 991, 992,
 &end
#
#   86 ARG   HN     86 ARG  HB3      4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 957, 962, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#   86 ARG   HB3    87 LEU  HN       5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 962, 981, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   84 LEU   HN     86 ARG  HB3      5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 923, 962, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
# 040507 5.17-5.70, 5.67-6.20
#
#   86 ARG   HN     86 ARG  HB2      4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 957, 961, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   86 ARG   HB2    87 LEU  HN       4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 961, 981, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#   52 ASN   HB3    86 ARG  HB2      5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 461, 961, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   83 ALA   QB     86 ARG  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 917, 918, 919,
 &end
#
#   86 ARG   HB2    87 LEU  QD1      5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 961,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr2= 990, 991, 992,
 &end
#
#   85 GLU   HN     86 ARG  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 942, 961, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 MET   HG3    34 LYS  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 169, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 MET   HN     33 MET  HG3      4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 160, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#   33 MET   HG3    72 LEU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 735, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 THR   HA     33 MET  HG3      5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 160, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#   33 MET   HG3    99 VAL  QG1      4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2=1179,1180,1181,
 &end
#
#   33 MET   HG3    45 LEU  QD1      5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 344, 345, 346,
 &end
#
#   33 MET   HG2    34 LYS  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 169, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 MET   HN     33 MET  HG2      4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 159, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#   33 MET   HG2    72 LEU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 735, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 THR   HA     33 MET  HG2      5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 159, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#   33 MET   HG2    99 VAL  QG1      4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2=1179,1180,1181,
 &end
#
#   33 MET   HG2    45 LEU  QD1      5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr2= 344, 345, 346,
 &end
#
#   38 GLU   HN     38 GLU  QG       4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 245, 246,
 &end
#
#   38 GLU   QG     95 SER  HB2      4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1117, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 245, 246,
 &end
#
#   46 LYS   QB     50 ARG  HD3      4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 358, 359,
 &end
#
#   42 TRP   HZ3    46 LYS  QB       5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 299,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2= 358, 359,
 &end
#
#   84 LEU   QD2   101 ARG  HB2      4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1208, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 936, 937, 938,
 &end
#
#   52 ASN   HB3    86 ARG  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 461, 962, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 MET   HG3    97 ILE  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1146,1147,1148,
 &end
#
#   33 MET   HG2    72 LEU  QD2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 748, 749, 750,
 &end
#
#   33 MET   HG2    97 ILE  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1146,1147,1148,
 &end
#
#   81 VAL   HB     82 GLU  HN       3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 886, 898, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   80 LEU   HN     81 VAL  HB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 886, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   78 GLU   HA     81 VAL  HB       3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 831, 886, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#   79 ILE   HA     81 VAL  HB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 886, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  101 ARG   HN    101 ARG  HB3      3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1204,1209, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  100 GLU   HA    101 ARG  HB3      5.31
 &rst
  ixpk= 0, nxpk= 0, iat=1191,1209, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#  101 ARG   HN    101 ARG  HB2      3.97
 &rst
  ixpk= 0, nxpk= 0, iat=1204,1208, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#  100 GLU   HA    101 ARG  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1191,1208, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   84 LEU   QD1   101 ARG  HB2      4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1208, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 932, 933, 934,
 &end
#
#   96 VAL   HB     97 ILE  HN       5.40
 &rst
  ixpk= 0, nxpk= 0, iat=1128,1140, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#   35 ASN   HND2   96 VAL  HB       5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 201,1128, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#   89 ASN   HA     96 VAL  HB       5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1016,1128, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   55 GLU   HB3    56 THR  HN       4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 515, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#   55 GLU   HB2    56 THR  HN       4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 515, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#   84 LEU   HN     85 GLU  QB       4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 923,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 946, 947,
 &end
#
#   91 GLU   HB3    92 PHE  HN       4.65
 &rst
  ixpk= 0, nxpk= 0, iat=1052,1062, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#   91 GLU   HN     91 GLU  HB3      3.72
 &rst
  ixpk= 0, nxpk= 0, iat=1047,1052, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#   91 GLU   HB3    96 VAL  QG1      4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1052,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=1130,1131,1132,
 &end
#
#   91 GLU   HB2    92 PHE  HN       4.68
 &rst
  ixpk= 0, nxpk= 0, iat=1051,1062, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#   91 GLU   HB2    96 VAL  QG1      4.49
 &rst
  ixpk= 0, nxpk= 0, iat=1051,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1130,1131,1132,
 &end
#
#   91 GLU   HB2    96 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1051,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1134,1135,1136,
 &end
#
#   85 GLU   QB     86 ARG  HN       3.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1= 946, 947,
 &end
#
#   82 GLU   HA     85 GLU  QB       3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 900,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 946, 947,
 &end
#
#   83 ALA   HA     85 GLU  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 946, 947,
 &end
#
#   81 VAL   HA     85 GLU  QB       5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 884,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2= 946, 947,
 &end
#
#   50 ARG   QB     51 GLU  HN       4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 421, 422,
 &end
#
#   81 VAL   HN     82 GLU  HB3      5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 882, 903, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#   49 ALA   HN     50 ARG  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 407,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 421, 422,
 &end
#
#   29 TYR   HD     77 GLU  HB3      5.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=  82,  91,
 &end
#
#   38 GLU   QB     40 CYS  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 242, 243,
 &end
#
#   77 GLU   HN     77 GLU  HB2      3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 818, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#   79 ILE   HN     79 ILE  HG12     4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 844, 854, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#   76 SER   HN     79 ILE  HG12     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 803, 854, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   78 GLU   HB2    79 ILE  HG12     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 833, 854, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   51 GLU   HN     51 GLU  HB3      3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 446, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#   51 GLU   HB3    52 ASN  HN       4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 456, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#   51 GLU   HB3    52 ASN  HND1     5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 465, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#   51 GLU   HB3    52 ASN  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 461, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   51 GLU   HB2    52 ASN  HND1     4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 465, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#   49 ALA   HA     51 GLU  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 445, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 LEU   HG     51 GLU  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 445, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   81 VAL   HA     82 GLU  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 903, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
# 040507 5.50-5.80, 5.80-6.30
#
#   79 ILE   QG2    82 GLU  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 850, 851, 852,
 &end
#
#   82 GLU   HB3    83 ALA  QB       5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2= 917, 918, 919,
 &end
#
#   38 GLU   QB     39 GLY  HA2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 255, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 242, 243,
 &end
#
#   82 GLU   HB2    83 ALA  QB       5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 902,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 917, 918, 919,
 &end
#
#   82 GLU   HN     82 GLU  HB2      3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 898, 902, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#   79 ILE   QG2    82 GLU  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 902, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 850, 851, 852,
 &end
#
#   77 GLU   HB2    78 GLU  HN       4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 829, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#   77 GLU   HB2    78 GLU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 LYS   HN     34 LYS  HD3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 180, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 LYS   HD3    35 ASN  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 191, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 LYS   HA     34 LYS  HD3      5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 180, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   34 LYS   HB3    34 LYS  HD3      3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 180, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#   34 LYS   HN     34 LYS  HD2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 179, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   79 ILE   HG13   80 LEU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 855, 863, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 LYS   HA     34 LYS  HD2      5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 179, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#   79 ILE   HA     79 ILE  HG12     4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 854, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#   27 LYS   HB3    27 LYS  QD       3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2=  38,  39,
 &end
#
#   27 LYS   QD     28 ARG  HN       5.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1=  38,  39,
 &end
#
#   27 LYS   HA     27 LYS  QD       4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2=  38,  39,
 &end
#
#   27 LYS   HB2    27 LYS  QD       3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2=  38,  39,
 &end
#
#   30 ARG   HN     30 ARG  QG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 102, 103,
 &end
#
#   30 ARG   QG     71 ALA  QB       4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 102, 103,
 igr2= 729, 730, 731,
 &end
#
#   30 ARG   QG     31 ILE  HN       5.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 102, 103,
 &end
#
#   78 GLU   HN     78 GLU  HB3      3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 834, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#   78 GLU   HB3    79 ILE  HN       4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 834, 844, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#   78 GLU   HB3    79 ILE  HG13     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 834, 855, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   78 GLU   HB3    79 ILE  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 834,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 857, 858, 859,
 &end
#
#   78 GLU   HB2    79 ILE  HN       4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 833, 844, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#   78 GLU   HB2    79 ILE  HG13     5.44
 &rst
  ixpk= 0, nxpk= 0, iat= 833, 855, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
#   78 GLU   HB2    80 LEU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 833, 863, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ARG   QG    102 ASP  HB3      5.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1233, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 102, 103,
 &end
#
#   30 ARG   QG     73 GLU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 102, 103,
 &end
#
#   40 CYS   HB3    41 SER  HN       4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 271, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#   40 CYS   HB3    45 LEU  QD2      4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 348, 349, 350,
 &end
#
#   40 CYS   HN     40 CYS  HB3      3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 260, 265, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   40 CYS   HB3    92 PHE  HE       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2=1072,1076,
 &end
#
#   40 CYS   HB2    45 LEU  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 340, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 CYS   HB2    41 SER  HN       4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 271, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#   40 CYS   HB2    92 PHE  HE       5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2=1072,1076,
 &end
#
#   46 LYS   HD2    50 ARG  HG3      5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 425, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
#   40 CYS   HB2    45 LEU  HG       4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 342, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#   40 CYS   HB2    45 LEU  QD2      4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2= 348, 349, 350,
 &end
#
#   86 ARG   HG3    87 LEU  HN       5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 965, 981, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#   83 ALA   HA     86 ARG  HG3      5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 965, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#   86 ARG   HG3    87 LEU  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 990, 991, 992,
 &end
#
#   83 ALA   QB     86 ARG  HG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 964, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 917, 918, 919,
 &end
#
#   86 ARG   HG2    87 LEU  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 964,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 990, 991, 992,
 &end
#
#   86 ARG   HG2    87 LEU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 964, 981, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   86 ARG   HA     86 ARG  HG2      3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 959, 964, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#   82 GLU   HG3    86 ARG  HG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 906, 964, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 ILE   HN     80 LEU  QD1      5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2= 872, 873, 874,
 &end
#
#   80 LEU   HN     80 LEU  QD1      4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 863,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 872, 873, 874,
 &end
#
#   29 TYR   HD     80 LEU  QD1      4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1=  82,  91,
 igr2= 872, 873, 874,
 &end
#
#   31 ILE   HA     80 LEU  QD1      5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 872, 873, 874,
 &end
#
#   80 LEU   QD1   101 ARG  HA       4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1206, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 872, 873, 874,
 &end
#
#   80 LEU   QD1    81 VAL  HA       4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 884, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1= 872, 873, 874,
 &end
#
#   29 TYR   HB3    80 LEU  QD1      4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  79,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2= 872, 873, 874,
 &end
#
#   80 LEU   HA     80 LEU  QD1      3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 872, 873, 874,
 &end
#
#   29 TYR   HB2    80 LEU  QD1      4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 872, 873, 874,
 &end
#
#   80 LEU   HB3    80 LEU  QD1      4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 868,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2= 872, 873, 874,
 &end
#
#   31 ILE   HG12   80 LEU  QD1      4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 872, 873, 874,
 &end
#
#   80 LEU   QD1    84 LEU  QD2      4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 872, 873, 874,
 igr2= 936, 937, 938,
 &end
#
#   40 CYS   HB3    45 LEU  HG       4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 342, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#   80 LEU   HN     80 LEU  HG       4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 870, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#   80 LEU   HG     81 VAL  HA       4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 870, 884, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   29 TYR   HB2    80 LEU  HG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  78, 870, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 ILE   QG2    80 LEU  HG       4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 870, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 125, 126, 127,
 &end
#
#   42 TRP   HB3    62 ASN  HND1     4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 610, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#   41 SER   HB3    42 TRP  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 287, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 TRP   HB3    61 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 591, 592, 593,
 &end
#
#   42 TRP   HB3    61 VAL  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 585, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 TRP   HB2    61 VAL  HN       5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 585, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#   42 TRP   HB2    62 ASN  HND1     4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 610, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#   42 TRP   HB2    59 SER  HB3      5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 568, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
#   50 ARG   HG3    51 GLU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   80 LEU   HG     84 LEU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 870, 923, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 ARG   HN     50 ARG  HG3      4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 425, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#   45 LEU   HG     46 LYS  HN       5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 342, 354, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#   50 ARG   HG2    51 GLU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 424, 441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 ARG   HN     50 ARG  HG2      5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 424, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#   87 LEU   HA     87 LEU  HG       4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 983, 988, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#   90 ILE   HG13   91 GLU  HN       4.99
 &rst
  ixpk= 0, nxpk= 0, iat=1039,1047, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#   90 ILE   HN     90 ILE  HG13     4.29
 &rst
  ixpk= 0, nxpk= 0, iat=1028,1039, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#   87 LEU   QD1    90 ILE  HG13     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1039, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 990, 991, 992,
 &end
#
#   90 ILE   HG12   97 ILE  HN       5.49
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1140, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#   90 ILE   HN     90 ILE  HG12     4.33
 &rst
  ixpk= 0, nxpk= 0, iat=1028,1038, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#   87 LEU   QD1    90 ILE  HG12     5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1038, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 990, 991, 992,
 &end
#
#   84 LEU   HG     85 GLU  HN       5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 930, 942, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
#   72 LEU   HN     72 LEU  HG       4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 742, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#   97 ILE   HG13   98 THR  HN       5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1151,1159, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   90 ILE   HN     97 ILE  HG13     4.88
 &rst
  ixpk= 0, nxpk= 0, iat=1028,1151, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#   92 PHE   HB2    97 ILE  HG13     4.89
 &rst
  ixpk= 0, nxpk= 0, iat=1066,1151, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#   86 ARG   HN     87 LEU  HG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 957, 988, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   87 LEU   HN     87 LEU  HG       4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 981, 988, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#   87 LEU   HG     88 ASN  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 988,1000, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   97 ILE   HG12   98 THR  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1150,1159, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   92 PHE   HN     97 ILE  HG12     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1150, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   92 PHE   HB2    97 ILE  HG12     5.12
 &rst
  ixpk= 0, nxpk= 0, iat=1066,1150, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#   48 LEU   HG     92 PHE  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1072,1076,
 &end
#
#   48 LEU   HG     52 ASN  HB3      4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 461, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
# 040507 4.46-5.00, 4.96-5.50
#
#   48 LEU   HN     48 LEU  HG       4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 395, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   48 LEU   HG     52 ASN  HND1     5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 465, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#   48 LEU   HG     49 ALA  HA       4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 409, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#   29 TYR   HE     80 LEU  QD2      5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=  84,  89,
 igr2= 876, 877, 878,
 &end
#
#   80 LEU   QD2    84 LEU  QD2      4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 876, 877, 878,
 igr2= 936, 937, 938,
 &end
#
#   78 GLU   HN     80 LEU  QD2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 829,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 876, 877, 878,
 &end
#
#   84 LEU   QD1   101 ARG  HN       5.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 932, 933, 934,
 &end
#
#   84 LEU   HN     84 LEU  QD1      4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 923,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 932, 933, 934,
 &end
#
#   84 LEU   QD1    85 GLU  HN       5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 932, 933, 934,
 &end
#
#   84 LEU   QD1   101 ARG  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1206, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 932, 933, 934,
 &end
#
#   28 ARG   HG3    29 TYR  HN       5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  74, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#   28 ARG   HG2    29 TYR  HN       5.31
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  74, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#   30 ARG   HN     80 LEU  QD2      5.14
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 876, 877, 878,
 &end
#
#   80 LEU   QD2    81 VAL  HN       4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 876, 877, 878,
 &end
#
#   81 VAL   QG1    84 LEU  HN       5.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 923, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1= 888, 889, 890,
 &end
#
#   80 LEU   HN     80 LEU  QD2      4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 863,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2= 876, 877, 878,
 &end
#
#   29 TYR   HD     80 LEU  QD2      4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1=  82,  91,
 igr2= 876, 877, 878,
 &end
#
#   29 TYR   HA     80 LEU  QD2      4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2= 876, 877, 878,
 &end
#
#   80 LEU   QD2   101 ARG  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1206, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 876, 877, 878,
 &end
#
#   81 VAL   HA     81 VAL  QG1      3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 884,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 888, 889, 890,
 &end
#
#   80 LEU   HA     80 LEU  QD2      4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 876, 877, 878,
 &end
#
#   29 TYR   HB2    80 LEU  QD2      4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 876, 877, 878,
 &end
#
#   84 LEU   QD1   101 ARG  HD2      4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1214, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 932, 933, 934,
 &end
#
#   84 LEU   QD1   101 ARG  HB3      3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 932, 933, 934,
 &end
#
#   28 ARG   HN     28 ARG  HG2      4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  57, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#   31 ILE   HG13   72 LEU  HN       4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 735, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#   31 ILE   HG13   80 LEU  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 872, 873, 874,
 &end
#
#   31 ILE   HN     31 ILE  HG13     4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 119, 130, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#   29 TYR   HE     31 ILE  HG13     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  84,  89,
 &end
#
#   30 ARG   HA     31 ILE  HG13     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 130, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 ILE   HG13   72 LEU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 737, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 ILE   HG12   72 LEU  HN       5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 735, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#   31 ILE   HG12   73 GLU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 756, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ARG   HA     31 ILE  HG12     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 LYS   QG     98 THR  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 176, 177,
 &end
#
#   34 LYS   QG     35 ASN  HN       4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 191, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 176, 177,
 &end
#
#   32 THR   HB     34 LYS  QG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 142,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 176, 177,
 &end
#
#   34 LYS   QG     98 THR  HB       5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1163, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 176, 177,
 &end
#
#   46 LYS   HN     46 LYS  HG3      4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 362, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#   46 LYS   HG3    50 ARG  HD3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 428, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 LYS   HN     46 LYS  HG2      4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 361, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#   54 LEU   HG     55 GLU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 500, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 SER   HN     54 LEU  HG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 470, 488, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 LEU   HN     54 LEU  HG       4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 488, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#   52 ASN   HB3    54 LEU  HG       4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 461, 488, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#   27 LYS   QG     28 ARG  HN       5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=  35,  36,
 &end
#
#   27 LYS   QG     29 TYR  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  35,  36,
 igr2=  84,  89,
 &end
#
#   27 LYS   QG     28 ARG  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  52, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  35,  36,
 &end
#
#   48 LEU   QD1    92 PHE  HE       5.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
 igr1= 397, 398, 399,
 igr2=1072,1076,
 &end
#
#   48 LEU   QD1    92 PHE  HD       5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr1= 397, 398, 399,
 igr2=1070,1078,
 &end
#
#   48 LEU   QD1    92 PHE  HB2      4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 397, 398, 399,
 &end
#
#   48 LEU   HB2    48 LEU  QD1      4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 397, 398, 399,
 &end
#
#   48 LEU   QD1    90 ILE  QD1      4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr1= 397, 398, 399,
 igr2=1041,1042,1043,
 &end
#
#   48 LEU   QD1    97 ILE  QD1      4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 397, 398, 399,
 igr2=1153,1154,1155,
 &end
#
#   60 SER   HN     72 LEU  QD1      4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 744, 745, 746,
 &end
#
#   72 LEU   QD1    73 GLU  HN       4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 744, 745, 746,
 &end
#
#   58 PHE   HN     72 LEU  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 744, 745, 746,
 &end
#
#   59 SER   HN     72 LEU  QD1      4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 744, 745, 746,
 &end
#
#   29 TYR   HE     72 LEU  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  84,  89,
 igr2= 744, 745, 746,
 &end
#
#   59 SER   HB3    72 LEU  QD1      3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 744, 745, 746,
 &end
#
#   57 THR   QG2    58 PHE  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 535, 536, 537,
 &end
#
#   89 ASN   HN     99 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1014,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1179,1180,1181,
 &end
#
#   99 VAL   HN     99 VAL  QG1      4.37
 &rst
  ixpk= 0, nxpk= 0, iat=1173,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2=1179,1180,1181,
 &end
#
#   98 THR   HN     99 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1179,1180,1181,
 &end
#
#   88 ASN   HN     99 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1000,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1179,1180,1181,
 &end
#
#   88 ASN   HA     99 VAL  QG1      4.68
 &rst
  ixpk= 0, nxpk= 0, iat=1002,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2=1179,1180,1181,
 &end
#
#   87 LEU   HA     99 VAL  QG1      4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 983,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1179,1180,1181,
 &end
#
#   84 LEU   HA     99 VAL  QG1      5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 925,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2=1179,1180,1181,
 &end
#
#   88 ASN   HB3    99 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1005,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1179,1180,1181,
 &end
#
#   98 THR   HA     99 VAL  QG1      5.16
 &rst
  ixpk= 0, nxpk= 0, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2=1179,1180,1181,
 &end
#
#   84 LEU   QD2   100 GLU  HN       4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 936, 937, 938,
 &end
#
#   84 LEU   QD2    99 VAL  HN       5.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 936, 937, 938,
 &end
#
#   84 LEU   HN     84 LEU  QD2      4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 923,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 936, 937, 938,
 &end
#
#   84 LEU   QD2    85 GLU  HN       5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 936, 937, 938,
 &end
#
#   84 LEU   QD2    99 VAL  HA       5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1175, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1= 936, 937, 938,
 &end
#
#   31 ILE   HA     84 LEU  QD2      5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2= 936, 937, 938,
 &end
#
#   84 LEU   QD2    85 GLU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 936, 937, 938,
 &end
#
#   81 VAL   HA     84 LEU  QD2      5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 884,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2= 936, 937, 938,
 &end
#
#   84 LEU   HB3    84 LEU  QD2      3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 928,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 936, 937, 938,
 &end
#
#   84 LEU   HB2    84 LEU  QD2      3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 936, 937, 938,
 &end
#
#   31 ILE   QG2    84 LEU  QD2      3.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 125, 126, 127,
 igr2= 936, 937, 938,
 &end
#
#   40 CYS   HB2    45 LEU  QD1      5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2= 344, 345, 346,
 &end
#
#   80 LEU   HA     81 VAL  QG2      5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2= 892, 893, 894,
 &end
#
#   77 GLU   HB2    81 VAL  QG2      5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 892, 893, 894,
 &end
#
#   57 THR   QG2    58 PHE  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 545, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 535, 536, 537,
 &end
#
#   81 VAL   QG2    82 GLU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 900, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 892, 893, 894,
 &end
#
#   57 THR   QG2    58 PHE  HB2      3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 547, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 535, 536, 537,
 &end
#
#   45 LEU   QD1    71 ALA  HN       5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1= 344, 345, 346,
 &end
#
#   33 MET   HN     45 LEU  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 344, 345, 346,
 &end
#
#   45 LEU   HN     45 LEU  QD1      4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 344, 345, 346,
 &end
#
#   45 LEU   QD1    70 GLY  QA       3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 344, 345, 346,
 igr2= 720, 721,
 &end
#
#   81 VAL   HN     81 VAL  QG2      3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 892, 893, 894,
 &end
#
#   81 VAL   QG2    84 LEU  HN       5.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 923, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1= 892, 893, 894,
 &end
#
#   81 VAL   QG2    82 GLU  HN       4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 898, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 892, 893, 894,
 &end
#
#   80 LEU   HN     81 VAL  QG2      4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 863,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 892, 893, 894,
 &end
#
#   81 VAL   HA     81 VAL  QG2      3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 884,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 892, 893, 894,
 &end
#
#   45 LEU   QD2    92 PHE  HD       4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1= 348, 349, 350,
 igr2=1070,1078,
 &end
#
#   33 MET   HA     45 LEU  QD2      5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2= 348, 349, 350,
 &end
#
#   33 MET   HB3    45 LEU  QD2      4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 348, 349, 350,
 &end
#
#   45 LEU   QD2    97 ILE  QG2      3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 348, 349, 350,
 igr2=1146,1147,1148,
 &end
#
#   71 ALA   HN     71 ALA  QB       4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 729, 730, 731,
 &end
#
#   31 ILE   HN     71 ALA  QB       5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2= 729, 730, 731,
 &end
#
#   60 SER   HN     71 ALA  QB       4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 729, 730, 731,
 &end
#
#   72 LEU   HN     72 LEU  QD2      3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 735,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2= 748, 749, 750,
 &end
#
#   42 TRP   HZ3    72 LEU  QD2      4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 299,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 748, 749, 750,
 &end
#
#   30 ARG   HA     71 ALA  QB       5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 729, 730, 731,
 &end
#
#   31 ILE   HA     71 ALA  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 729, 730, 731,
 &end
#
#   32 THR   HA     71 ALA  QB       4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 729, 730, 731,
 &end
#
#   70 GLY   QA     71 ALA  QB       5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1= 720, 721,
 igr2= 729, 730, 731,
 &end
#
#   30 ARG   QD     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= 105, 106,
 igr2= 729, 730, 731,
 &end
#
#   33 MET   HG3    72 LEU  QD2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 748, 749, 750,
 &end
#
#   33 MET   HB2    72 LEU  QD2      4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr2= 748, 749, 750,
 &end
#
#   32 THR   HN     32 THR  QG2      4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2= 144, 145, 146,
 &end
#
#   32 THR   QG2    33 MET  HN       3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 144, 145, 146,
 &end
#
#   32 THR   QG2    70 GLY  HN       4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 144, 145, 146,
 &end
#
#   32 THR   QG2   100 GLU  HN       5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 144, 145, 146,
 &end
#
#   32 THR   QG2    71 ALA  HA       5.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 727, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 144, 145, 146,
 &end
#
#   32 THR   QG2    33 MET  HA       4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 144, 145, 146,
 &end
#
#   32 THR   HA     32 THR  QG2      3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 144, 145, 146,
 &end
#
#   32 THR   QG2    69 THR  HB       4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 708, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 144, 145, 146,
 &end
#
#   32 THR   QG2    34 LYS  QE       4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 144, 145, 146,
 igr2= 182, 183,
 &end
#
#   32 THR   QG2   102 ASP  HB2      5.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1232, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr1= 144, 145, 146,
 &end
#
#   48 LEU   HN     48 LEU  QD2      4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 401, 402, 403,
 &end
#
#   48 LEU   QD2    92 PHE  HE       4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1= 401, 402, 403,
 igr2=1072,1076,
 &end
#
#   48 LEU   QD2    49 ALA  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 409, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 401, 402, 403,
 &end
#
#   48 LEU   QD2    92 PHE  HB2      4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 401, 402, 403,
 &end
#
#   48 LEU   QD2    51 GLU  HB3      5.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 446, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 401, 402, 403,
 &end
#
#   48 LEU   QD2    51 GLU  HB2      5.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 445, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 401, 402, 403,
 &end
#
#   48 LEU   HB2    48 LEU  QD2      3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 401, 402, 403,
 &end
#
#   61 VAL   HN     61 VAL  QG2      4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 585,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 595, 596, 597,
 &end
#
#   45 LEU   HN     61 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 595, 596, 597,
 &end
#
#   61 VAL   QG2    70 GLY  QA       4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1= 595, 596, 597,
 igr2= 720, 721,
 &end
#
#   45 LEU   HG     61 VAL  QG2      4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 342,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2= 595, 596, 597,
 &end
#
#   41 SER   HB3    61 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 595, 596, 597,
 &end
#
#   87 LEU   QD1    88 ASN  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1000, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 990, 991, 992,
 &end
#
#   87 LEU   HN     87 LEU  QD1      4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 981,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 990, 991, 992,
 &end
#
#   48 LEU   QD2    51 GLU  HG2      4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 401, 402, 403,
 &end
#
#   87 LEU   HB3    87 LEU  QD1      4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 986,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 990, 991, 992,
 &end
#
#   89 ASN   HN     98 THR  QG2      4.37
 &rst
  ixpk= 0, nxpk= 0, iat=1014,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2=1165,1166,1167,
 &end
#
#   98 THR   QG2    99 VAL  HN       4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1=1165,1166,1167,
 &end
#
#   98 THR   HN     98 THR  QG2      4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2=1165,1166,1167,
 &end
#
#   98 THR   HA     98 THR  QG2      3.60
 &rst
  ixpk= 0, nxpk= 0, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2=1165,1166,1167,
 &end
#
#   89 ASN   HA     98 THR  QG2      4.64
 &rst
  ixpk= 0, nxpk= 0, iat=1016,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2=1165,1166,1167,
 &end
#
#   89 ASN   HB2    98 THR  QG2      4.93
 &rst
  ixpk= 0, nxpk= 0, iat=1018,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2=1165,1166,1167,
 &end
#
#   35 ASN   HB2    98 THR  QG2      4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 195,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2=1165,1166,1167,
 &end
#
#   98 THR   QG2    99 VAL  QG2      4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1=1165,1166,1167,
 igr2=1183,1184,1185,
 &end
#
#   65 ASP   HB3    69 THR  QG2      3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 658,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 710, 711, 712,
 &end
#
#   65 ASP   HB2    69 THR  QG2      3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 710, 711, 712,
 &end
#
#   34 LYS   QG     69 THR  QG2      2.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr1= 176, 177,
 igr2= 710, 711, 712,
 &end
#
#   34 LYS   HN     98 THR  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1165,1166,1167,
 &end
#
#   35 ASN   HN     69 THR  QG2      4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 191,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 710, 711, 712,
 &end
#
#   69 THR   HA     69 THR  QG2      3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 706,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2= 710, 711, 712,
 &end
#
#   34 LYS   HA     69 THR  QG2      3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 171,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 710, 711, 712,
 &end
#
#   98 THR   QG2   100 GLU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1165,1166,1167,
 &end
#
#   89 ASN   HB3    98 THR  QG2      5.46
 &rst
  ixpk= 0, nxpk= 0, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr2=1165,1166,1167,
 &end
#
#   34 LYS   QE     69 THR  QG2      4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1= 182, 183,
 igr2= 710, 711, 712,
 &end
#
#   34 LYS   HB3    69 THR  QG2      4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 710, 711, 712,
 &end
#
#   54 LEU   HG     79 ILE  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 850, 851, 852,
 &end
#
#   61 VAL   HN     61 VAL  QG1      5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 585,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2= 591, 592, 593,
 &end
#
#   40 CYS   HN     61 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 260,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 591, 592, 593,
 &end
#
#   61 VAL   HA     61 VAL  QG1      3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 591, 592, 593,
 &end
#
#   41 SER   HB3    61 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 591, 592, 593,
 &end
#
#   42 TRP   HA     61 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 591, 592, 593,
 &end
#
#   61 VAL   QG1    70 GLY  QA       5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
 igr1= 591, 592, 593,
 igr2= 720, 721,
 &end
#
#   42 TRP   HB2    61 VAL  QG1      5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr2= 591, 592, 593,
 &end
#
#   40 CYS   HB3    61 VAL  QG1      5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr2= 591, 592, 593,
 &end
#
#   40 CYS   HB2    61 VAL  QG1      4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 591, 592, 593,
 &end
#
#   61 VAL   QG1    62 ASN  HN       5.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 601, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 591, 592, 593,
 &end
#
#   79 ILE   QG2    79 ILE  QD1      3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 850, 851, 852,
 igr2= 857, 858, 859,
 &end
#
#   92 PHE   HN     96 VAL  QG1      4.89
 &rst
  ixpk= 0, nxpk= 0, iat=1062,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2=1130,1131,1132,
 &end
#
#   96 VAL   QG1    97 ILE  HN       4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1140, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1130,1131,1132,
 &end
#
#   91 GLU   HN     96 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1130,1131,1132,
 &end
#
#   35 ASN   HND2   96 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1130,1131,1132,
 &end
#
#   90 ILE   HN     96 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1028,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1130,1131,1132,
 &end
#
#   96 VAL   HA     96 VAL  QG1      3.42
 &rst
  ixpk= 0, nxpk= 0, iat=1126,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2=1130,1131,1132,
 &end
#
#   92 PHE   HN     96 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1062,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1134,1135,1136,
 &end
#
#   96 VAL   QG2    97 ILE  HN       3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1140, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=1134,1135,1136,
 &end
#
#   96 VAL   HN     96 VAL  QG2      4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1124,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2=1134,1135,1136,
 &end
#
#   91 GLU   HN     96 VAL  QG2      5.49
 &rst
  ixpk= 0, nxpk= 0, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr2=1134,1135,1136,
 &end
#
#   90 ILE   HN     96 VAL  QG2      4.67
 &rst
  ixpk= 0, nxpk= 0, iat=1028,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1134,1135,1136,
 &end
#
#   96 VAL   HA     96 VAL  QG2      3.51
 &rst
  ixpk= 0, nxpk= 0, iat=1126,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2=1134,1135,1136,
 &end
#
#   89 ASN   HA     96 VAL  QG2      3.31
 &rst
  ixpk= 0, nxpk= 0, iat=1016,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2=1134,1135,1136,
 &end
#
#   96 VAL   QG2    97 ILE  HB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1134,1135,1136,
 &end
#
#   96 VAL   QG2    97 ILE  HG12     4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1150, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1=1134,1135,1136,
 &end
#
#   96 VAL   QG2    97 ILE  QG2      4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1134,1135,1136,
 igr2=1146,1147,1148,
 &end
#
#   83 ALA   QB     87 LEU  QD1      5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr1= 917, 918, 919,
 igr2= 990, 991, 992,
 &end
#
#   83 ALA   QB     84 LEU  HA       5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 925, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 917, 918, 919,
 &end
#
#   81 VAL   HA     83 ALA  QB       5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 884,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr2= 917, 918, 919,
 &end
#
#   80 LEU   HA     83 ALA  QB       3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 917, 918, 919,
 &end
#
#   83 ALA   QB     86 ARG  HB3      4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 917, 918, 919,
 &end
#
#   54 LEU   QD1    83 ALA  QB       3.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 490, 491, 492,
 igr2= 917, 918, 919,
 &end
#
#   83 ALA   QB     84 LEU  QD2      3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 917, 918, 919,
 igr2= 936, 937, 938,
 &end
#
#   99 VAL   QG2   100 GLU  HN       4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1=1183,1184,1185,
 &end
#
#   84 LEU   HN     99 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 923,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1183,1184,1185,
 &end
#
#   33 MET   HA     99 VAL  QG2      5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2=1183,1184,1185,
 &end
#
#   85 GLU   HA     99 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1183,1184,1185,
 &end
#
#   84 LEU   HA     99 VAL  QG2      3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 925,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2=1183,1184,1185,
 &end
#
#   87 LEU   HB3    99 VAL  QG2      4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 986,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2=1183,1184,1185,
 &end
#
#   84 LEU   QD1    99 VAL  QG2      4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 932, 933, 934,
 igr2=1183,1184,1185,
 &end
#
#   85 GLU   HN     99 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 942,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1183,1184,1185,
 &end
#
#   26 ALA   QB     27 LYS  HN       5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  28, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1=  22,  23,  24,
 &end
#
#   25 PRO   HA     26 ALA  QB       4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  14,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2=  22,  23,  24,
 &end
#
#   25 PRO   QG     26 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=   8,   9,
 igr2=  22,  23,  24,
 &end
#
#   25 PRO   HB2    26 ALA  QB       4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  11,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2=  22,  23,  24,
 &end
#
#   26 ALA   QB     27 LYS  HB2      3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  32, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1=  22,  23,  24,
 &end
#
#   92 PHE   HN     97 ILE  QG2      5.01
 &rst
  ixpk= 0, nxpk= 0, iat=1062,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2=1146,1147,1148,
 &end
#
#   34 LYS   HN     97 ILE  QG2      4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=1146,1147,1148,
 &end
#
#   97 ILE   HN     97 ILE  QG2      3.99
 &rst
  ixpk= 0, nxpk= 0, iat=1140,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2=1146,1147,1148,
 &end
#
#   35 ASN   HN     97 ILE  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 191,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1146,1147,1148,
 &end
#
#   97 ILE   QG2    98 THR  HN       3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1=1146,1147,1148,
 &end
#
#   92 PHE   HD     97 ILE  QG2      4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1=1070,1078,
 igr2=1146,1147,1148,
 &end
#
#   33 MET   HA     97 ILE  QG2      5.44
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr2=1146,1147,1148,
 &end
#
#   95 SER   HB2    97 ILE  QG2      4.39
 &rst
  ixpk= 0, nxpk= 0, iat=1117,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2=1146,1147,1148,
 &end
#
#   92 PHE   HB2    97 ILE  QG2      3.97
 &rst
  ixpk= 0, nxpk= 0, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2=1146,1147,1148,
 &end
#
#   33 MET   HB3    97 ILE  QG2      4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2=1146,1147,1148,
 &end
#
#   54 LEU   HB3    54 LEU  QD1      3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 486,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 490, 491, 492,
 &end
#
#   97 ILE   QG2    97 ILE  HG12     3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1150, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1=1146,1147,1148,
 &end
#
#   54 LEU   QD1    87 LEU  QD2      3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 490, 491, 492,
 igr2= 994, 995, 996,
 &end
#
#   97 ILE   QG2    97 ILE  QD1      3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1=1146,1147,1148,
 igr2=1153,1154,1155,
 &end
#
#   54 LEU   QD1    87 LEU  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 490, 491, 492,
 igr2= 990, 991, 992,
 &end
#
#   48 LEU   QD1    97 ILE  QG2      5.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 397, 398, 399,
 igr2=1146,1147,1148,
 &end
#
#   31 ILE   QG2    84 LEU  HA       5.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 925, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 125, 126, 127,
 &end
#
#   31 ILE   QG2   100 GLU  HN       4.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 125, 126, 127,
 &end
#
#   31 ILE   QG2    84 LEU  HN       5.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 923, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 125, 126, 127,
 &end
#
#   31 ILE   QG2    73 GLU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 125, 126, 127,
 &end
#
#   49 ALA   QB     87 LEU  QD1      5.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40,
 igr1= 411, 412, 413,
 igr2= 990, 991, 992,
 &end
#
#   49 ALA   QB     50 ARG  HA       4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 419, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 411, 412, 413,
 &end
#
#   33 MET   QE     49 ALA  QB       4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 163, 164, 165,
 igr2= 411, 412, 413,
 &end
#
#   48 LEU   HB2    49 ALA  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 411, 412, 413,
 &end
#
#   49 ALA   QB     54 LEU  QD1      3.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 411, 412, 413,
 igr2= 490, 491, 492,
 &end
#
#   45 LEU   QD2    49 ALA  QB       4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 348, 349, 350,
 igr2= 411, 412, 413,
 &end
#
#   49 ALA   QB     87 LEU  QD2      4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 411, 412, 413,
 igr2= 994, 995, 996,
 &end
#
#   48 LEU   QD1    49 ALA  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 397, 398, 399,
 igr2= 411, 412, 413,
 &end
#
#   89 ASN   HN     90 ILE  QG2      4.79
 &rst
  ixpk= 0, nxpk= 0, iat=1014,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2=1034,1035,1036,
 &end
#
#   88 ASN   HN     90 ILE  QG2      5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1000,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2=1034,1035,1036,
 &end
#
#   83 ALA   QB     87 LEU  QD2      4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 917, 918, 919,
 igr2= 994, 995, 996,
 &end
#
#   33 MET   QE     34 LYS  HN       5.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1= 163, 164, 165,
 &end
#
#   33 MET   HN     33 MET  QE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 163, 164, 165,
 &end
#
#   33 MET   HA     33 MET  QE       4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 163, 164, 165,
 &end
#
#   33 MET   QE     70 GLY  QA       4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr1= 163, 164, 165,
 igr2= 720, 721,
 &end
#
#   33 MET   HG2    33 MET  QE       3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 163, 164, 165,
 &end
#
#   33 MET   QE     97 ILE  HB       3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 163, 164, 165,
 &end
#
#   33 MET   HB3    33 MET  QE       3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 163, 164, 165,
 &end
#
#   33 MET   QE     97 ILE  QG2      3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 163, 164, 165,
 igr2=1146,1147,1148,
 &end
#
#   33 MET   QE     45 LEU  QD2      3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 163, 164, 165,
 igr2= 348, 349, 350,
 &end
#
#   33 MET   QE     99 VAL  QG1      3.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 163, 164, 165,
 igr2=1179,1180,1181,
 &end
#
#   33 MET   QE     97 ILE  QD1      3.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 163, 164, 165,
 igr2=1153,1154,1155,
 &end
#
#   90 ILE   QD1    97 ILE  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1140, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1041,1042,1043,
 &end
#
#   90 ILE   QD1    91 GLU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1041,1042,1043,
 &end
#
#   52 ASN   HND2   90 ILE  QD1      5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2=1041,1042,1043,
 &end
#
#   52 ASN   HND1   90 ILE  QD1      4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2=1041,1042,1043,
 &end
#
#   90 ILE   HN     90 ILE  QD1      4.74
 &rst
  ixpk= 0, nxpk= 0, iat=1028,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2=1041,1042,1043,
 &end
#
#   87 LEU   HA     90 ILE  QD1      3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 983,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2=1041,1042,1043,
 &end
#
#   90 ILE   QD1    92 PHE  HB2      4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1041,1042,1043,
 &end
#
#   52 ASN   HB3    90 ILE  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 461,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1041,1042,1043,
 &end
#
#   90 ILE   HB     90 ILE  QD1      3.62
 &rst
  ixpk= 0, nxpk= 0, iat=1032,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr2=1041,1042,1043,
 &end
#
#   87 LEU   QD1    90 ILE  QD1      3.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 990, 991, 992,
 igr2=1041,1042,1043,
 &end
#
#   92 PHE   HN     97 ILE  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1062,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1153,1154,1155,
 &end
#
#   92 PHE   HD     97 ILE  QD1      4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1=1070,1078,
 igr2=1153,1154,1155,
 &end
#
#   97 ILE   HN     97 ILE  QD1      4.60
 &rst
  ixpk= 0, nxpk= 0, iat=1140,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2=1153,1154,1155,
 &end
#
#   97 ILE   QD1    98 THR  HN       4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1=1153,1154,1155,
 &end
#
#   54 LEU   QD2    83 ALA  HA       4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 494, 495, 496,
 &end
#
#   92 PHE   HB2    97 ILE  QD1      4.09
 &rst
  ixpk= 0, nxpk= 0, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2=1153,1154,1155,
 &end
#
#   31 ILE   QD1   101 ARG  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1206, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 132, 133, 134,
 &end
#
#   31 ILE   HN     31 ILE  QD1      4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 132, 133, 134,
 &end
#
#   29 TYR   HE     31 ILE  QD1      4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1=  84,  89,
 igr2= 132, 133, 134,
 &end
#
#   31 ILE   HA     31 ILE  QD1      4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2= 132, 133, 134,
 &end
#
#   31 ILE   QD1    84 LEU  HA       4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 925, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 132, 133, 134,
 &end
#
#   31 ILE   QD1    80 LEU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 132, 133, 134,
 &end
#
#   31 ILE   QD1    33 MET  HG2      4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 159, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 132, 133, 134,
 &end
#
#   31 ILE   QD1    99 VAL  QG2      3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 132, 133, 134,
 igr2=1183,1184,1185,
 &end
#
#   92 PHE   HN     92 PHE  HD       4.99
 &rst
  ixpk= 0, nxpk= 0, iat=1062,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2=1070,1078,
 &end
#
#   92 PHE   HN     96 VAL  HA       4.02
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1126, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#   92 PHE   HN     95 SER  HB2      4.63
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1117, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#   92 PHE   HN     92 PHE  HB2      3.47
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1066, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#   91 GLU   HG2    92 PHE  HN       4.37
 &rst
  ixpk= 0, nxpk= 0, iat=1054,1062, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#   35 ASN   HB3    97 ILE  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 196,1140, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   92 PHE   HN     97 ILE  HN       4.97
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1140, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#   97 ILE   HN     98 THR  HN       4.82
 &rst
  ixpk= 0, nxpk= 0, iat=1140,1159, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#   90 ILE   HN     97 ILE  HN       4.62
 &rst
  ixpk= 0, nxpk= 0, iat=1028,1140, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#   96 VAL   HA     97 ILE  HN       3.06
 &rst
  ixpk= 0, nxpk= 0, iat=1126,1140, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
#   92 PHE   HB2    97 ILE  HN       4.78
 &rst
  ixpk= 0, nxpk= 0, iat=1066,1140, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#   97 ILE   HN     97 ILE  HB       3.68
 &rst
  ixpk= 0, nxpk= 0, iat=1140,1144, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#   97 ILE   HN     97 ILE  HG13     3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1140,1151, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#   97 ILE   HN     97 ILE  HG12     3.68
 &rst
  ixpk= 0, nxpk= 0, iat=1140,1150, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#   30 ARG   HN     31 ILE  HN       5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 119, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#   29 TYR   HN     30 ARG  HN       4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  95, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   29 TYR   HD     30 ARG  HN       4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1=  82,  91,
 &end
#
#   29 TYR   HA     30 ARG  HN       3.19
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  95, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
#   29 TYR   HB3    30 ARG  HN       4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  79,  95, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#   29 TYR   HB2    30 ARG  HN       4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  95, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#   30 ARG   HN     30 ARG  HB3      3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 100, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#   30 ARG   HN     30 ARG  HB2      3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  99, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#   32 THR   HN    102 ASP  HN       4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 138,1228, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#   31 ILE   HA    102 ASP  HN       3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 121,1228, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  101 ARG   HA    102 ASP  HN       3.16
 &rst
  ixpk= 0, nxpk= 0, iat=1206,1228, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
#  101 ARG   QG    102 ASP  HN       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1211,1212,
 &end
#
#   31 ILE   QG2   102 ASP  HN       4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 125, 126, 127,
 &end
#
#   55 GLU   HN     55 GLU  HB2      3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 504, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
#   54 LEU   HB2    55 GLU  HN       3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 500, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#   92 PHE   HB2    96 VAL  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1066,1124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   92 PHE   HN     96 VAL  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   95 SER   HN     96 VAL  HN       4.05
 &rst
  ixpk= 0, nxpk= 0, iat=1113,1124, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#   95 SER   HB2    96 VAL  HN       5.31
 &rst
  ixpk= 0, nxpk= 0, iat=1117,1124, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#   96 VAL   HN     96 VAL  QG1      3.46
 &rst
  ixpk= 0, nxpk= 0, iat=1124,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2=1130,1131,1132,
 &end
#
#   41 SER   HB2    43 GLN  HN       5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 306, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#   93 ARG   HN     95 SER  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1082,1113, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   92 PHE   HN     93 ARG  HN       5.25
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1082, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#   93 ARG   HN     94 GLY  HN       4.44
 &rst
  ixpk= 0, nxpk= 0, iat=1082,1106, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#   92 PHE   HD     93 ARG  HN       4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1082, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1=1070,1078,
 &end
#
#   92 PHE   HA     93 ARG  HN       3.23
 &rst
  ixpk= 0, nxpk= 0, iat=1064,1082, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
#  103 ASP   HN    103 ASP  HB3      4.01
 &rst
  ixpk= 0, nxpk= 0, iat=1240,1245, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  103 ASP   HN    103 ASP  HB2      3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1240,1244, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  100 GLU   HA    101 ARG  HN       2.94
 &rst
  ixpk= 0, nxpk= 0, iat=1191,1204, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
#   84 LEU   QD2   101 ARG  HN       4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 936, 937, 938,
 &end
#
#   33 MET   HN     72 LEU  HN       5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 735, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#   33 MET   HN     69 THR  HB       4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 708, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#   33 MET   HN     69 THR  HA       4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 706, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#   32 THR   HA     33 MET  HN       3.13
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 152, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
#   33 MET   HN     33 MET  HB3      4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 157, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#   33 MET   HN     33 MET  HB2      3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 156, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#   33 MET   HN     99 VAL  QG1      4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2=1179,1180,1181,
 &end
#
#   62 ASN   HN     70 GLY  QA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 601,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 720, 721,
 &end
#
#   61 VAL   QG2    71 ALA  HN       4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 595, 596, 597,
 &end
#
#   28 ARG   HN     29 TYR  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  74, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 TYR   HN     29 TYR  HD       4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=  82,  91,
 &end
#
#   28 ARG   HA     29 TYR  HN       3.20
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  74, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   29 TYR   HN     29 TYR  HB3      3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  79, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#   29 TYR   HN     80 LEU  QD2      5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2= 876, 877, 878,
 &end
#
#   71 ALA   HN     72 LEU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 725, 735, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   91 GLU   HN     92 PHE  HN       4.78
 &rst
  ixpk= 0, nxpk= 0, iat=1047,1062, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#   90 ILE   HA     91 GLU  HN       2.88
 &rst
  ixpk= 0, nxpk= 0, iat=1030,1047, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,  &end
#
#   91 GLU   HN     91 GLU  HB2      2.95
 &rst
  ixpk= 0, nxpk= 0, iat=1047,1051, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
#   67 ASP   HN     68 GLY  HN       4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 685, 697, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#   66 PHE   QB     67 ASP  HN       4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 669, 670,
 &end
#
#   90 ILE   HN     91 GLU  HN       4.54
 &rst
  ixpk= 0, nxpk= 0, iat=1028,1047, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#   90 ILE   QG2    91 GLU  HN       3.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1034,1035,1036,
 &end
#
#   47 ASP   HA     48 LEU  HN       3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 388, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#   47 ASP   HB3    48 LEU  HN       3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 388, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   82 GLU   HN     83 ALA  HN       3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 898, 913, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#   80 LEU   HA     83 ALA  HN       4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 865, 913, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#   82 GLU   HB2    83 ALA  HN       3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 902, 913, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#   83 ALA   HN     83 ALA  QB       3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 913,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2= 917, 918, 919,
 &end
#
#   48 LEU   HN     48 LEU  HB3      3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 393, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
#   48 LEU   HN     48 LEU  HB2      3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 392, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   48 LEU   HN     48 LEU  QD1      4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 397, 398, 399,
 &end
#
#   82 GLU   HG3    83 ALA  HN       5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 906, 913, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#   82 GLU   HB3    83 ALA  HN       3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 903, 913, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#   41 SER   HN     44 ASP  HB3      3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 328, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#   41 SER   HN     43 GLN  QG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 313, 314,
 &end
#
#   41 SER   HN     61 VAL  QG2      5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr2= 595, 596, 597,
 &end
#
#   41 SER   HN     42 TRP  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 282, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 TYR   HD     77 GLU  HN       4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=  82,  91,
 &end
#
#   76 SER   HA     77 GLU  HN       3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 805, 814, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#   77 GLU   HN     77 GLU  HB3      3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 819, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
#   29 TYR   HE     77 GLU  HN       4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1=  84,  89,
 &end
#
#   77 GLU   HN     77 GLU  HG2      4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 821, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#   80 LEU   HN     80 LEU  HB3      3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 868, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
#   80 LEU   HN     81 VAL  HN       3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 882, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#   77 GLU   HA     80 LEU  HN       3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 816, 863, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#   80 LEU   HN     80 LEU  HB2      3.04
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 867, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
#   49 ALA   HN     49 ALA  QB       3.11
 &rst
  ixpk= 0, nxpk= 0, iat= 407,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2= 411, 412, 413,
 &end
#
#   74 PHE   HB2    80 LEU  HN       5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 773, 863, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#   89 ASN   HN     99 VAL  HN       4.13
 &rst
  ixpk= 0, nxpk= 0, iat=1014,1173, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#   89 ASN   HN     98 THR  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1014,1159, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88 ASN   HN     89 ASN  HN       4.92
 &rst
  ixpk= 0, nxpk= 0, iat=1000,1014, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#   89 ASN   HN     89 ASN  HB2      3.58
 &rst
  ixpk= 0, nxpk= 0, iat=1014,1018, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#   89 ASN   HN     99 VAL  QG2      3.88
 &rst
  ixpk= 0, nxpk= 0, iat=1014,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2=1183,1184,1185,
 &end
#
#   48 LEU   QD1    49 ALA  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 407, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 397, 398, 399,
 &end
#
#   49 ALA   HN     51 GLU  HN       4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 441, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#   51 GLU   HN     52 ASN  HN       3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 456, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#   47 ASP   HA     51 GLU  HN       4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 441, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#   50 ARG   HD2    51 GLU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 427, 441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   51 GLU   HN     51 GLU  HG2      3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 448, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#   51 GLU   HN     51 GLU  HB2      2.87
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 445, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,  &end
#
#   49 ALA   QB     51 GLU  HN       4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 411, 412, 413,
 &end
#
#   48 LEU   HG     51 GLU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 LEU   QD2    51 GLU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 401, 402, 403,
 &end
#
#   58 PHE   HN     58 PHE  HD       5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2= 551, 559,
 &end
#
#   47 ASP   HN     48 LEU  HN       3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 388, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#   46 LYS   HN     47 ASP  HN       3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 376, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#   47 ASP   HN     50 ARG  HD3      4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 428, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#   46 LYS   QB     47 ASP  HN       3.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr1= 358, 359,
 &end
#
#   47 ASP   HN     49 ALA  QB       4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr2= 411, 412, 413,
 &end
#
#   46 LYS   HG2    47 ASP  HN       5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 376, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
#   57 THR   HN     58 PHE  HN       3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 543, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#   58 PHE   HN     73 GLU  HN       4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 754, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#   56 THR   HB     58 PHE  HN       3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 543, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#   57 THR   QG2    58 PHE  HN       4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 535, 536, 537,
 &end
#
#   50 ARG   HN     51 GLU  HN       3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 441, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#   49 ALA   HN     50 ARG  HN       3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 417, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#   50 ARG   HN     50 ARG  HD2      5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 427, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#   49 ALA   QB     50 ARG  HN       3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 411, 412, 413,
 &end
#
#   27 LYS   HA     28 ARG  HN       3.04
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  50, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
#   28 ARG   HN     28 ARG  HG3      3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  58, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#   34 LYS   HN     34 LYS  QE       5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2= 182, 183,
 &end
#
#   50 ARG   HN     52 ASN  HN       4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 456, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#   50 ARG   HN     50 ARG  QB       2.89
 &rst
  ixpk= 0, nxpk= 0, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 421, 422,
 &end
#
#   28 ARG   HN     28 ARG  QD       4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2=  60,  61,
 &end
#
#   34 LYS   HN     98 THR  HN       4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 169,1159, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#   34 LYS   HN     99 VAL  HA       4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 169,1175, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#   33 MET   HA     34 LYS  HN       3.15
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 169, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
#   33 MET   HB3    34 LYS  HN       3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 169, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#   34 LYS   HN     34 LYS  QG       3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 176, 177,
 &end
#
#   34 LYS   HN     99 VAL  QG1      4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=1179,1180,1181,
 &end
#
#   38 GLU   HN     38 GLU  QB       2.90
 &rst
  ixpk= 0, nxpk= 0, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 242, 243,
 &end
#
#   82 GLU   HN     84 LEU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 898, 923, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   79 ILE   HA     82 GLU  HN       3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 898, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#   82 GLU   HN     82 GLU  HG3      3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 898, 906, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#   82 GLU   HN     82 GLU  HB3      2.88
 &rst
  ixpk= 0, nxpk= 0, iat= 898, 903, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,  &end
#
#   81 VAL   QG1    82 GLU  HN       3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 898, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1= 888, 889, 890,
 &end
#
#   42 TRP   HN     44 ASP  HN       4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 323, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#   41 SER   HB2    42 TRP  HN       4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 282, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#   42 TRP   HN     61 VAL  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 587, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 TRP   HN     61 VAL  QG2      4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 595, 596, 597,
 &end
#
#   44 ASP   HN     45 LEU  HN       3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 335, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#   44 ASP   HN     44 ASP  HB3      3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 328, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#   44 ASP   HN     44 ASP  HB2      3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 327, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#   41 SER   HN     44 ASP  HN       4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 323, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#   39 GLY   HN     40 CYS  HN       4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 260, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#   43 GLN   QG     44 ASP  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 313, 314,
 &end
#
#   78 GLU   HN     79 ILE  HN       3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 844, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#   77 GLU   HA     79 ILE  HN       4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 816, 844, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#   79 ILE   HN     79 ILE  HG13     3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 844, 855, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   79 ILE   HN     79 ILE  QG2      3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 844,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 850, 851, 852,
 &end
#
#   76 SER   HN     79 ILE  HN       5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 803, 844, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   52 ASN   HN     54 LEU  HN       4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 481, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#   53 SER   HA     54 LEU  HN       3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 481, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
#   49 ALA   QB     54 LEU  HN       3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 411, 412, 413,
 &end
#
#   44 ASP   HA     46 LYS  HN       5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 354, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#   46 LYS   HN     61 VAL  QG2      5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr2= 595, 596, 597,
 &end
#
#   52 ASN   HB3    54 LEU  HN       5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 461, 481, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#   54 LEU   HN     54 LEU  HB2      3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 485, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   54 LEU   HN     54 LEU  QD2      4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 494, 495, 496,
 &end
#
#   66 PHE   HN     66 PHE  QB       3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2= 669, 670,
 &end
#
#   46 LYS   HN     46 LYS  QB       2.99
 &rst
  ixpk= 0, nxpk= 0, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 358, 359,
 &end
#
#   45 LEU   HB2    46 LYS  HN       3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 354, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  101 ARG   HB3   104 ASN  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1209,1252, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 ASP   HB3    66 PHE  HN       4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 658, 665, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#  104 ASN   HN    104 ASN  HB2      3.82
 &rst
  ixpk= 0, nxpk= 0, iat=1252,1256, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#   34 LYS   QE    100 GLU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 182, 183,
 &end
#
#   61 VAL   HN     71 ALA  HN       5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 725, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#   32 THR   HA    100 GLU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 140,1189, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 THR   HN    100 GLU  HN       3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 138,1189, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#   99 VAL   HA    100 GLU  HN       3.03
 &rst
  ixpk= 0, nxpk= 0, iat=1175,1189, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
#   33 MET   HA    100 GLU  HN       4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 154,1189, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#   31 ILE   HB    100 GLU  HN       3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 123,1189, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
#   99 VAL   QG1   100 GLU  HN       3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1179,1180,1181,
 &end
#
#   60 SER   QB     61 VAL  HN       4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 585, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 578, 579,
 &end
#
#   33 MET   HN    100 GLU  HN       5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 152,1189, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#   29 TYR   HB2    31 ILE  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  78, 119, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   73 GLU   HA     74 PHE  HN       3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 756, 769, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#   73 GLU   QG     74 PHE  HN       3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 761, 762,
 &end
#
#   31 ILE   HN     72 LEU  HN       4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 119, 735, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#   30 ARG   HA     31 ILE  HN       3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 119, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#   31 ILE   HN     31 ILE  HG12     3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 119, 129, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#   31 ILE   HN     31 ILE  QG2      3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 125, 126, 127,
 &end
#
#   78 GLU   HA     81 VAL  HN       4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 831, 882, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#   58 PHE   HB2    59 SER  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 563, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 ILE   QD1    32 THR  HN       4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 132, 133, 134,
 &end
#
#   81 VAL   HN     81 VAL  HB       2.98
 &rst
  ixpk= 0, nxpk= 0, iat= 882, 886, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
#   80 LEU   HG     81 VAL  HN       3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 870, 882, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#   32 THR   HN    101 ARG  HA       4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 138,1206, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   32 THR   HN    102 ASP  HB2      4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 138,1232, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#   31 ILE   HB     32 THR  HN       3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 123, 138, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#   45 LEU   HN     47 ASP  HN       5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 376, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#   44 ASP   HB3    45 LEU  HN       3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 335, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#   44 ASP   HB2    45 LEU  HN       4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 335, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#   45 LEU   HN     45 LEU  HB3      3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 340, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#   45 LEU   HN     45 LEU  HG       3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 342, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#   45 LEU   HN     45 LEU  HB2      3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 339, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#   41 SER   HN     45 LEU  HN       5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 335, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
#   71 ALA   HA     72 LEU  HN       3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 735, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
#   72 LEU   HN     72 LEU  HB3      3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 740, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#   92 PHE   HN     95 SER  HN       3.76
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1113, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#   95 SER   HN     95 SER  HB2      3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1113,1117, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   31 ILE   QD1    72 LEU  HN       4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 735, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 132, 133, 134,
 &end
#
#   91 GLU   HG2    95 SER  HN       4.25
 &rst
  ixpk= 0, nxpk= 0, iat=1054,1113, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#   77 GLU   HN     78 GLU  HN       3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 829, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#   92 PHE   HB2    95 SER  HN       4.19
 &rst
  ixpk= 0, nxpk= 0, iat=1066,1113, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#   78 GLU   HN     78 GLU  HB2      2.98
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 833, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
#   57 THR   HN     73 GLU  HN       4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 754, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   58 PHE   HD     73 GLU  HN       5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 551, 559,
 &end
#
#   72 LEU   HA     73 GLU  HN       3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 737, 754, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#   73 GLU   HN     73 GLU  QG       4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 761, 762,
 &end
#
#   72 LEU   HB2    73 GLU  HN       3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 739, 754, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#   62 ASN   HB2    63 THR  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 605, 615, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 ASN   HB3    63 THR  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 615, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 THR   HB     73 GLU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 754, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 ASN   HN     53 SER  HN       3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 470, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#   50 ARG   HA     52 ASN  HN       4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 456, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#   52 ASN   HN     52 ASN  HB3      3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 461, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#   51 GLU   HB2    52 ASN  HN       3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 456, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#   49 ALA   QB     52 ASN  HN       5.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1= 411, 412, 413,
 &end
#
#   86 ARG   HN     88 ASN  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 957,1000, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#   83 ALA   HN     84 LEU  HN       3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 913, 923, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#   84 LEU   HN     85 GLU  HN       3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 923, 942, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#   81 VAL   HA     84 LEU  HN       4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 923, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#   84 LEU   HN     84 LEU  HG       3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 923, 930, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
#   84 LEU   HN     84 LEU  HB2      3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 923, 927, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#   83 ALA   QB     84 LEU  HN       3.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 923, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1= 917, 918, 919,
 &end
#
#   48 LEU   QD2    52 ASN  HN       4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 401, 402, 403,
 &end
#
#   85 GLU   HN     86 ARG  HN       3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 942, 957, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#   85 GLU   HN     85 GLU  QB       2.99
 &rst
  ixpk= 0, nxpk= 0, iat= 942,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 946, 947,
 &end
#
#   84 LEU   HB2    85 GLU  HN       4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 927, 942, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#   34 LYS   HA     35 ASN  HN       3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 191, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   35 ASN   HN     35 ASN  HB2      4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 195, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#   58 PHE   HD     60 SER  HN       5.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 551, 559,
 &end
#
#   58 PHE   HE     60 SER  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 553, 557,
 &end
#
#   60 SER   HN     71 ALA  HN       4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 574, 725, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#   59 SER   HA     60 SER  HN       3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 574, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#   60 SER   HN     60 SER  QB       4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 578, 579,
 &end
#
#   60 SER   HN     61 VAL  QG2      4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 595, 596, 597,
 &end
#
#   48 LEU   QD1    52 ASN  HND1     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 465, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 397, 398, 399,
 &end
#
#   89 ASN   HA     90 ILE  HN       3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1016,1028, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   90 ILE   HN     90 ILE  QG2      3.49
 &rst
  ixpk= 0, nxpk= 0, iat=1028,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2=1034,1035,1036,
 &end
#
#   89 ASN   HN     90 ILE  HN       3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1014,1028, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 GLU   HN     52 ASN  HND2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 466, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 LEU   HG     52 ASN  HND2     5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 466, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
#   48 LEU   QD2    52 ASN  HND2     3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 466, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 401, 402, 403,
 &end
#
#   48 LEU   QD1    52 ASN  HND2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 466, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 397, 398, 399,
 &end
#
#   52 ASN   HND1   87 LEU  HG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 988, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 ASN   HND1   87 LEU  QD2      4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 994, 995, 996,
 &end
#
#   48 LEU   QD2    52 ASN  HND1     3.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 465, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 401, 402, 403,
 &end
#
#   88 ASN   HN     90 ILE  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1000,1028, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 ASN   HB2    52 ASN  HND2     3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 460, 466, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#   51 GLU   HB2    52 ASN  HND2     4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 466, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#   88 ASN   HN     99 VAL  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1000,1173, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   84 LEU   HA     99 VAL  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 925,1173, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  104 ASN   HA    104 ASN  HND2     5.06
 &rst
  ixpk= 0, nxpk= 0, iat=1254,1262, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#   98 THR   HA     99 VAL  HN       3.04
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1173, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
#   88 ASN   HB2    99 VAL  HN       4.42
 &rst
  ixpk= 0, nxpk= 0, iat=1004,1173, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#   99 VAL   HN     99 VAL  QG2      3.45
 &rst
  ixpk= 0, nxpk= 0, iat=1173,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2=1183,1184,1185,
 &end
#
#  104 ASN   HA    104 ASN  HND1     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1254,1261, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 GLN   QG     62 ASN  HND2     5.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 313, 314,
 &end
#
#   87 LEU   HN     88 ASN  HN       3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 981,1000, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
#   88 ASN   HN     88 ASN  HB2      2.90
 &rst
  ixpk= 0, nxpk= 0, iat=1000,1004, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   87 LEU   HB3    88 ASN  HN       4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 986,1000, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#   88 ASN   HN     99 VAL  QG2      3.74
 &rst
  ixpk= 0, nxpk= 0, iat=1000,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1183,1184,1185,
 &end
#
#   35 ASN   HB3    98 THR  HN       3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 196,1159, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
#   35 ASN   HB2    98 THR  HN       3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 195,1159, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#   35 ASN   HND2   96 VAL  QG2      4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2=1134,1135,1136,
 &end
#
#   35 ASN   HND1   96 VAL  HN       4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 200,1124, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#   35 ASN   HB3    35 ASN  HND1     3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 196, 200, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#   35 ASN   HND1   96 VAL  HB       5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 200,1128, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#   97 ILE   HB     98 THR  HN       3.74
 &rst
  ixpk= 0, nxpk= 0, iat=1144,1159, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#   89 ASN   HND2   98 THR  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1024,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1165,1166,1167,
 &end
#
#   89 ASN   HND1   98 THR  HN       5.32
 &rst
  ixpk= 0, nxpk= 0, iat=1023,1159, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
#   89 ASN   HND1   90 ILE  HN       5.08
 &rst
  ixpk= 0, nxpk= 0, iat=1023,1028, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#   89 ASN   HND2   96 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1024,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1134,1135,1136,
 &end
#
#   89 ASN   HB2    89 ASN  HND1     3.54
 &rst
  ixpk= 0, nxpk= 0, iat=1018,1023, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#   89 ASN   HB2    89 ASN  HND2     4.02
 &rst
  ixpk= 0, nxpk= 0, iat=1018,1024, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#   89 ASN   HND1   98 THR  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1165,1166,1167,
 &end
#
#   38 GLU   QB     39 GLY  HN       5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 242, 243,
 &end
#
#   85 GLU   HN     87 LEU  HN       4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 942, 981, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#   88 ASN   HND2   99 VAL  HN       5.23
 &rst
  ixpk= 0, nxpk= 0, iat=1010,1173, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#   88 ASN   HB2    88 ASN  HND2     4.06
 &rst
  ixpk= 0, nxpk= 0, iat=1004,1010, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#   88 ASN   HND2   99 VAL  QG2      4.99
 &rst
  ixpk= 0, nxpk= 0, iat=1010,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1183,1184,1185,
 &end
#
#   88 ASN   HND1   98 THR  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1009,1161, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88 ASN   HB2    88 ASN  HND1     3.58
 &rst
  ixpk= 0, nxpk= 0, iat=1004,1009, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#   88 ASN   HND1   98 THR  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1009,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1165,1166,1167,
 &end
#
#   88 ASN   HND1   99 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1009,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1183,1184,1185,
 &end
#
#   86 ARG   HN     87 LEU  HN       3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 957, 981, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#   87 LEU   HN     87 LEU  HB3      3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 981, 986, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
#   87 LEU   HN     87 LEU  HB2      4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 981, 985, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#   87 LEU   HN     99 VAL  QG2      4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 981,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2=1183,1184,1185,
 &end
#
#   56 THR   HN     57 THR  HN       5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 529, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#   57 THR   HN     57 THR  QG2      4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2= 535, 536, 537,
 &end
#
#   51 GLU   HN     53 SER  HN       5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 470, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#   53 SER   HN     53 SER  HA       2.82
 &rst
  ixpk= 0, nxpk= 0, iat= 470, 472, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
#   53 SER   HN     54 LEU  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 470, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 ASN   HB2    53 SER  HN       4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 460, 470, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#   49 ALA   QB     53 SER  HN       5.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 411, 412, 413,
 &end
#
#   53 SER   HN     54 LEU  QD2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 494, 495, 496,
 &end
#
#   55 GLU   HA     56 THR  HN       3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 515, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   54 LEU   QD1    56 THR  HN       4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 490, 491, 492,
 &end
#
#   69 THR   HN     69 THR  QG2      3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 710, 711, 712,
 &end
#
#   68 GLY   HN     69 THR  HN       3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 697, 704, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#   67 ASP   HN     69 THR  HN       4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 685, 704, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#   45 LEU   QD1    69 THR  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 344, 345, 346,
 &end
#
#   34 LYS   HN     70 GLY  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 718, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 THR   HN     70 GLY  HN       5.44
 &rst
  ixpk= 0, nxpk= 0, iat= 704, 718, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
#   69 THR   HA     70 GLY  HN       3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 706, 718, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#   34 LYS   HA     70 GLY  HN       4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 718, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#   33 MET   HB3    70 GLY  HN       4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 718, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#   33 MET   HB2    70 GLY  HN       4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 156, 718, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#   69 THR   QG2    70 GLY  HN       4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 710, 711, 712,
 &end
#
#   74 PHE   HA     76 SER  HN       4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 771, 803, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   76 SER   HN     77 GLU  HA       5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 803, 816, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   74 PHE   HB2    76 SER  HN       4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 773, 803, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#   76 SER   HN     79 ILE  HB       4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 803, 848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   94 GLY   HN     95 SER  HN       3.91
 &rst
  ixpk= 0, nxpk= 0, iat=1106,1113, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#   92 PHE   HA     94 GLY  HN       4.62
 &rst
  ixpk= 0, nxpk= 0, iat=1064,1106, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#   92 PHE   HB2    94 GLY  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1066,1106, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   91 GLU   HG2    94 GLY  HN       4.23
 &rst
  ixpk= 0, nxpk= 0, iat=1054,1106, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#   93 ARG   QB     94 GLY  HN       5.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1106, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1=1086,1087,
 &end
#
#   42 TRP   HD1    58 PHE  HA       5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 545, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#   42 TRP   HA     42 TRP  HD1      5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 290, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#   34 LYS   QG     66 PHE  HD       4.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 176, 177,
 igr2= 673, 681,
 &end
#
#   44 ASP   HA     92 PHE  HE       4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 325,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2=1072,1076,
 &end
#
#   34 LYS   HB3    66 PHE  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 675, 679,
 &end
#
#   45 LEU   QD2    92 PHE  HE       4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 348, 349, 350,
 igr2=1072,1076,
 &end
#
#   92 PHE   HE     97 ILE  QD1      5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1072,1076,
 igr2=1153,1154,1155,
 &end
#
#   66 PHE   QB     66 PHE  HZ       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 677, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 669, 670,
 &end
#
#   61 VAL   HA     62 ASN  HND1     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 587, 610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 ASN   HA     66 PHE  HZ       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 677, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 GLU   HA     66 PHE  HZ       5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 677, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#   52 ASN   HND1   90 ILE  HB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 465,1032, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 LEU   HB3    52 ASN  HND1     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 465, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 LEU   QD2    92 PHE  HD       5.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1= 401, 402, 403,
 igr2=1070,1078,
 &end
#
#   90 ILE   QD1    92 PHE  HD       5.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr1=1041,1042,1043,
 igr2=1070,1078,
 &end
#
#   92 PHE   HD     97 ILE  HG12     4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1150, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1=1070,1078,
 &end
#
#   58 PHE   HE     60 SER  QB       4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 553, 557,
 igr2= 578, 579,
 &end
#
#   29 TYR   HD     80 LEU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  82,  91,
 &end
#
#   45 LEU   HG     92 PHE  HZ       5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 342,1074, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#   27 LYS   HB2    29 TYR  HD       4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2=  82,  91,
 &end
#
#   29 TYR   HD     31 ILE  QG2      4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1=  82,  91,
 igr2= 125, 126, 127,
 &end
#
#   29 TYR   HA     29 TYR  HD       4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2=  82,  91,
 &end
#
#   27 LYS   HA     29 TYR  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  82,  91,
 &end
#
#   29 TYR   HD     76 SER  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  82,  91,
 &end
#
#   42 TRP   HH2    46 LYS  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 358, 359,
 &end
#
#   42 TRP   HH2    54 LEU  HB3      5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 486, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   42 TRP   HH2    72 LEU  HG       5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 742, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#   42 TRP   HH2    46 LYS  HG3      5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 362, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#   42 TRP   HH2    46 LYS  HG2      5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 361, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#   42 TRP   HH2    54 LEU  QD1      4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 490, 491, 492,
 &end
#
#   42 TRP   HH2    46 LYS  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 356, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 TRP   HH2    72 LEU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 737, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 TRP   HH2    58 PHE  HA       5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 545, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#   58 PHE   HD     73 GLU  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 758, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 551, 559,
 &end
#
#   57 THR   HA     58 PHE  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 551, 559,
 &end
#
#   57 THR   HB     58 PHE  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 533,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 551, 559,
 &end
#
#   58 PHE   HD     60 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= 551, 559,
 igr2= 578, 579,
 &end
#
#   84 LEU   HA     88 ASN  HND1     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 925,1009, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 TYR   HE     76 SER  HA       4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 805, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1=  84,  89,
 &end
#
#   29 TYR   HE     80 LEU  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  84,  89,
 &end
#
#   29 TYR   HE     77 GLU  HB3      5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=  84,  89,
 &end
#
#   29 TYR   HE     31 ILE  HG12     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  84,  89,
 &end
#
#   29 TYR   HE     79 ILE  HG12     5.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1=  84,  89,
 &end
#
#   29 TYR   HE     31 ILE  QG2      4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1=  84,  89,
 igr2= 125, 126, 127,
 &end
#
#   61 VAL   QG1    69 THR  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 591, 592, 593,
 &end
#
#   34 LYS   HB3    69 THR  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 706, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 GLY   HA2    69 THR  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 699, 706, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   98 THR   QG2    99 VAL  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1175, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1165,1166,1167,
 &end
#
#   84 LEU   HA     99 VAL  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 925,1175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ARG   HA     80 LEU  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 872, 873, 874,
 &end
#
#   73 GLU   HA     74 PHE  HA       4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 756, 771, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#   58 PHE   HE     73 GLU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 553, 557,
 &end
#
#   29 TYR   HD     73 GLU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  82,  91,
 &end
#
#   73 GLU   HB3    74 PHE  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 759, 771, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   74 PHE   HA     79 ILE  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 857, 858, 859,
 &end
#
#   31 ILE   HA    100 GLU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 121,1191, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 ILE   HA     32 THR  HB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 142, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 THR   HA     74 PHE  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 771, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 GLU   HG3    56 THR  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 517, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 THR   HA     79 ILE  HG13     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 855, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 THR   HA     74 PHE  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 773, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 PHE   HE     60 SER  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 576, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 553, 557,
 &end
#
#   58 PHE   HD     59 SER  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 551, 559,
 &end
#
#   97 ILE   QG2    98 THR  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1161, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1146,1147,1148,
 &end
#
#   35 ASN   HB2    98 THR  HA       5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 195,1161, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#   92 PHE   HA     92 PHE  HE       4.93
 &rst
  ixpk= 0, nxpk= 0, iat=1064,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2=1072,1076,
 &end
#
#   92 PHE   HA     97 ILE  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1064,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1153,1154,1155,
 &end
#
#   92 PHE   HA     96 VAL  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1064,1126, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   90 ILE   HB     92 PHE  HA       5.29
 &rst
  ixpk= 0, nxpk= 0, iat=1032,1064, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#   91 GLU   HG2    92 PHE  HA       5.24
 &rst
  ixpk= 0, nxpk= 0, iat=1054,1064, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#   32 THR   HA     33 MET  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 154, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 THR   HA     34 LYS  QE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 182, 183,
 &end
#
#   58 PHE   HD     72 LEU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 737, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 551, 559,
 &end
#
#   54 LEU   QD1    72 LEU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 737, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 490, 491, 492,
 &end
#
#   32 THR   HA     99 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1179,1180,1181,
 &end
#
#   60 SER   QB     72 LEU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 737, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 578, 579,
 &end
#
#   32 THR   QG2    34 LYS  HA       4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 171, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 144, 145, 146,
 &end
#
#   33 MET   HA     34 LYS  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 171, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 TYR   HA     30 ARG  HB3      4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  76, 100, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#   27 LYS   QE     29 TYR  HA       4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1=  41,  42,
 &end
#
#   58 PHE   HA     58 PHE  HD       5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 551, 559,
 &end
#
#   58 PHE   HA     72 LEU  QD1      4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 744, 745, 746,
 &end
#
#   88 ASN   HA     90 ILE  QG2      4.10
 &rst
  ixpk= 0, nxpk= 0, iat=1002,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=1034,1035,1036,
 &end
#
#   88 ASN   HA     99 VAL  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1002,1175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 GLU   QG     40 CYS  HA       4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 245, 246,
 &end
#
#   91 GLU   HG3    96 VAL  HA       4.97
 &rst
  ixpk= 0, nxpk= 0, iat=1055,1126, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#   96 VAL   HA     97 ILE  HG13     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1126,1151, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 CYS   HA     92 PHE  HE       5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2=1072,1076,
 &end
#
#   90 ILE   HA     96 VAL  QG2      4.91
 &rst
  ixpk= 0, nxpk= 0, iat=1030,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2=1134,1135,1136,
 &end
#
#   60 SER   QB     61 VAL  HA       4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 578, 579,
 &end
#
#   47 ASP   HA     51 GLU  HG3      5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 449, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#   47 ASP   HA     51 GLU  HG2      4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 448, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#   46 LYS   QB     47 ASP  HA       4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 378, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 358, 359,
 &end
#
#   50 ARG   HD3    55 GLU  HA       4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 502, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   35 ASN   HA     66 PHE  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 675, 679,
 &end
#
#   50 ARG   HA     55 GLU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 GLU   HA     55 GLU  HG2      3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 507, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#   34 LYS   HB3    35 ASN  HA       3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 193, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#  101 ARG   HA    101 ARG  QG       3.82
 &rst
  ixpk= 0, nxpk= 0, iat=1206,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2=1211,1212,
 &end
#
#   34 LYS   HD2    35 ASN  HA       3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 193, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#   34 LYS   QG     35 ASN  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 176, 177,
 &end
#
#   35 ASN   HA     98 THR  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1165,1166,1167,
 &end
#
#   34 LYS   HB2    69 THR  HB       4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 708, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#   34 LYS   HB3    69 THR  HB       4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 708, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#   76 SER   HA     78 GLU  HG3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 805, 837, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 SER   HB3    61 VAL  HB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 589, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 LYS   QD     28 ARG  HA       4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  52, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1=  38,  39,
 &end
#
#   34 LYS   HD3    98 THR  HB       4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 180,1163, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#   28 ARG   HA     29 TYR  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  84,  89,
 &end
#
#   34 LYS   HD2    98 THR  HB       4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 179,1163, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#   85 GLU   HA     86 ARG  QD       4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 967, 968,
 &end
#
#   42 TRP   HD1    43 GLN  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 308, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 GLY   HA3    69 THR  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 700, 706, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 VAL   QG1    68 GLY  HA3      4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 591, 592, 593,
 &end
#
#   39 GLY   HA3    66 PHE  HZ       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 677, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 LYS   HA     27 LYS  QE       5.39
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=  41,  42,
 &end
#
#   41 SER   HA     42 TRP  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 273, 284, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 ARG   HA     50 ARG  HD3      4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 428, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#   50 ARG   HA     50 ARG  HD2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 427, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 TRP   HA     61 VAL  HB       4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 589, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   29 TYR   HE     76 SER  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  84,  89,
 &end
#
#   32 THR   HB    102 ASP  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 142,1230, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   95 SER   HB3    96 VAL  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1118,1126, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 LEU   HA     92 PHE  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1072,1076,
 &end
#
#   48 LEU   HA     92 PHE  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1070,1078,
 &end
#
#   48 LEU   HA     92 PHE  HZ       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 390,1074, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 LEU   HA     51 GLU  HB2      3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 445, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#   81 VAL   HA     82 GLU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 900, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 ALA   HA     54 LEU  HG       4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 488, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#   61 VAL   HB     70 GLY  QA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 589,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 720, 721,
 &end
#
#   33 MET   HG3    70 GLY  QA       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 720, 721,
 &end
#
#   44 ASP   HB2    45 LEU  HA       4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 337, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#   45 LEU   HA     49 ALA  QB       4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr2= 411, 412, 413,
 &end
#
#   45 LEU   HA     92 PHE  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1072,1076,
 &end
#
#   45 LEU   HA     92 PHE  HZ       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 337,1074, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 SER   HB2    61 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 595, 596, 597,
 &end
#
#   40 CYS   HB3    45 LEU  HA       5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 337, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#   45 LEU   HA     45 LEU  QD2      5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr2= 348, 349, 350,
 &end
#
#   42 TRP   HZ2    59 SER  HB3      4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 295, 568, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#   42 TRP   HZ3    59 SER  HB3      5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 568, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   78 GLU   HA     82 GLU  HG2      4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 831, 905, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#   42 TRP   HH2    59 SER  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 568, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   84 LEU   HA     88 ASN  HA       4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 925,1002, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#   76 SER   HB2    78 GLU  HG3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 807, 837, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 TYR   HE     76 SER  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  84,  89,
 &end
#
#   76 SER   HB2    78 GLU  HB2      4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 807, 833, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#   66 PHE   HE     68 GLY  HA2      5.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 675, 679,
 &end
#
#   59 SER   HB2    70 GLY  QA       4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 720, 721,
 &end
#
#   95 SER   HB2    96 VAL  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1117,1126, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   92 PHE   HB3    95 SER  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1067,1117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   91 GLU   HG2    94 GLY  HA2      4.82
 &rst
  ixpk= 0, nxpk= 0, iat=1054,1108, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#   39 GLY   HA2    69 THR  QG2      5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 255,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2= 710, 711, 712,
 &end
#
#   39 GLY   HA2    66 PHE  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 255,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 675, 679,
 &end
#
#   39 GLY   HA2    66 PHE  HZ       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 255, 677, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 ASN   HB3    97 ILE  HG12     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 196,1150, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 TRP   HB3    61 VAL  QG2      3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 595, 596, 597,
 &end
#
#   43 GLN   HA     44 ASP  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 328, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
# 040507 5.5-6, 6-6.5  
#
#   40 CYS   HB3    44 ASP  HB3      4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 328, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#   44 ASP   HB3    45 LEU  QD2      5.44
 &rst
  ixpk= 0, nxpk= 0, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr2= 348, 349, 350,
 &end
#
#   44 ASP   HB3    45 LEU  QD1      5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2= 344, 345, 346,
 &end
#
#   44 ASP   HB3    92 PHE  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1072,1076,
 &end
#
#   42 TRP   HZ2    50 ARG  HD3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 295, 428, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 TRP   HH2    50 ARG  HD3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 428, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 LYS   HG2    50 ARG  HD3      4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 428, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#   80 LEU   QD1   101 ARG  HD3      4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1215, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 872, 873, 874,
 &end
#
#   30 ARG   QD     73 GLU  QG       5.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1= 105, 106,
 igr2= 761, 762,
 &end
#
#   29 TYR   HB3    77 GLU  HA       4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  79, 816, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#   30 ARG   QD     73 GLU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 105, 106,
 &end
#
#   30 ARG   QD     31 ILE  HG13     4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 105, 106,
 &end
#
#  101 ARG   HD2   104 ASN  HND1     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1214,1261, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 ILE   QG2    80 LEU  HA       4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 125, 126, 127,
 &end
#
#   42 TRP   HB2    61 VAL  QG2      4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 595, 596, 597,
 &end
#
#   80 LEU   HA     84 LEU  QD2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 936, 937, 938,
 &end
#
#   79 ILE   QG2    80 LEU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 850, 851, 852,
 &end
#
#   29 TYR   HE     80 LEU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  84,  89,
 &end
#
#   80 LEU   HA     84 LEU  HG       4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 865, 930, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#   42 TRP   HB2    43 GLN  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 308, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 ASP   HB3    66 PHE  QB       4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 658,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 669, 670,
 &end
#
#   42 TRP   HH2    46 LYS  HD3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 365, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 CYS   HB3    45 LEU  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 344, 345, 346,
 &end
#
#   83 ALA   HA     86 ARG  QD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 967, 968,
 &end
#
#   40 CYS   HB3    92 PHE  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1070,1078,
 &end
#
#   88 ASN   HND1   89 ASN  HB3      5.47
 &rst
  ixpk= 0, nxpk= 0, iat=1009,1019, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#   27 LYS   QE     29 TYR  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  41,  42,
 igr2=  84,  89,
 &end
#
#   88 ASN   HB3    90 ILE  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1005,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1034,1035,1036,
 &end
#
#   29 TYR   HB2    73 GLU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  78, 756, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88 ASN   HB2    99 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1004,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1179,1180,1181,
 &end
#
#   34 LYS   HA     35 ASN  HB2      5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 195, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#   41 SER   HB3    62 ASN  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 605, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ASP   HB2    92 PHE  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1072,1076,
 &end
#
#   52 ASN   HB3    86 ARG  HG3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 461, 965, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ASP   HB2    45 LEU  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 344, 345, 346,
 &end
#
#   74 PHE   HB2    79 ILE  HG13     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 773, 855, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ARG   HA    102 ASP  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  97,1233, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ARG   QD    102 ASP  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1233, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 105, 106,
 &end
#
#   43 GLN   QG     44 ASP  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 325, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 313, 314,
 &end
#
#   30 ARG   QD    102 ASP  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1232, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 105, 106,
 &end
#
#   49 ALA   HA     52 ASN  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 460, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 GLU   HG3    79 ILE  QD1      5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2= 857, 858, 859,
 &end
#
#   57 THR   HB     58 PHE  HB2      4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 547, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#   33 MET   HG3    72 LEU  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 740, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 MET   HG3    99 VAL  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 160,1175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 MET   HG2    99 VAL  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 159,1175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   84 LEU   HA     85 GLU  HG3      5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 925, 950, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   55 GLU   HG2    56 THR  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 517, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 TYR   HD     80 LEU  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  82,  91,
 &end
#
#   38 GLU   QG     40 CYS  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 245, 246,
 &end
#
#   38 GLU   QG     92 PHE  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 245, 246,
 igr2=1070,1078,
 &end
#
#   29 TYR   HD     73 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=  82,  91,
 igr2= 761, 762,
 &end
#
#   58 PHE   HD     73 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= 551, 559,
 igr2= 761, 762,
 &end
#
#   29 TYR   HE     73 GLU  QG       5.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1=  84,  89,
 igr2= 761, 762,
 &end
#
#   73 GLU   QG     74 PHE  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 771, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 761, 762,
 &end
#
#   30 ARG   HA     73 GLU  QG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 761, 762,
 &end
#
#   91 GLU   HB3    92 PHE  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1052,1064, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   91 GLU   HB3    96 VAL  HA       4.78
 &rst
  ixpk= 0, nxpk= 0, iat=1052,1126, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#   42 TRP   HZ3    45 LEU  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 340, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 LEU   HB3    59 SER  HB3      5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 568, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#  101 ARG   HB2   101 ARG  HD2      4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1208,1214, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   33 MET   QE     42 TRP  HZ3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 299, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 163, 164, 165,
 &end
#
#   33 MET   QE     71 ALA  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 727, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 163, 164, 165,
 &end
#
#   48 LEU   QD1    90 ILE  HB       4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1032, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 397, 398, 399,
 &end
#
#   33 MET   QE     99 VAL  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1175, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 163, 164, 165,
 &end
#
#   33 MET   QE     45 LEU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 163, 164, 165,
 &end
#
#   83 ALA   HA     86 ARG  HG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 964, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  101 ARG   QG    104 ASN  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1211,1212,
 &end
#
#   33 MET   HA     34 LYS  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 173, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 LYS   QD     29 TYR  HB2      5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=  38,  39,
 &end
#
#   92 PHE   HD     93 ARG  QB       4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1=1070,1078,
 igr2=1086,1087,
 &end
#
#   45 LEU   HG     92 PHE  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 342,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1072,1076,
 &end
#
#   33 MET   HG3    72 LEU  HG       5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 742, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
#   48 LEU   QD1    97 ILE  HG13     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 397, 398, 399,
 &end
#
#   33 MET   HB2    69 THR  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 156, 706, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 LYS   HB3    77 GLU  HB3      3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  33, 819, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#   34 LYS   HD3    35 ASN  HA       5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 193, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
#   34 LYS   HD3    35 ASN  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 TYR   HE     80 LEU  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 867, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  84,  89,
 &end
#
#   31 ILE   HG13   33 MET  HG3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 160, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 ASP   HB3    69 THR  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 658, 706, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   78 GLU   HA     79 ILE  HG13     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 831, 855, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 ASP   HB3    66 PHE  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 658,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 675, 679,
 &end
#
#   42 TRP   HZ2    46 LYS  HG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 295, 361, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 THR   HB     71 ALA  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 142,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 729, 730, 731,
 &end
#
#   48 LEU   QD1    90 ILE  HG13     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1039, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 397, 398, 399,
 &end
#
#   32 THR   HA     34 LYS  QG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 176, 177,
 &end
#
#   34 LYS   QG     66 PHE  HE       5.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 176, 177,
 igr2= 675, 679,
 &end
#
#   34 LYS   QG     66 PHE  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 176, 177,
 igr2= 669, 670,
 &end
#
#   32 THR   QG2    69 THR  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 144, 145, 146,
 &end
#
#   32 THR   QG2   100 GLU  QG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 144, 145, 146,
 igr2=1196,1197,
 &end
#
#   27 LYS   QG     29 TYR  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  35,  36,
 igr2=  82,  91,
 &end
#
#   74 PHE   HA     79 ILE  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 850, 851, 852,
 &end
#
#   29 TYR   HE     79 ILE  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  84,  89,
 igr2= 850, 851, 852,
 &end
#
#   92 PHE   HE     97 ILE  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1072,1076,
 igr2=1146,1147,1148,
 &end
#
#   29 TYR   HE     80 LEU  QD1      5.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  84,  89,
 igr2= 872, 873, 874,
 &end
#
#   80 LEU   QD1   101 ARG  HB3      4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 872, 873, 874,
 &end
#
#   80 LEU   QD1   100 GLU  HA       4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 872, 873, 874,
 &end
#
#   45 LEU   QD2    48 LEU  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 348, 349, 350,
 igr2= 397, 398, 399,
 &end
#
#   31 ILE   QD1    99 VAL  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1175, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 132, 133, 134,
 &end
#
#   31 ILE   QD1    72 LEU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 737, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 132, 133, 134,
 &end
#
#   84 LEU   QD1   100 GLU  HA       4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 932, 933, 934,
 &end
#
#   31 ILE   QD1    33 MET  HG3      4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1= 132, 133, 134,
 &end
#
#   42 TRP   HD1    61 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 595, 596, 597,
 &end
#
#   35 ASN   HB3    96 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1130,1131,1132,
 &end
#
#   35 ASN   HND1   96 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1130,1131,1132,
 &end
#
#   45 LEU   HA     87 LEU  QD2      5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr2= 994, 995, 996,
 &end
#
#   89 ASN   HB2    90 ILE  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1018,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1034,1035,1036,
 &end
#
#   48 LEU   QD1    87 LEU  QD2      5.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.77, r4= 8.27,
 igr1= 397, 398, 399,
 igr2= 994, 995, 996,
 &end
#
#   83 ALA   HA     87 LEU  QD2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 994, 995, 996,
 &end
#
#   52 ASN   HND1   90 ILE  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1034,1035,1036,
 &end
#
#   83 ALA   HA     99 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1183,1184,1185,
 &end
#
#   33 MET   HG3    99 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1183,1184,1185,
 &end
#
#   87 LEU   HB2    99 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 985,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1183,1184,1185,
 &end
#
#   87 LEU   HA     99 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 983,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1183,1184,1185,
 &end
#
#   42 TRP   HH2    45 LEU  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 344, 345, 346,
 &end
#
#   29 TYR   HE     84 LEU  QD2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  84,  89,
 igr2= 936, 937, 938,
 &end
#
#   83 ALA   HA     84 LEU  QD2      5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2= 936, 937, 938,
 &end
#
#   92 PHE   HZ     97 ILE  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1153,1154,1155,
 &end
#
#   92 PHE   HB3    97 ILE  QD1      4.39
 &rst
  ixpk= 0, nxpk= 0, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2=1153,1154,1155,
 &end
#
#   49 ALA   HA     54 LEU  QD2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 409,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 494, 495, 496,
 &end
#
#   86 ARG   HA     87 LEU  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 959,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 990, 991, 992,
 &end
#
#   48 LEU   QD2    92 PHE  HZ       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1074, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 401, 402, 403,
 &end
#
#   45 LEU   HA     48 LEU  QD2      5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr2= 401, 402, 403,
 &end
#
#   48 LEU   QD2    92 PHE  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1064, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 401, 402, 403,
 &end
#
#   48 LEU   QD2    92 PHE  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1067, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 401, 402, 403,
 &end
#
#   48 LEU   QD1    97 ILE  HG12     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1150, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 397, 398, 399,
 &end
#
#   48 LEU   QD1    92 PHE  HZ       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1074, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 397, 398, 399,
 &end
#
#   48 LEU   QD1    92 PHE  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1064, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 397, 398, 399,
 &end
#
#   48 LEU   QD1    87 LEU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 983, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 397, 398, 399,
 &end
#
#   48 LEU   QD1    93 ARG  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1084, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 397, 398, 399,
 &end
#Npl3_2RRM upper, lower constrains, manual NOEs for b-sheet and a-helices 
#
#   60 SER   HN     71 ALA  O        2.40
 &rst
  ixpk= 0, nxpk= 0, iat= 574, 733, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   60 SER   N      71 ALA  O        3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 733, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   60 SER   O      71 ALA  HN       2.40
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 725, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   60 SER   O      71 ALA  N        3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 724, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   58 PHE   O      73 GLU  HN       2.40
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 754, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   58 PHE   O      73 GLU  N        3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 753, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   70 GLY   HN     33 MET  O        2.40
 &rst
  ixpk= 0, nxpk= 0, iat= 718, 167, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   70 GLY   N      33 MET  O        3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 717, 167, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   70 GLY   O      33 MET  HN       2.40
 &rst
  ixpk= 0, nxpk= 0, iat= 723, 152, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   70 GLY   O      33 MET  N        3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 723, 151, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   72 LEU   HN     31 ILE  O        2.40
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 136, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   72 LEU   N      31 ILE  O        3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 136, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   72 LEU   O      31 ILE  HN       2.40
 &rst
  ixpk= 0, nxpk= 0, iat= 752, 119, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   72 LEU   O      31 ILE  N        3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 752, 118, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   34 LYS   HN     98 THR  O        2.40
 &rst
  ixpk= 0, nxpk= 0, iat= 169,1171, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   34 LYS   N      98 THR  O        3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 168,1171, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   34 LYS   O      98 THR  HN       2.40
 &rst
  ixpk= 0, nxpk= 0, iat= 189,1159, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   34 LYS   O      98 THR  N        3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 189,1158, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   32 THR   HN    100 GLU  O        2.40
 &rst
  ixpk= 0, nxpk= 0, iat= 138,1202, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   32 THR   N     100 GLU  O        3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 137,1202, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   32 THR   O     100 GLU  HN       2.40
 &rst
  ixpk= 0, nxpk= 0, iat= 150,1189, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   32 THR   O     100 GLU  N        3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 150,1188, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   92 PHE   HN     95 SER  O        2.40
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1122, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   92 PHE   N      95 SER  O        3.40
 &rst
  ixpk= 0, nxpk= 0, iat=1061,1122, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   92 PHE   O      95 SER  HN       2.40
 &rst
  ixpk= 0, nxpk= 0, iat=1080,1113, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   92 PHE   O      95 SER  N        3.40
 &rst
  ixpk= 0, nxpk= 0, iat=1080,1112, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   41 SER   O      45 LEU  HN       2.40
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 335, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   41 SER   O      45 LEU  N        3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 334, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   42 TRP   O      46 LYS  HN       2.40
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 354, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   42 TRP   O      46 LYS  N        3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 353, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   43 GLN   O      47 ASP  HN       2.40
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 376, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   43 GLN   O      47 ASP  N        3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 375, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   44 ASP   O      48 LEU  HN       2.40
 &rst
  ixpk= 0, nxpk= 0, iat= 333, 388, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   44 ASP   O      48 LEU  N        3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 333, 387, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   45 LEU   O      49 ALA  HN       2.40
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 407, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   45 LEU   O      49 ALA  N        3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 406, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   46 LYS   O      50 ARG  HN       2.40
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 417, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   46 LYS   O      50 ARG  N        3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 416, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   47 ASP   O      51 GLU  HN       2.40
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 441, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   47 ASP   O      51 GLU  N        3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 440, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   48 LEU   O      52 ASN  HN       2.40
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 456, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   48 LEU   O      52 ASN  N        3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 455, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   49 ALA   O      53 SER  HN       2.40
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 470, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   49 ALA   O      53 SER  N        3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 469, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   77 GLU   O      81 VAL  HN       2.40
 &rst
  ixpk= 0, nxpk= 0, iat= 827, 882, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   77 GLU   O      81 VAL  N        3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 827, 881, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   78 GLU   O      82 GLU  HN       2.40
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 898, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   78 GLU   O      82 GLU  N        3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 897, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   79 ILE   O      83 ALA  HN       2.40
 &rst
  ixpk= 0, nxpk= 0, iat= 861, 913, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   79 ILE   O      83 ALA  N        3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 861, 912, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   80 LEU   O      84 LEU  HN       2.40
 &rst
  ixpk= 0, nxpk= 0, iat= 880, 923, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   80 LEU   O      84 LEU  N        3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 880, 922, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   81 VAL   O      85 GLU  HN       2.40
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 942, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   81 VAL   O      85 GLU  N        3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 941, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   82 GLU   O      86 ARG  HN       2.40
 &rst
  ixpk= 0, nxpk= 0, iat= 911, 957, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   82 GLU   O      86 ARG  N        3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 911, 956, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   83 ALA   O      87 LEU  HN       2.40
 &rst
  ixpk= 0, nxpk= 0, iat= 921, 981, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   83 ALA   O      87 LEU  N        3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 921, 980, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end

#
#   60 SER   HN     71 ALA  HN        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 574, 725, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 SER   HN     72 LEU  HA        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 574, 737, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 VAL   HA     70 GLY  QA        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 720, 721,
 &end
#
#   61 VAL   HA     71 ALA  HN        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 587, 725, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 SER   HA     72 LEU  HA        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 737, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 SER   HA     73 GLU  HN        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 754, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 PHE   HN     73 GLU  HN        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 754, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 PHE   HN     74 PHE  HA        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 771, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 THR   HA     74 PHE  HA        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 771, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 THR   HA     34 LYS  HA        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 706, 171, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   70 GLY   HN     34 LYS  HA        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 718, 171, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   70 GLY   HN     33 MET  HN        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 718, 152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 ALA   HA     33 MET  HN        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 ALA   HA     32 THR  HA        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 140, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   72 LEU   HN     32 THR  HA        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 140, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   72 LEU   HN     31 ILE  HN        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 119, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   73 GLU   HA     31 ILE  HN        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 756, 119, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   73 GLU   HA     30 ARG  HA        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 756,  97, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   74 PHE   HN     30 ARG  HA        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 769,  97, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   74 PHE   HN     29 TYR  HN        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 769,  74, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 LYS   HN     98 THR  HN        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 169,1159, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 LYS   HN     99 VAL  HA        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 169,1175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 MET   HA     99 VAL  HA        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 154,1175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 MET   HA    100 GLU  HN        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 154,1189, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 THR   HN    100 GLU  HN        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 138,1189, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 THR   HN    101 ARG  HA        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 138,1206, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 ILE   HA    101 ARG  HA        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 121,1206, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 ILE   HA    102 ASP  HN        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 121,1228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   96 VAL   HA     91 GLU  HA        5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1126,1049, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   96 VAL   HA     92 PHE  HN        5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1126,1062, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   92 PHE   HN     95 SER  HN        5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1113, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# Chirality file for protein
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=13,7,11,12, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 10., rk3=10.,  &end
#
#  chirality for residue 25 atoms:  CB CD HG2 HG3
 &rst iat=10,4,8,9, &end
#
#  chirality for residue 25 atoms:  CG N HD2 HD3
 &rst iat=7,1,5,6, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=1,15,14,10, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=17,25,20,21, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=29,34,32,33, &end
#
#  chirality for residue 27 atoms:  CB CD HG2 HG3
 &rst iat=31,37,35,36, &end
#
#  chirality for residue 27 atoms:  CD NZ HE2 HE3
 &rst iat=37,43,41,42, &end
#
#  chirality for residue 27 atoms:  CG CE HD2 HD3
 &rst iat=34,40,38,39, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=27,47,30,31, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=51,56,54,55, &end
#
#  chirality for residue 28 atoms:  CB CD HG2 HG3
 &rst iat=53,59,57,58, &end
#
#  chirality for residue 28 atoms:  CG NE HD2 HD3
 &rst iat=56,62,60,61, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=49,71,52,53, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=75,80,78,79, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=73,92,76,77, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=96,101,99,100, &end
#
#  chirality for residue 30 atoms:  CB CD HG2 HG3
 &rst iat=98,104,102,103, &end
#
#  chirality for residue 30 atoms:  CG NE HD2 HD3
 &rst iat=101,107,105,106, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=94,116,97,98, &end
#
#  chirality for residue 31 atoms:  CA CG2 CG1 HB
 &rst iat=120,124,128,123, &end
#
#  chirality for residue 31 atoms:  CB CD1 HG12 HG13
 &rst iat=122,131,129,130, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=118,135,121,122, &end
#
#  chirality for residue 32 atoms:  CA CG2 OG1 HB
 &rst iat=139,143,147,142, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=137,149,140,141, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=153,158,156,157, &end
#
#  chirality for residue 33 atoms:  CB SD HG2 HG3
 &rst iat=155,161,159,160, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=151,166,154,155, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=170,175,173,174, &end
#
#  chirality for residue 34 atoms:  CB CD HG2 HG3
 &rst iat=172,178,176,177, &end
#
#  chirality for residue 34 atoms:  CD NZ HE2 HE3
 &rst iat=178,184,182,183, &end
#
#  chirality for residue 34 atoms:  CG CE HD2 HD3
 &rst iat=175,181,179,180, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=168,188,171,172, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=192,197,195,196, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=190,202,193,194, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=206,211,209,210, &end
#
#  chirality for residue 36 atoms:  CB CD1 CD2 HG
 &rst iat=208,213,217,212, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=204,221,207,208, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=233,227,231,232, &end
#
#  chirality for residue 37 atoms:  CB CD HG2 HG3
 &rst iat=230,224,228,229, &end
#
#  chirality for residue 37 atoms:  CG N HD2 HD3
 &rst iat=227,223,225,226, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=223,235,234,230, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=239,244,242,243, &end
#
#  chirality for residue 38 atoms:  CB CD HG2 HG3
 &rst iat=241,247,245,246, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=237,250,240,241, &end
#
#  chirality for residue 39 atoms:  N C HA2 HA3
 &rst iat=252,257,255,256, &end
#
#  chirality for residue 40 atoms:  CA SG HB2 HB3
 &rst iat=261,266,264,265, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=259,268,262,263, &end
#
#  chirality for residue 41 atoms:  CA OG HB2 HB3
 &rst iat=272,277,275,276, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=270,279,273,274, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=283,288,286,287, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=281,303,284,285, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=307,312,310,311, &end
#
#  chirality for residue 43 atoms:  CB CD HG2 HG3
 &rst iat=309,315,313,314, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=305,320,308,309, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=324,329,327,328, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=322,332,325,326, &end
#
#  chirality for residue 45 atoms:  CA CG HB2 HB3
 &rst iat=336,341,339,340, &end
#
#  chirality for residue 45 atoms:  CB CD1 CD2 HG
 &rst iat=338,343,347,342, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=334,351,337,338, &end
#
#  chirality for residue 46 atoms:  CA CG HB2 HB3
 &rst iat=355,360,358,359, &end
#
#  chirality for residue 46 atoms:  CB CD HG2 HG3
 &rst iat=357,363,361,362, &end
#
#  chirality for residue 46 atoms:  CD NZ HE2 HE3
 &rst iat=363,369,367,368, &end
#
#  chirality for residue 46 atoms:  CG CE HD2 HD3
 &rst iat=360,366,364,365, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=353,373,356,357, &end
#
#  chirality for residue 47 atoms:  CA CG HB2 HB3
 &rst iat=377,382,380,381, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=375,385,378,379, &end
#
#  chirality for residue 48 atoms:  CA CG HB2 HB3
 &rst iat=389,394,392,393, &end
#
#  chirality for residue 48 atoms:  CB CD1 CD2 HG
 &rst iat=391,396,400,395, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=387,404,390,391, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=406,414,409,410, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=418,423,421,422, &end
#
#  chirality for residue 50 atoms:  CB CD HG2 HG3
 &rst iat=420,426,424,425, &end
#
#  chirality for residue 50 atoms:  CG NE HD2 HD3
 &rst iat=423,429,427,428, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=416,438,419,420, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=442,447,445,446, &end
#
#  chirality for residue 51 atoms:  CB CD HG2 HG3
 &rst iat=444,450,448,449, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=440,453,443,444, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=457,462,460,461, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=455,467,458,459, &end
#
#  chirality for residue 53 atoms:  CA OG HB2 HB3
 &rst iat=471,476,474,475, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=469,478,472,473, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=482,487,485,486, &end
#
#  chirality for residue 54 atoms:  CB CD1 CD2 HG
 &rst iat=484,489,493,488, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=480,497,483,484, &end
#
#  chirality for residue 55 atoms:  CA CG HB2 HB3
 &rst iat=501,506,504,505, &end
#
#  chirality for residue 55 atoms:  CB CD HG2 HG3
 &rst iat=503,509,507,508, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=499,512,502,503, &end
#
#  chirality for residue 56 atoms:  CA CG2 OG1 HB
 &rst iat=516,520,524,519, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=514,526,517,518, &end
#
#  chirality for residue 57 atoms:  CA CG2 OG1 HB
 &rst iat=530,534,538,533, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=528,540,531,532, &end
#
#  chirality for residue 58 atoms:  CA CG HB2 HB3
 &rst iat=544,549,547,548, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=542,560,545,546, &end
#
#  chirality for residue 59 atoms:  CA OG HB2 HB3
 &rst iat=564,569,567,568, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=562,571,565,566, &end
#
#  chirality for residue 60 atoms:  CA OG HB2 HB3
 &rst iat=575,580,578,579, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=573,582,576,577, &end
#
#  chirality for residue 61 atoms:  CA CG1 CG2 HB
 &rst iat=586,590,594,589, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=584,598,587,588, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=602,607,605,606, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=600,612,603,604, &end
#
#  chirality for residue 63 atoms:  CA CG2 OG1 HB
 &rst iat=616,620,624,619, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=614,626,617,618, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=630,635,633,634, &end
#
#  chirality for residue 64 atoms:  CB CD HG2 HG3
 &rst iat=632,638,636,637, &end
#
#  chirality for residue 64 atoms:  CG NE HD2 HD3
 &rst iat=635,641,639,640, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=628,650,631,632, &end
#
#  chirality for residue 65 atoms:  CA CG HB2 HB3
 &rst iat=654,659,657,658, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=652,662,655,656, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=666,671,669,670, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=664,682,667,668, &end
#
#  chirality for residue 67 atoms:  CA CG HB2 HB3
 &rst iat=686,691,689,690, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=684,694,687,688, &end
#
#  chirality for residue 68 atoms:  N C HA2 HA3
 &rst iat=696,701,699,700, &end
#
#  chirality for residue 69 atoms:  CA CG2 OG1 HB
 &rst iat=705,709,713,708, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=703,715,706,707, &end
#
#  chirality for residue 70 atoms:  N C HA2 HA3
 &rst iat=717,722,720,721, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=724,732,727,728, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=736,741,739,740, &end
#
#  chirality for residue 72 atoms:  CB CD1 CD2 HG
 &rst iat=738,743,747,742, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=734,751,737,738, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=755,760,758,759, &end
#
#  chirality for residue 73 atoms:  CB CD HG2 HG3
 &rst iat=757,763,761,762, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=753,766,756,757, &end
#
#  chirality for residue 74 atoms:  CA CG HB2 HB3
 &rst iat=770,775,773,774, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=768,786,771,772, &end
#
#  chirality for residue 75 atoms:  CA CG HB2 HB3
 &rst iat=798,792,796,797, &end
#
#  chirality for residue 75 atoms:  CB CD HG2 HG3
 &rst iat=795,789,793,794, &end
#
#  chirality for residue 75 atoms:  CG N HD2 HD3
 &rst iat=792,788,790,791, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=788,800,799,795, &end
#
#  chirality for residue 76 atoms:  CA OG HB2 HB3
 &rst iat=804,809,807,808, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=802,811,805,806, &end
#
#  chirality for residue 77 atoms:  CA CG HB2 HB3
 &rst iat=815,820,818,819, &end
#
#  chirality for residue 77 atoms:  CB CD HG2 HG3
 &rst iat=817,823,821,822, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=813,826,816,817, &end
#
#  chirality for residue 78 atoms:  CA CG HB2 HB3
 &rst iat=830,835,833,834, &end
#
#  chirality for residue 78 atoms:  CB CD HG2 HG3
 &rst iat=832,838,836,837, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=828,841,831,832, &end
#
#  chirality for residue 79 atoms:  CA CG2 CG1 HB
 &rst iat=845,849,853,848, &end
#
#  chirality for residue 79 atoms:  CB CD1 HG12 HG13
 &rst iat=847,856,854,855, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=843,860,846,847, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=864,869,867,868, &end
#
#  chirality for residue 80 atoms:  CB CD1 CD2 HG
 &rst iat=866,871,875,870, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=862,879,865,866, &end
#
#  chirality for residue 81 atoms:  CA CG1 CG2 HB
 &rst iat=883,887,891,886, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=881,895,884,885, &end
#
#  chirality for residue 82 atoms:  CA CG HB2 HB3
 &rst iat=899,904,902,903, &end
#
#  chirality for residue 82 atoms:  CB CD HG2 HG3
 &rst iat=901,907,905,906, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=897,910,900,901, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=912,920,915,916, &end
#
#  chirality for residue 84 atoms:  CA CG HB2 HB3
 &rst iat=924,929,927,928, &end
#
#  chirality for residue 84 atoms:  CB CD1 CD2 HG
 &rst iat=926,931,935,930, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=922,939,925,926, &end
#
#  chirality for residue 85 atoms:  CA CG HB2 HB3
 &rst iat=943,948,946,947, &end
#
#  chirality for residue 85 atoms:  CB CD HG2 HG3
 &rst iat=945,951,949,950, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=941,954,944,945, &end
#
#  chirality for residue 86 atoms:  CA CG HB2 HB3
 &rst iat=958,963,961,962, &end
#
#  chirality for residue 86 atoms:  CB CD HG2 HG3
 &rst iat=960,966,964,965, &end
#
#  chirality for residue 86 atoms:  CG NE HD2 HD3
 &rst iat=963,969,967,968, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=956,978,959,960, &end
#
#  chirality for residue 87 atoms:  CA CG HB2 HB3
 &rst iat=982,987,985,986, &end
#
#  chirality for residue 87 atoms:  CB CD1 CD2 HG
 &rst iat=984,989,993,988, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=980,997,983,984, &end
#
#  chirality for residue 88 atoms:  CA CG HB2 HB3
 &rst iat=1001,1006,1004,1005, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=999,1011,1002,1003, &end
#
#  chirality for residue 89 atoms:  CA CG HB2 HB3
 &rst iat=1015,1020,1018,1019, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1013,1025,1016,1017, &end
#
#  chirality for residue 90 atoms:  CA CG2 CG1 HB
 &rst iat=1029,1033,1037,1032, &end
#
#  chirality for residue 90 atoms:  CB CD1 HG12 HG13
 &rst iat=1031,1040,1038,1039, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1027,1044,1030,1031, &end
#
#  chirality for residue 91 atoms:  CA CG HB2 HB3
 &rst iat=1048,1053,1051,1052, &end
#
#  chirality for residue 91 atoms:  CB CD HG2 HG3
 &rst iat=1050,1056,1054,1055, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1046,1059,1049,1050, &end
#
#  chirality for residue 92 atoms:  CA CG HB2 HB3
 &rst iat=1063,1068,1066,1067, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1061,1079,1064,1065, &end
#
#  chirality for residue 93 atoms:  CA CG HB2 HB3
 &rst iat=1083,1088,1086,1087, &end
#
#  chirality for residue 93 atoms:  CB CD HG2 HG3
 &rst iat=1085,1091,1089,1090, &end
#
#  chirality for residue 93 atoms:  CG NE HD2 HD3
 &rst iat=1088,1094,1092,1093, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1081,1103,1084,1085, &end
#
#  chirality for residue 94 atoms:  N C HA2 HA3
 &rst iat=1105,1110,1108,1109, &end
#
#  chirality for residue 95 atoms:  CA OG HB2 HB3
 &rst iat=1114,1119,1117,1118, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1112,1121,1115,1116, &end
#
#  chirality for residue 96 atoms:  CA CG1 CG2 HB
 &rst iat=1125,1129,1133,1128, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1123,1137,1126,1127, &end
#
#  chirality for residue 97 atoms:  CA CG2 CG1 HB
 &rst iat=1141,1145,1149,1144, &end
#
#  chirality for residue 97 atoms:  CB CD1 HG12 HG13
 &rst iat=1143,1152,1150,1151, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1139,1156,1142,1143, &end
#
#  chirality for residue 98 atoms:  CA CG2 OG1 HB
 &rst iat=1160,1164,1168,1163, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1158,1170,1161,1162, &end
#
#  chirality for residue 99 atoms:  CA CG1 CG2 HB
 &rst iat=1174,1178,1182,1177, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1172,1186,1175,1176, &end
#
#  chirality for residue 100 atoms:  CA CG HB2 HB3
 &rst iat=1190,1195,1193,1194, &end
#
#  chirality for residue 100 atoms:  CB CD HG2 HG3
 &rst iat=1192,1198,1196,1197, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1188,1201,1191,1192, &end
#
#  chirality for residue 101 atoms:  CA CG HB2 HB3
 &rst iat=1205,1210,1208,1209, &end
#
#  chirality for residue 101 atoms:  CB CD HG2 HG3
 &rst iat=1207,1213,1211,1212, &end
#
#  chirality for residue 101 atoms:  CG NE HD2 HD3
 &rst iat=1210,1216,1214,1215, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=1203,1225,1206,1207, &end
#
#  chirality for residue 102 atoms:  CA CG HB2 HB3
 &rst iat=1229,1234,1232,1233, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1227,1237,1230,1231, &end
#
#  chirality for residue 103 atoms:  CA CG HB2 HB3
 &rst iat=1241,1246,1244,1245, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1239,1249,1242,1243, &end
#
#  chirality for residue 104 atoms:  CA CG HB2 HB3
 &rst iat=1253,1258,1256,1257, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1251,1263,1254,1255, &end
#
#  trans-omega constraint for residue 26
 &rst iat=19,17,15,13, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 27
 &rst iat=29,27,25,19, &end
#
#  trans-omega constraint for residue 28
 &rst iat=51,49,47,29, &end
#
#  trans-omega constraint for residue 29
 &rst iat=75,73,71,51, &end
#
#  trans-omega constraint for residue 30
 &rst iat=96,94,92,75, &end
#
#  trans-omega constraint for residue 31
 &rst iat=120,118,116,96, &end
#
#  trans-omega constraint for residue 32
 &rst iat=139,137,135,120, &end
#
#  trans-omega constraint for residue 33
 &rst iat=153,151,149,139, &end
#
#  trans-omega constraint for residue 34
 &rst iat=170,168,166,153, &end
#
#  trans-omega constraint for residue 35
 &rst iat=192,190,188,170, &end
#
#  trans-omega constraint for residue 36
 &rst iat=206,204,202,192, &end
#
#  trans-omega constraint for residue 37
 &rst iat=233,223,221,206, &end
#
#  trans-omega constraint for residue 38
 &rst iat=239,237,235,233, &end
#
#  trans-omega constraint for residue 39
 &rst iat=254,252,250,239, &end
#
#  trans-omega constraint for residue 40
 &rst iat=261,259,257,254, &end
#
#  trans-omega constraint for residue 41
 &rst iat=272,270,268,261, &end
#
#  trans-omega constraint for residue 42
 &rst iat=283,281,279,272, &end
#
#  trans-omega constraint for residue 43
 &rst iat=307,305,303,283, &end
#
#  trans-omega constraint for residue 44
 &rst iat=324,322,320,307, &end
#
#  trans-omega constraint for residue 45
 &rst iat=336,334,332,324, &end
#
#  trans-omega constraint for residue 46
 &rst iat=355,353,351,336, &end
#
#  trans-omega constraint for residue 47
 &rst iat=377,375,373,355, &end
#
#  trans-omega constraint for residue 48
 &rst iat=389,387,385,377, &end
#
#  trans-omega constraint for residue 49
 &rst iat=408,406,404,389, &end
#
#  trans-omega constraint for residue 50
 &rst iat=418,416,414,408, &end
#
#  trans-omega constraint for residue 51
 &rst iat=442,440,438,418, &end
#
#  trans-omega constraint for residue 52
 &rst iat=457,455,453,442, &end
#
#  trans-omega constraint for residue 53
 &rst iat=471,469,467,457, &end
#
#  trans-omega constraint for residue 54
 &rst iat=482,480,478,471, &end
#
#  trans-omega constraint for residue 55
 &rst iat=501,499,497,482, &end
#
#  trans-omega constraint for residue 56
 &rst iat=516,514,512,501, &end
#
#  trans-omega constraint for residue 57
 &rst iat=530,528,526,516, &end
#
#  trans-omega constraint for residue 58
 &rst iat=544,542,540,530, &end
#
#  trans-omega constraint for residue 59
 &rst iat=564,562,560,544, &end
#
#  trans-omega constraint for residue 60
 &rst iat=575,573,571,564, &end
#
#  trans-omega constraint for residue 61
 &rst iat=586,584,582,575, &end
#
#  trans-omega constraint for residue 62
 &rst iat=602,600,598,586, &end
#
#  trans-omega constraint for residue 63
 &rst iat=616,614,612,602, &end
#
#  trans-omega constraint for residue 64
 &rst iat=630,628,626,616, &end
#
#  trans-omega constraint for residue 65
 &rst iat=654,652,650,630, &end
#
#  trans-omega constraint for residue 66
 &rst iat=666,664,662,654, &end
#
#  trans-omega constraint for residue 67
 &rst iat=686,684,682,666, &end
#
#  trans-omega constraint for residue 68
 &rst iat=698,696,694,686, &end
#
#  trans-omega constraint for residue 69
 &rst iat=705,703,701,698, &end
#
#  trans-omega constraint for residue 70
 &rst iat=719,717,715,705, &end
#
#  trans-omega constraint for residue 71
 &rst iat=726,724,722,719, &end
#
#  trans-omega constraint for residue 72
 &rst iat=736,734,732,726, &end
#
#  trans-omega constraint for residue 73
 &rst iat=755,753,751,736, &end
#
#  trans-omega constraint for residue 74
 &rst iat=770,768,766,755, &end
#
#  trans-omega constraint for residue 75
 &rst iat=798,788,786,770, &end
#
#  trans-omega constraint for residue 76
 &rst iat=804,802,800,798, &end
#
#  trans-omega constraint for residue 77
 &rst iat=815,813,811,804, &end
#
#  trans-omega constraint for residue 78
 &rst iat=830,828,826,815, &end
#
#  trans-omega constraint for residue 79
 &rst iat=845,843,841,830, &end
#
#  trans-omega constraint for residue 80
 &rst iat=864,862,860,845, &end
#
#  trans-omega constraint for residue 81
 &rst iat=883,881,879,864, &end
#
#  trans-omega constraint for residue 82
 &rst iat=899,897,895,883, &end
#
#  trans-omega constraint for residue 83
 &rst iat=914,912,910,899, &end
#
#  trans-omega constraint for residue 84
 &rst iat=924,922,920,914, &end
#
#  trans-omega constraint for residue 85
 &rst iat=943,941,939,924, &end
#
#  trans-omega constraint for residue 86
 &rst iat=958,956,954,943, &end
#
#  trans-omega constraint for residue 87
 &rst iat=982,980,978,958, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1001,999,997,982, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1015,1013,1011,1001, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1029,1027,1025,1015, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1048,1046,1044,1029, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1063,1061,1059,1048, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1083,1081,1079,1063, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1107,1105,1103,1083, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1114,1112,1110,1107, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1125,1123,1121,1114, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1141,1139,1137,1125, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1160,1158,1156,1141, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1174,1172,1170,1160, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1190,1188,1186,1174, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1205,1203,1201,1190, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1229,1227,1225,1205, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1241,1239,1237,1229, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1253,1251,1249,1241, &end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   PRO  25           HA       PRO  25  10.389  16.556   6.759
    2    HB2  PRO  25           2HB      PRO  25   9.439  15.333   4.125
    3    HB3  PRO  25           3HB      PRO  25  10.749  16.544   4.376
    4    HG2  PRO  25           2HG      PRO  25  11.226  13.831   4.354
    5    HG3  PRO  25           3HG      PRO  25  12.150  14.947   5.399
    6    HD2  PRO  25           2HD      PRO  25  10.271  12.887   6.259
    7    HD3  PRO  25           3HD      PRO  25  11.300  13.955   7.236
    8    H    ALA  26           H        ALA  26   8.423  17.195   4.162
    9    HA   ALA  26           HA       ALA  26   6.664  19.054   5.364
   10    HB1  ALA  26           1HB      ALA  26   5.520  18.913   3.159
   11    HB2  ALA  26           2HB      ALA  26   7.285  18.989   2.980
   12    HB3  ALA  26           3HB      ALA  26   6.439  17.438   2.777
   13    H    LYS  27           H        LYS  27   6.334  15.596   4.879
   14    HA   LYS  27           HA       LYS  27   4.150  15.367   6.880
   15    HB2  LYS  27           2HB      LYS  27   3.869  14.872   3.971
   16    HB3  LYS  27           3HB      LYS  27   3.617  13.413   4.868
   17    HG2  LYS  27           2HG      LYS  27   2.160  16.027   5.445
   18    HG3  LYS  27           3HG      LYS  27   1.595  14.748   4.382
   19    HD2  LYS  27           2HD      LYS  27   1.925  13.188   6.489
   20    HD3  LYS  27           3HD      LYS  27   1.838  14.704   7.393
   21    HE2  LYS  27           2HE      LYS  27  -0.236  13.552   5.476
   22    HE3  LYS  27           3HE      LYS  27  -0.336  13.549   7.230
   23    HZ1  LYS  27           3HZ      LYS  27  -1.647  15.346   6.338
   24    HZ2  LYS  27           1HZ      LYS  27  -0.395  16.000   7.159
   25    HZ3  LYS  27           2HZ      LYS  27  -0.387  15.978   5.505
   26    H    ARG  28           H        ARG  28   3.856  13.293   7.533
   27    HA   ARG  28           HA       ARG  28   5.464  11.006   6.773
   28    HE   ARG  28           HE       ARG  28   7.605   9.552  10.933
   29    HB2  ARG  28           2HB      ARG  28   5.542  12.238   9.585
   30    HB3  ARG  28           3HB      ARG  28   5.690  10.512   9.308
   31    HG2  ARG  28           2HG      ARG  28   7.626  11.083   7.674
   32    HG3  ARG  28           3HG      ARG  28   7.565  12.704   8.382
   33    HD2  ARG  28           2HD      ARG  28   9.261  11.451   9.533
   34    HD3  ARG  28           3HD      ARG  28   7.895  11.808  10.601
   35   HH11  ARG  28          1HH2      ARG  28   9.420   9.712   7.895
   36   HH12  ARG  28          2HH2      ARG  28   9.214   7.972   7.669
   37   HH21  ARG  28          1HH1      ARG  28   7.554   7.339  10.503
   38   HH22  ARG  28          2HH1      ARG  28   8.300   6.781   9.002
   39    H    TYR  29           H        TYR  29   3.964   9.534   6.470
   40    HA   TYR  29           HA       TYR  29   1.567   9.373   8.246
   41    HD1  TYR  29           HD2      TYR  29   0.596   7.059   5.202
   42    HD2  TYR  29           HD1      TYR  29   2.350  10.846   4.013
   43    HE1  TYR  29           HE2      TYR  29   1.309   6.035   3.081
   44    HE2  TYR  29           HE1      TYR  29   2.780   9.891   1.822
   45    HH   TYR  29           HH       TYR  29   2.104   6.393   1.043
   46    HB2  TYR  29           2HB      TYR  29   0.081   9.197   6.374
   47    HB3  TYR  29           3HB      TYR  29   1.004  10.647   6.086
   48    H    ARG  30           H        ARG  30   0.429   7.363   8.002
   49    HA   ARG  30           HA       ARG  30   1.929   5.166   6.699
   50    HE   ARG  30           HE       ARG  30  -0.275   2.113   9.758
   51    HB2  ARG  30           2HB      ARG  30   2.296   5.542   9.283
   52    HB3  ARG  30           3HB      ARG  30   0.718   4.828   9.444
   53    HG2  ARG  30           2HG      ARG  30   3.101   3.566   8.000
   54    HG3  ARG  30           3HG      ARG  30   2.817   3.348   9.709
   55    HD2  ARG  30           2HD      ARG  30   0.735   2.533   7.654
   56    HD3  ARG  30           3HD      ARG  30   2.075   1.499   8.093
   57   HH11  ARG  30          2HH2      ARG  30   2.971   0.735   9.846
   58   HH12  ARG  30          1HH2      ARG  30   2.584  -0.216  11.250
   59   HH21  ARG  30          2HH1      ARG  30  -0.682   0.910  11.399
   60   HH22  ARG  30          1HH1      ARG  30   0.539  -0.114  12.158
   61    H    ILE  31           H        ILE  31   0.616   3.791   5.571
   62    HA   ILE  31           HA       ILE  31  -2.338   3.927   6.001
   63    HB   ILE  31           HB       ILE  31  -2.785   3.491   3.672
   64   HG12  ILE  31          2HG1      ILE  31   0.112   3.987   2.968
   65   HG13  ILE  31          3HG1      ILE  31  -0.597   2.367   3.097
   66   HG21  ILE  31          1HG2      ILE  31  -1.058   5.969   3.946
   67   HG22  ILE  31          2HG2      ILE  31  -2.294   5.673   2.716
   68   HG23  ILE  31          3HG2      ILE  31  -2.765   5.804   4.398
   69   HD11  ILE  31          3HD1      ILE  31  -1.420   4.473   1.099
   70   HD12  ILE  31          1HD1      ILE  31  -0.596   2.936   0.808
   71   HD13  ILE  31          2HD1      ILE  31  -2.275   2.933   1.392
   72    H    THR  32           H        THR  32  -3.497   2.134   5.633
   73    HA   THR  32           HA       THR  32  -2.201  -0.592   5.872
   74    HB   THR  32           HB       THR  32  -4.949   0.539   6.335
   75    HG1  THR  32           1HG      THR  32  -4.443   0.191   8.425
   76   HG21  THR  32          1HG2      THR  32  -3.931  -2.353   6.537
   77   HG22  THR  32          2HG2      THR  32  -5.464  -1.784   7.237
   78   HG23  THR  32          3HG2      THR  32  -5.233  -1.747   5.491
   79    H    MET  33           H        MET  33  -2.411  -2.076   4.399
   80    HA   MET  33           HA       MET  33  -4.261  -1.655   2.222
   81    HB2  MET  33           2HB      MET  33  -1.357  -2.473   1.656
   82    HB3  MET  33           3HB      MET  33  -2.691  -2.331   0.497
   83    HG2  MET  33           2HG      MET  33  -2.839   0.129   1.322
   84    HG3  MET  33           3HG      MET  33  -1.296  -0.160   2.044
   85    HE1  MET  33           3HE      MET  33  -1.483  -2.012  -1.321
   86    HE2  MET  33           1HE      MET  33  -0.042  -1.198  -1.982
   87    HE3  MET  33           2HE      MET  33   0.020  -1.948  -0.372
   88    H    LYS  34           H        LYS  34  -5.549  -3.220   2.352
   89    HA   LYS  34           HA       LYS  34  -4.817  -5.961   3.342
   90    HB2  LYS  34           2HB      LYS  34  -4.885  -4.260   5.159
   91    HB3  LYS  34           3HB      LYS  34  -6.278  -3.507   4.354
   92    HG2  LYS  34           2HG      LYS  34  -6.822  -6.089   5.526
   93    HG3  LYS  34           3HG      LYS  34  -6.470  -4.691   6.584
   94    HD2  LYS  34           2HD      LYS  34  -8.566  -4.540   4.363
   95    HD3  LYS  34           3HD      LYS  34  -8.964  -5.052   5.944
   96    HE2  LYS  34           2HE      LYS  34  -9.306  -2.822   6.348
   97    HE3  LYS  34           3HE      LYS  34  -7.541  -2.692   6.453
   98    HZ1  LYS  34           3HZ      LYS  34  -7.558  -1.436   4.639
   99    HZ2  LYS  34           1HZ      LYS  34  -8.334  -2.562   3.726
  100    HZ3  LYS  34           2HZ      LYS  34  -9.128  -1.400   4.625
  101    H    ASN  35           H        ASN  35  -6.736  -7.397   3.302
  102    HA   ASN  35           HA       ASN  35  -9.190  -6.066   3.155
  103    HB2  ASN  35           2HB      ASN  35  -9.466  -5.781   1.011
  104    HB3  ASN  35           3HB      ASN  35  -8.181  -6.816   0.596
  105   HD21  ASN  35          1HD2      ASN  35  -8.773  -8.685  -0.566
  106   HD22  ASN  35          2HD2      ASN  35 -10.435  -9.244  -0.663
  107    H    LEU  36           H        LEU  36  -8.475  -9.531   2.202
  108    HA   LEU  36           HA       LEU  36  -8.873 -10.454   4.827
  109    HG   LEU  36           HG       LEU  36 -10.973 -12.901   4.446
  110    HB2  LEU  36           2HB      LEU  36 -11.242  -9.879   4.604
  111    HB3  LEU  36           3HB      LEU  36 -11.378 -10.815   3.133
  112   HD11  LEU  36          1HD1      LEU  36  -9.592 -12.030   6.303
  113   HD12  LEU  36          2HD1      LEU  36 -10.945 -11.020   6.854
  114   HD13  LEU  36          3HD1      LEU  36 -11.053 -12.793   6.936
  115   HD21  LEU  36          3HD2      LEU  36 -13.145 -11.109   5.608
  116   HD22  LEU  36          1HD2      LEU  36 -13.262 -12.045   4.099
  117   HD23  LEU  36          2HD2      LEU  36 -13.107 -12.887   5.652
  118    HA   PRO  37           HA       PRO  37  -8.702 -14.451   2.359
  119    HB2  PRO  37           2HB      PRO  37  -8.838 -14.661  -0.350
  120    HB3  PRO  37           3HB      PRO  37 -10.287 -14.486   0.678
  121    HG2  PRO  37           2HG      PRO  37  -8.785 -12.311  -0.799
  122    HG3  PRO  37           3HG      PRO  37 -10.547 -12.638  -0.824
  123    HD2  PRO  37           2HD      PRO  37  -9.487 -10.764   0.830
  124    HD3  PRO  37           3HD      PRO  37 -10.838 -11.813   1.352
  125    H    GLU  38           H        GLU  38  -6.718 -11.782   1.491
  126    HA   GLU  38           HA       GLU  38  -4.560 -13.575   0.487
  127    HB2  GLU  38           2HB      GLU  38  -3.673 -11.740  -0.740
  128    HB3  GLU  38           3HB      GLU  38  -5.322 -12.130  -1.193
  129    HG2  GLU  38           2HG      GLU  38  -4.504  -9.715   0.481
  130    HG3  GLU  38           3HG      GLU  38  -4.801  -9.696  -1.219
  131    H    GLY  39           H        GLY  39  -3.190 -14.126   1.968
  132    HA2  GLY  39           2HA      GLY  39  -2.196 -12.347   4.061
  133    HA3  GLY  39           3HA      GLY  39  -1.612 -13.965   3.663
  134    H    CYS  40           H        CYS  40  -1.810 -10.775   2.011
  135    HA   CYS  40           HA       CYS  40   0.328 -11.161   0.226
  136    HG   CYS  40           HG       CYS  40  -1.741  -8.977   2.547
  137    HB2  CYS  40           2HB      CYS  40   0.349  -8.706  -0.031
  138    HB3  CYS  40           3HB      CYS  40  -1.255  -9.384  -0.167
  139    H    SER  41           H        SER  41   2.426 -10.252   0.100
  140    HA   SER  41           HA       SER  41   3.890  -9.904   2.686
  141    HG   SER  41           HG       SER  41   3.660 -12.266   0.150
  142    HB2  SER  41           2HB      SER  41   5.292 -10.815   0.218
  143    HB3  SER  41           3HB      SER  41   5.624 -11.212   1.908
  144    H    TRP  42           H        TRP  42   6.015  -8.582   2.422
  145    HA   TRP  42           HA       TRP  42   5.278  -6.151   1.182
  146    HD1  TRP  42           HD1      TRP  42   9.806  -4.970   1.855
  147    HE1  TRP  42           HE1      TRP  42   9.890  -2.686   0.702
  148    HE3  TRP  42           HE3      TRP  42   4.771  -4.251   0.964
  149    HZ2  TRP  42           HZ2      TRP  42   8.074  -1.005  -0.811
  150    HZ3  TRP  42           HZ3      TRP  42   4.030  -2.403  -0.442
  151    HH2  TRP  42           HH2      TRP  42   5.638  -0.773  -1.338
  152    HB2  TRP  42           2HB      TRP  42   6.927  -6.171   2.985
  153    HB3  TRP  42           3HB      TRP  42   8.105  -6.900   1.920
  154    H    GLN  43           H        GLN  43   7.423  -8.684  -0.115
  155    HA   GLN  43           HA       GLN  43   7.987  -7.266  -2.476
  156    HB2  GLN  43           2HB      GLN  43   8.457  -9.473  -3.525
  157    HB3  GLN  43           3HB      GLN  43   9.241  -9.312  -1.964
  158    HG2  GLN  43           2HG      GLN  43   7.968 -10.967  -0.978
  159    HG3  GLN  43           3HG      GLN  43   6.528 -10.597  -1.901
  160   HE21  GLN  43          2HE2      GLN  43   5.929 -12.084  -3.459
  161   HE22  GLN  43          1HE2      GLN  43   7.074 -13.209  -4.190
  162    H    ASP  44           H        ASP  44   5.029  -8.738  -1.619
  163    HA   ASP  44           HA       ASP  44   4.070  -9.080  -4.375
  164    HB2  ASP  44           2HB      ASP  44   2.699  -9.211  -1.645
  165    HB3  ASP  44           3HB      ASP  44   2.030  -9.565  -3.192
  166    H    LEU  45           H        LEU  45   3.445  -7.046  -1.517
  167    HA   LEU  45           HA       LEU  45   1.536  -5.366  -2.797
  168    HG   LEU  45           HG       LEU  45   1.160  -6.693  -0.253
  169    HB2  LEU  45           2HB      LEU  45   3.192  -5.293  -0.276
  170    HB3  LEU  45           3HB      LEU  45   2.245  -3.901  -0.746
  171   HD11  LEU  45          1HD1      LEU  45   1.008  -4.034   1.239
  172   HD12  LEU  45          2HD1      LEU  45   0.148  -5.522   1.714
  173   HD13  LEU  45          3HD1      LEU  45   1.921  -5.488   1.728
  174   HD21  LEU  45          3HD2      LEU  45  -1.094  -5.584  -0.298
  175   HD22  LEU  45          1HD2      LEU  45  -0.326  -4.098  -0.896
  176   HD23  LEU  45          2HD2      LEU  45  -0.327  -5.557  -1.888
  177    H    LYS  46           H        LYS  46   5.121  -5.028  -2.377
  178    HA   LYS  46           HA       LYS  46   5.092  -2.400  -3.609
  179    HB2  LYS  46           2HB      LYS  46   7.097  -3.546  -2.290
  180    HB3  LYS  46           3HB      LYS  46   7.542  -4.102  -3.901
  181    HG2  LYS  46           2HG      LYS  46   7.160  -1.604  -4.644
  182    HG3  LYS  46           3HG      LYS  46   7.143  -1.204  -2.973
  183    HD2  LYS  46           2HD      LYS  46   9.445  -2.113  -2.694
  184    HD3  LYS  46           3HD      LYS  46   9.445  -2.588  -4.389
  185    HE2  LYS  46           2HE      LYS  46  10.644  -0.578  -4.373
  186    HE3  LYS  46           3HE      LYS  46   9.056  -0.138  -5.000
  187    HZ1  LYS  46           3HZ      LYS  46   9.969   0.292  -2.193
  188    HZ2  LYS  46           1HZ      LYS  46   9.907   1.434  -3.368
  189    HZ3  LYS  46           2HZ      LYS  46   8.521   0.801  -2.810
  190    H    ASP  47           H        ASP  47   5.413  -5.744  -4.936
  191    HA   ASP  47           HA       ASP  47   5.779  -4.936  -7.635
  192    HB2  ASP  47           2HB      ASP  47   5.549  -7.376  -6.506
  193    HB3  ASP  47           3HB      ASP  47   3.920  -7.240  -7.091
  194    H    LEU  48           H        LEU  48   2.643  -5.561  -6.025
  195    HA   LEU  48           HA       LEU  48   1.233  -4.531  -8.210
  196    HG   LEU  48           HG       LEU  48  -1.181  -3.789  -7.840
  197    HB2  LEU  48           2HB      LEU  48   0.006  -5.760  -6.687
  198    HB3  LEU  48           3HB      LEU  48   0.347  -4.671  -5.334
  199   HD11  LEU  48          1HD1      LEU  48  -2.319  -4.846  -5.230
  200   HD12  LEU  48          2HD1      LEU  48  -3.255  -3.979  -6.447
  201   HD13  LEU  48          3HD1      LEU  48  -2.526  -5.511  -6.900
  202   HD21  LEU  48          3HD2      LEU  48  -0.672  -1.866  -6.808
  203   HD22  LEU  48          1HD2      LEU  48  -2.140  -2.225  -5.939
  204   HD23  LEU  48          2HD2      LEU  48  -0.589  -2.593  -5.171
  205    H    ALA  49           H        ALA  49   2.417  -2.748  -5.297
  206    HA   ALA  49           HA       ALA  49   1.198  -0.339  -5.877
  207    HB1  ALA  49           1HB      ALA  49   2.322  -0.751  -3.810
  208    HB2  ALA  49           2HB      ALA  49   3.888  -1.001  -4.657
  209    HB3  ALA  49           3HB      ALA  49   3.168   0.609  -4.584
  210    H    ARG  50           H        ARG  50   4.271  -1.516  -7.196
  211    HA   ARG  50           HA       ARG  50   4.967   0.834  -8.741
  212    HE   ARG  50           HE       ARG  50   7.293  -3.909  -7.763
  213    HB2  ARG  50           2HB      ARG  50   5.649  -2.110  -8.973
  214    HB3  ARG  50           3HB      ARG  50   6.481  -0.840  -9.892
  215    HG2  ARG  50           2HG      ARG  50   7.425   0.140  -7.954
  216    HG3  ARG  50           3HG      ARG  50   6.353  -0.659  -6.848
  217    HD2  ARG  50           2HD      ARG  50   8.881  -1.458  -7.795
  218    HD3  ARG  50           3HD      ARG  50   7.942  -2.060  -6.411
  219   HH11  ARG  50          1HH2      ARG  50   9.091  -1.667  -9.765
  220   HH12  ARG  50          2HH2      ARG  50   9.177  -2.781 -11.103
  221   HH21  ARG  50          1HH1      ARG  50   7.410  -5.302  -9.566
  222   HH22  ARG  50          2HH1      ARG  50   8.276  -4.751 -10.972
  223    H    GLU  51           H        GLU  51   3.279  -2.183  -9.466
  224    HA   GLU  51           HA       GLU  51   2.478  -1.757 -12.157
  225    HB2  GLU  51           2HB      GLU  51   0.501  -2.736 -10.080
  226    HB3  GLU  51           3HB      GLU  51   0.299  -2.783 -11.721
  227    HG2  GLU  51           2HG      GLU  51   2.685  -4.083 -10.451
  228    HG3  GLU  51           3HG      GLU  51   1.183  -4.883 -10.339
  229    H    ASN  52           H        ASN  52   1.159  -0.370  -9.301
  230    HA   ASN  52           HA       ASN  52  -1.065   0.950 -10.671
  231    HB2  ASN  52           2HB      ASN  52  -0.244  -0.102  -8.015
  232    HB3  ASN  52           3HB      ASN  52  -1.095   1.326  -7.889
  233   HD21  ASN  52          2HD2      ASN  52  -1.211  -1.976  -8.916
  234   HD22  ASN  52          1HD2      ASN  52  -2.961  -2.090  -8.964
  235    H    SER  53           H        SER  53   1.921   1.972  -9.291
  236    HA   SER  53           HA       SER  53   3.071   3.764 -10.135
  237    HG   SER  53           HG       SER  53  -0.264   5.032  -9.777
  238    HB2  SER  53           2HB      SER  53   2.274   5.935 -10.560
  239    HB3  SER  53           3HB      SER  53   1.257   4.780 -11.416
  240    H    LEU  54           H        LEU  54   1.970   2.857  -7.341
  241    HA   LEU  54           HA       LEU  54   3.022   4.989  -5.576
  242    HG   LEU  54           HG       LEU  54   0.224   3.066  -4.130
  243    HB2  LEU  54           2HB      LEU  54   1.903   2.220  -5.247
  244    HB3  LEU  54           3HB      LEU  54   2.991   2.751  -4.021
  245   HD11  LEU  54          1HD1      LEU  54   1.606   2.728  -2.085
  246   HD12  LEU  54          2HD1      LEU  54   2.297   4.342  -2.314
  247   HD13  LEU  54          3HD1      LEU  54   0.609   4.172  -1.887
  248   HD21  LEU  54          3HD2      LEU  54   1.498   5.828  -4.221
  249   HD22  LEU  54          1HD2      LEU  54   0.417   5.132  -5.457
  250   HD23  LEU  54          2HD2      LEU  54  -0.171   5.446  -3.822
  251    H    GLU  55           H        GLU  55   4.713   4.346  -4.136
  252    HA   GLU  55           HA       GLU  55   6.846   2.529  -5.005
  253    HB2  GLU  55           2HB      GLU  55   7.275   4.504  -6.307
  254    HB3  GLU  55           3HB      GLU  55   6.947   5.559  -4.952
  255    HG2  GLU  55           2HG      GLU  55   9.257   5.492  -5.406
  256    HG3  GLU  55           3HG      GLU  55   8.954   4.906  -3.798
  257    H    THR  56           H        THR  56   6.231   5.183  -3.028
  258    HA   THR  56           HA       THR  56   6.433   5.814  -0.845
  259    HB   THR  56           HB       THR  56   5.578   4.485   0.815
  260    HG1  THR  56           1HG      THR  56   6.431   2.276  -0.733
  261   HG21  THR  56          1HG2      THR  56   4.329   3.239  -1.627
  262   HG22  THR  56          2HG2      THR  56   3.657   3.332   0.002
  263   HG23  THR  56          3HG2      THR  56   3.914   4.812  -0.881
  264    H    THR  57           H        THR  57   7.555   5.003   1.467
  265    HA   THR  57           HA       THR  57  10.459   4.735   0.960
  266    HB   THR  57           HB       THR  57   8.989   4.578   3.617
  267    HG1  THR  57           1HG      THR  57   8.945   6.660   3.755
  268   HG21  THR  57          1HG2      THR  57  11.052   5.536   4.538
  269   HG22  THR  57          2HG2      THR  57  11.355   3.984   3.746
  270   HG23  THR  57          3HG2      THR  57  11.802   5.500   2.928
  271    H    PHE  58           H        PHE  58   7.796   2.968   2.543
  272    HA   PHE  58           HA       PHE  58   8.958   0.332   2.323
  273    HD1  PHE  58           HD1      PHE  58   8.980   3.463   5.635
  274    HD2  PHE  58           HD2      PHE  58   8.581  -0.810   6.067
  275    HE1  PHE  58           HE1      PHE  58   8.027   3.765   7.907
  276    HE2  PHE  58           HE2      PHE  58   7.565  -0.490   8.303
  277    HZ   PHE  58           HZ       PHE  58   7.287   1.801   9.225
  278    HB2  PHE  58           2HB      PHE  58   9.951   0.148   4.323
  279    HB3  PHE  58           3HB      PHE  58  10.224   1.841   4.161
  280    H    SER  59           H        SER  59   7.734  -1.241   3.730
  281    HA   SER  59           HA       SER  59   5.189  -0.229   4.841
  282    HG   SER  59           HG       SER  59   3.157  -2.627   3.200
  283    HB2  SER  59           2HB      SER  59   4.561  -0.885   2.688
  284    HB3  SER  59           3HB      SER  59   5.384  -2.425   2.810
  285    H    SER  60           H        SER  60   4.508  -1.284   6.569
  286    HA   SER  60           HA       SER  60   6.028  -3.454   7.881
  287    HG   SER  60           HG       SER  60   5.931  -1.968   9.955
  288    HB2  SER  60           2HB      SER  60   3.464  -1.949   8.535
  289    HB3  SER  60           3HB      SER  60   4.133  -3.236   9.560
  290    H    VAL  61           H        VAL  61   5.811  -5.319   6.641
  291    HA   VAL  61           HA       VAL  61   3.087  -6.511   6.402
  292    HB   VAL  61           HB       VAL  61   5.103  -7.195   4.292
  293   HG11  VAL  61          1HG1      VAL  61   2.948  -8.403   4.262
  294   HG12  VAL  61          2HG1      VAL  61   2.068  -6.871   4.269
  295   HG13  VAL  61          3HG1      VAL  61   3.016  -7.338   2.880
  296   HG21  VAL  61          3HG2      VAL  61   3.472  -4.666   4.190
  297   HG22  VAL  61          1HG2      VAL  61   5.233  -4.815   4.030
  298   HG23  VAL  61          2HG2      VAL  61   4.163  -5.441   2.769
  299    H    ASN  62           H        ASN  62   3.269  -8.874   5.898
  300    HA   ASN  62           HA       ASN  62   4.012 -10.984   6.108
  301    HB2  ASN  62           2HB      ASN  62   6.631  -9.999   7.214
  302    HB3  ASN  62           3HB      ASN  62   6.331 -11.517   6.381
  303   HD21  ASN  62          1HD2      ASN  62   8.060  -8.884   6.027
  304   HD22  ASN  62          2HD2      ASN  62   7.940  -8.645   4.290
  305    H    THR  63           H        THR  63   4.395  -8.839   8.847
  306    HA   THR  63           HA       THR  63   4.985 -10.690  10.887
  307    HB   THR  63           HB       THR  63   4.198  -8.850  12.427
  308    HG1  THR  63           1HG      THR  63   3.722  -6.876  11.401
  309   HG21  THR  63          1HG2      THR  63   6.097  -7.995  10.190
  310   HG22  THR  63          2HG2      THR  63   6.006  -7.311  11.825
  311   HG23  THR  63          3HG2      THR  63   6.540  -8.983  11.599
  312    H    ARG  64           H        ARG  64   1.872  -8.959  11.082
  313    HA   ARG  64           HA       ARG  64   0.209 -11.353  10.971
  314    HE   ARG  64           HE       ARG  64   1.683 -13.234  11.447
  315    HB2  ARG  64           2HB      ARG  64   0.793 -10.004  13.648
  316    HB3  ARG  64           3HB      ARG  64  -0.748 -10.773  13.362
  317    HG2  ARG  64           2HG      ARG  64   1.923 -12.194  13.497
  318    HG3  ARG  64           3HG      ARG  64   0.621 -12.191  14.663
  319    HD2  ARG  64           2HD      ARG  64   0.347 -14.245  13.629
  320    HD3  ARG  64           3HD      ARG  64  -0.871 -13.234  12.833
  321   HH11  ARG  64          1HH2      ARG  64  -1.246 -15.217  11.672
  322   HH12  ARG  64          2HH2      ARG  64  -1.040 -15.712   9.982
  323   HH21  ARG  64          1HH1      ARG  64   1.794 -14.039   9.387
  324   HH22  ARG  64          2HH1      ARG  64   0.520 -15.115   8.826
  325    H    ASP  65           H        ASP  65  -1.912 -11.012  11.053
  326    HA   ASP  65           HA       ASP  65  -3.375  -8.704  11.779
  327    HB2  ASP  65           2HB      ASP  65  -2.407  -8.096   9.380
  328    HB3  ASP  65           3HB      ASP  65  -3.617  -9.237   8.795
  329    H    PHE  66           H        PHE  66  -5.487  -9.769   9.620
  330    HA   PHE  66           HA       PHE  66  -6.522 -12.130  10.853
  331    HD1  PHE  66           HD1      PHE  66  -5.953 -13.081   6.888
  332    HD2  PHE  66           HD2      PHE  66  -7.266  -9.062   7.747
  333    HE1  PHE  66           HE1      PHE  66  -5.080 -12.324   4.695
  334    HE2  PHE  66           HE2      PHE  66  -6.510  -8.349   5.504
  335    HZ   PHE  66           HZ       PHE  66  -5.390  -9.973   3.976
  336    HB2  PHE  66           2HB      PHE  66  -7.716 -12.459   8.750
  337    HB3  PHE  66           3HB      PHE  66  -7.763 -10.776   9.267
  338    H    ASP  67           H        ASP  67  -4.010 -11.601   8.495
  339    HA   ASP  67           HA       ASP  67  -2.442 -13.800   9.373
  340    HB2  ASP  67           2HB      ASP  67  -3.805 -15.124   7.782
  341    HB3  ASP  67           3HB      ASP  67  -3.418 -13.982   6.490
  342    H    GLY  68           H        GLY  68  -2.901 -11.647   6.491
  343    HA2  GLY  68           2HA      GLY  68  -0.305 -10.327   7.023
  344    HA3  GLY  68           3HA      GLY  68  -0.400 -11.320   5.573
  345    H    THR  69           H        THR  69  -1.100  -8.342   7.025
  346    HA   THR  69           HA       THR  69  -2.144  -7.092   4.486
  347    HB   THR  69           HB       THR  69  -2.901  -5.254   5.883
  348    HG1  THR  69           1HG      THR  69  -3.036  -5.857   8.234
  349   HG21  THR  69          1HG2      THR  69  -4.004  -7.929   6.856
  350   HG22  THR  69          2HG2      THR  69  -4.798  -6.352   7.006
  351   HG23  THR  69          3HG2      THR  69  -4.500  -7.054   5.397
  352    H    GLY  70           H        GLY  70  -1.144  -5.110   3.948
  353    HA2  GLY  70           2HA      GLY  70   1.585  -4.743   5.120
  354    HA3  GLY  70           3HA      GLY  70   1.081  -4.139   3.547
  355    H    ALA  71           H        ALA  71   2.238  -2.624   5.652
  356    HA   ALA  71           HA       ALA  71   0.214  -0.552   5.421
  357    HB1  ALA  71           1HB      ALA  71   0.146   0.076   7.701
  358    HB2  ALA  71           2HB      ALA  71  -0.059  -1.665   7.693
  359    HB3  ALA  71           3HB      ALA  71   1.519  -0.983   8.129
  360    H    LEU  72           H        LEU  72   1.128   0.839   4.173
  361    HA   LEU  72           HA       LEU  72   3.978   1.055   3.666
  362    HG   LEU  72           HG       LEU  72   2.049   1.413   0.501
  363    HB2  LEU  72           2HB      LEU  72   1.574   2.413   2.586
  364    HB3  LEU  72           3HB      LEU  72   3.153   2.830   2.128
  365   HD11  LEU  72          1HD1      LEU  72   4.125   1.076  -0.115
  366   HD12  LEU  72          2HD1      LEU  72   4.727   0.979   1.543
  367   HD13  LEU  72          3HD1      LEU  72   4.050  -0.440   0.740
  368   HD21  LEU  72          3HD2      LEU  72   1.685  -0.924   0.772
  369   HD22  LEU  72          1HD2      LEU  72   2.250  -0.873   2.443
  370   HD23  LEU  72          2HD2      LEU  72   0.774  -0.029   2.003
  371    H    GLU  73           H        GLU  73   5.100   3.070   3.681
  372    HA   GLU  73           HA       GLU  73   3.942   5.421   5.196
  373    HB2  GLU  73           2HB      GLU  73   5.360   4.122   6.722
  374    HB3  GLU  73           3HB      GLU  73   6.687   4.193   5.565
  375    HG2  GLU  73           2HG      GLU  73   5.735   6.891   6.282
  376    HG3  GLU  73           3HG      GLU  73   6.168   5.953   7.694
  377    H    PHE  74           H        PHE  74   4.571   7.473   4.439
  378    HA   PHE  74           HA       PHE  74   7.002   7.704   2.871
  379    HD1  PHE  74           HD2      PHE  74   7.621   7.066   0.825
  380    HD2  PHE  74           HD1      PHE  74   5.498  10.716   0.139
  381    HE1  PHE  74           HE2      PHE  74   9.407   7.786  -0.734
  382    HE2  PHE  74           HE1      PHE  74   7.318  11.507  -1.336
  383    HZ   PHE  74           HZ       PHE  74   9.269  10.033  -1.801
  384    HB2  PHE  74           2HB      PHE  74   4.733   7.587   1.270
  385    HB3  PHE  74           3HB      PHE  74   4.739   9.248   1.733
  386    HA   PRO  75           HA       PRO  75   7.094  11.727   4.893
  387    HB2  PRO  75           2HB      PRO  75   8.853  12.514   2.575
  388    HB3  PRO  75           3HB      PRO  75   9.096  12.777   4.326
  389    HG2  PRO  75           2HG      PRO  75  10.429  10.796   3.069
  390    HG3  PRO  75           3HG      PRO  75   9.655  10.464   4.663
  391    HD2  PRO  75           2HD      PRO  75   8.560   9.914   1.891
  392    HD3  PRO  75           3HD      PRO  75   8.685   8.811   3.293
  393    H    SER  76           H        SER  76   5.437  11.368   1.885
  394    HA   SER  76           HA       SER  76   4.468  14.190   2.075
  395    HG   SER  76           HG       SER  76   6.760  14.563   1.039
  396    HB2  SER  76           2HB      SER  76   5.070  12.883  -0.536
  397    HB3  SER  76           3HB      SER  76   4.724  14.587  -0.218
  398    H    GLU  77           H        GLU  77   2.320  14.153   2.258
  399    HA   GLU  77           HA       GLU  77   0.783  11.846   2.023
  400    HB2  GLU  77           2HB      GLU  77  -1.201  13.281   2.280
  401    HB3  GLU  77           3HB      GLU  77   0.072  13.597   3.431
  402    HG2  GLU  77           2HG      GLU  77   0.782  15.540   1.840
  403    HG3  GLU  77           3HG      GLU  77  -0.774  15.278   1.044
  404    H    GLU  78           H        GLU  78   1.771  13.743  -0.627
  405    HA   GLU  78           HA       GLU  78  -0.235  13.353  -2.587
  406    HB2  GLU  78           2HB      GLU  78   2.803  13.144  -2.751
  407    HB3  GLU  78           3HB      GLU  78   1.742  13.203  -4.157
  408    HG2  GLU  78           2HG      GLU  78   1.044  15.436  -3.700
  409    HG3  GLU  78           3HG      GLU  78   1.703  15.409  -2.061
  410    H    ILE  79           H        ILE  79   2.261  11.040  -1.465
  411    HA   ILE  79           HA       ILE  79   1.453   8.935  -3.288
  412    HB   ILE  79           HB       ILE  79   3.182   8.780  -0.786
  413   HG12  ILE  79          2HG1      ILE  79   3.734  10.009  -3.397
  414   HG13  ILE  79          3HG1      ILE  79   4.376  10.352  -1.851
  415   HG21  ILE  79          1HG2      ILE  79   2.476   6.565  -1.706
  416   HG22  ILE  79          2HG2      ILE  79   3.274   6.984  -3.248
  417   HG23  ILE  79          3HG2      ILE  79   4.216   6.820  -1.748
  418   HD11  ILE  79          3HD1      ILE  79   5.912   8.316  -2.164
  419   HD12  ILE  79          1HD1      ILE  79   5.254   8.170  -3.808
  420   HD13  ILE  79          2HD1      ILE  79   6.143   9.623  -3.338
  421    H    LEU  80           H        LEU  80   0.735   9.703   0.070
  422    HA   LEU  80           HA       LEU  80  -0.670   7.399   0.839
  423    HG   LEU  80           HG       LEU  80  -2.858  10.194   1.935
  424    HB2  LEU  80           2HB      LEU  80  -0.283   8.701   2.617
  425    HB3  LEU  80           3HB      LEU  80  -0.378  10.183   1.753
  426   HD11  LEU  80          1HD1      LEU  80  -4.000   8.786   3.471
  427   HD12  LEU  80          2HD1      LEU  80  -3.128   7.701   2.374
  428   HD13  LEU  80          3HD1      LEU  80  -2.488   8.030   4.005
  429   HD21  LEU  80          3HD2      LEU  80  -1.385   9.945   4.569
  430   HD22  LEU  80          1HD2      LEU  80  -1.434  11.398   3.553
  431   HD23  LEU  80          2HD2      LEU  80  -2.927  10.779   4.292
  432    H    VAL  81           H        VAL  81  -1.827  10.469  -0.562
  433    HA   VAL  81           HA       VAL  81  -4.639   9.748  -0.626
  434    HB   VAL  81           HB       VAL  81  -3.006  11.979  -1.946
  435   HG11  VAL  81          1HG1      VAL  81  -6.047  11.716  -1.827
  436   HG12  VAL  81          2HG1      VAL  81  -5.169  13.186  -2.301
  437   HG13  VAL  81          3HG1      VAL  81  -5.042  11.734  -3.289
  438   HG21  VAL  81          3HG2      VAL  81  -4.005  13.440  -0.250
  439   HG22  VAL  81          1HG2      VAL  81  -4.939  12.073   0.405
  440   HG23  VAL  81          2HG2      VAL  81  -3.170  12.104   0.529
  441    H    GLU  82           H        GLU  82  -1.990   9.696  -2.976
  442    HA   GLU  82           HA       GLU  82  -3.321   8.902  -5.247
  443    HB2  GLU  82           2HB      GLU  82  -0.678   8.762  -3.919
  444    HB3  GLU  82           3HB      GLU  82  -0.972   7.384  -4.812
  445    HG2  GLU  82           2HG      GLU  82  -1.110  10.249  -5.723
  446    HG3  GLU  82           3HG      GLU  82   0.205   9.127  -6.098
  447    H    ALA  83           H        ALA  83  -1.794   6.597  -2.881
  448    HA   ALA  83           HA       ALA  83  -3.218   4.342  -3.948
  449    HB1  ALA  83           1HB      ALA  83  -1.927   4.832  -1.275
  450    HB2  ALA  83           2HB      ALA  83  -2.737   3.289  -1.688
  451    HB3  ALA  83           3HB      ALA  83  -1.404   3.858  -2.688
  452    H    LEU  84           H        LEU  84  -4.358   6.554  -1.359
  453    HA   LEU  84           HA       LEU  84  -6.714   5.039  -0.661
  454    HG   LEU  84           HG       LEU  84  -5.021   7.883   1.106
  455    HB2  LEU  84           2HB      LEU  84  -6.351   8.062  -0.622
  456    HB3  LEU  84           3HB      LEU  84  -7.652   7.200   0.096
  457   HD11  LEU  84          1HD1      LEU  84  -7.163   8.500   2.102
  458   HD12  LEU  84          2HD1      LEU  84  -7.501   6.789   2.453
  459   HD13  LEU  84          3HD1      LEU  84  -6.129   7.626   3.240
  460   HD21  LEU  84          3HD2      LEU  84  -4.358   5.603   0.801
  461   HD22  LEU  84          1HD2      LEU  84  -4.755   5.824   2.509
  462   HD23  LEU  84          2HD2      LEU  84  -5.917   5.012   1.378
  463    H    GLU  85           H        GLU  85  -5.977   7.049  -3.439
  464    HA   GLU  85           HA       GLU  85  -8.646   6.364  -4.452
  465    HB2  GLU  85           2HB      GLU  85  -6.845   8.691  -5.194
  466    HB3  GLU  85           3HB      GLU  85  -8.386   8.338  -5.987
  467    HG2  GLU  85           2HG      GLU  85  -9.536   8.557  -3.751
  468    HG3  GLU  85           3HG      GLU  85  -8.012   9.120  -3.061
  469    H    ARG  86           H        ARG  86  -5.685   5.067  -4.819
  470    HA   ARG  86           HA       ARG  86  -6.142   4.368  -7.689
  471    HE   ARG  86           HE       ARG  86  -5.115   6.527 -10.810
  472    HB2  ARG  86           2HB      ARG  86  -3.915   5.617  -6.473
  473    HB3  ARG  86           3HB      ARG  86  -3.418   4.004  -6.564
  474    HG2  ARG  86           2HG      ARG  86  -2.673   5.099  -8.525
  475    HG3  ARG  86           3HG      ARG  86  -4.114   4.200  -9.093
  476    HD2  ARG  86           2HD      ARG  86  -5.500   6.295  -8.512
  477    HD3  ARG  86           3HD      ARG  86  -3.998   7.123  -8.173
  478   HH11  ARG  86          2HH1      ARG  86  -2.083   7.216  -9.181
  479   HH12  ARG  86          1HH1      ARG  86  -1.178   7.226 -10.668
  480   HH21  ARG  86          1HH2      ARG  86  -3.919   6.754 -12.705
  481   HH22  ARG  86          2HH2      ARG  86  -2.228   7.157 -12.612
  482    H    LEU  87           H        LEU  87  -5.468   3.056  -4.471
  483    HA   LEU  87           HA       LEU  87  -5.718   0.320  -5.519
  484    HG   LEU  87           HG       LEU  87  -3.360  -0.185  -5.589
  485    HB2  LEU  87           2HB      LEU  87  -4.048   1.524  -3.275
  486    HB3  LEU  87           3HB      LEU  87  -4.434  -0.136  -3.366
  487   HD11  LEU  87          1HD1      LEU  87  -3.252   1.696  -6.571
  488   HD12  LEU  87          2HD1      LEU  87  -2.835   2.613  -5.062
  489   HD13  LEU  87          3HD1      LEU  87  -1.600   1.679  -5.895
  490   HD21  LEU  87          3HD2      LEU  87  -1.037  -0.176  -4.731
  491   HD22  LEU  87          1HD2      LEU  87  -1.566   0.784  -3.325
  492   HD23  LEU  87          2HD2      LEU  87  -2.123  -0.892  -3.539
  493    H    ASN  88           H        ASN  88  -7.624   2.574  -3.954
  494    HA   ASN  88           HA       ASN  88  -8.453   0.870  -1.771
  495    HB2  ASN  88           2HB      ASN  88  -8.574   3.353  -1.637
  496    HB3  ASN  88           3HB      ASN  88  -9.917   3.312  -2.795
  497   HD21  ASN  88          2HD2      ASN  88 -11.387   4.127  -1.203
  498   HD22  ASN  88          1HD2      ASN  88 -11.781   3.196   0.231
  499    H    ASN  89           H        ASN  89  -9.212  -1.005  -2.225
  500    HA   ASN  89           HA       ASN  89 -10.565  -2.668  -2.703
  501    HB2  ASN  89           2HB      ASN  89 -12.259  -1.114  -1.758
  502    HB3  ASN  89           3HB      ASN  89 -12.796  -0.766  -3.408
  503   HD21  ASN  89          1HD2      ASN  89 -12.328  -3.276  -0.908
  504   HD22  ASN  89          2HD2      ASN  89 -13.529  -4.384  -1.563
  505    H    ILE  90           H        ILE  90  -8.695  -2.446  -4.276
  506    HA   ILE  90           HA       ILE  90  -9.629  -2.774  -7.105
  507    HB   ILE  90           HB       ILE  90  -7.338  -2.316  -7.855
  508   HG12  ILE  90          2HG1      ILE  90  -6.352  -1.706  -5.118
  509   HG13  ILE  90          3HG1      ILE  90  -6.238  -3.326  -5.749
  510   HG21  ILE  90          1HG2      ILE  90  -8.194  -0.137  -5.944
  511   HG22  ILE  90          2HG2      ILE  90  -7.261   0.003  -7.450
  512   HG23  ILE  90          3HG2      ILE  90  -8.955  -0.471  -7.506
  513   HD11  ILE  90          3HD1      ILE  90  -4.245  -2.069  -6.186
  514   HD12  ILE  90          1HD1      ILE  90  -4.995  -2.702  -7.655
  515   HD13  ILE  90          2HD1      ILE  90  -5.130  -0.965  -7.258
  516    H    GLU  91           H        GLU  91  -9.100  -4.529  -8.251
  517    HA   GLU  91           HA       GLU  91  -8.446  -6.914  -6.685
  518    HB2  GLU  91           2HB      GLU  91 -10.254  -6.932  -8.241
  519    HB3  GLU  91           3HB      GLU  91  -9.162  -6.472  -9.532
  520    HG2  GLU  91           2HG      GLU  91  -8.371  -8.950  -8.119
  521    HG3  GLU  91           3HG      GLU  91  -9.945  -9.014  -8.818
  522    H    PHE  92           H        PHE  92  -6.675  -7.651  -6.429
  523    HA   PHE  92           HA       PHE  92  -4.184  -6.676  -7.667
  524    HD1  PHE  92           HD1      PHE  92  -1.945  -7.787  -7.022
  525    HD2  PHE  92           HD2      PHE  92  -3.550  -7.500  -3.035
  526    HE1  PHE  92           HE1      PHE  92   0.321  -8.060  -6.090
  527    HE2  PHE  92           HE2      PHE  92  -1.263  -7.721  -2.106
  528    HZ   PHE  92           HZ       PHE  92   0.680  -7.878  -3.676
  529    HB2  PHE  92           2HB      PHE  92  -4.617  -6.302  -5.342
  530    HB3  PHE  92           3HB      PHE  92  -5.009  -7.872  -5.001
  531    H    ARG  93           H        ARG  93  -4.078  -8.109  -9.492
  532    HA   ARG  93           HA       ARG  93  -3.779 -10.004 -10.692
  533    HE   ARG  93           HE       ARG  93   0.319  -7.183 -11.153
  534    HB2  ARG  93           2HB      ARG  93  -1.804 -10.482  -8.417
  535    HB3  ARG  93           3HB      ARG  93  -1.913 -11.541  -9.810
  536    HG2  ARG  93           2HG      ARG  93  -0.215 -10.242 -10.444
  537    HG3  ARG  93           3HG      ARG  93  -1.553  -9.496 -11.308
  538    HD2  ARG  93           2HD      ARG  93  -1.584  -7.619  -9.787
  539    HD3  ARG  93           3HD      ARG  93  -0.552  -8.461  -8.624
  540   HH11  ARG  93          1HH1      ARG  93   1.393  -9.184  -8.413
  541   HH12  ARG  93          2HH1      ARG  93   3.072  -8.878  -8.869
  542   HH21  ARG  93          2HH2      ARG  93   2.424  -7.045 -11.602
  543   HH22  ARG  93          1HH2      ARG  93   3.620  -7.792 -10.503
  544    H    GLY  94           H        GLY  94  -6.078 -10.210  -8.977
  545    HA2  GLY  94           2HA      GLY  94  -7.641 -12.030  -8.972
  546    HA3  GLY  94           3HA      GLY  94  -6.346 -13.183  -8.682
  547    H    SER  95           H        SER  95  -5.797 -10.567  -6.509
  548    HA   SER  95           HA       SER  95  -7.500 -11.714  -4.345
  549    HG   SER  95           HG       SER  95  -4.531 -12.332  -4.803
  550    HB2  SER  95           2HB      SER  95  -4.878 -10.133  -4.222
  551    HB3  SER  95           3HB      SER  95  -5.841 -10.704  -2.867
  552    H    VAL  96           H        VAL  96  -7.528  -9.341  -2.833
  553    HA   VAL  96           HA       VAL  96  -7.684  -7.087  -4.701
  554    HB   VAL  96           HB       VAL  96  -9.741  -6.716  -4.990
  555   HG11  VAL  96          1HG1      VAL  96 -11.569  -8.155  -4.402
  556   HG12  VAL  96          2HG1      VAL  96 -10.192  -8.998  -5.089
  557   HG13  VAL  96          3HG1      VAL  96 -10.491  -9.083  -3.321
  558   HG21  VAL  96          3HG2      VAL  96  -9.919  -5.260  -3.114
  559   HG22  VAL  96          1HG2      VAL  96 -11.415  -6.128  -3.366
  560   HG23  VAL  96          2HG2      VAL  96 -10.339  -6.627  -2.047
  561    H    ILE  97           H        ILE  97  -7.572  -4.998  -3.492
  562    HA   ILE  97           HA       ILE  97  -7.086  -5.256  -0.565
  563    HB   ILE  97           HB       ILE  97  -5.342  -3.425  -0.863
  564   HG12  ILE  97          2HG1      ILE  97  -5.103  -4.694  -3.612
  565   HG13  ILE  97          3HG1      ILE  97  -5.709  -3.062  -3.285
  566   HG21  ILE  97          1HG2      ILE  97  -4.620  -6.264  -1.638
  567   HG22  ILE  97          2HG2      ILE  97  -3.527  -5.050  -0.898
  568   HG23  ILE  97          3HG2      ILE  97  -4.890  -5.681   0.010
  569   HD11  ILE  97          3HD1      ILE  97  -3.488  -2.473  -2.294
  570   HD12  ILE  97          1HD1      ILE  97  -2.872  -4.057  -2.851
  571   HD13  ILE  97          2HD1      ILE  97  -3.448  -2.867  -4.028
  572    H    THR  98           H        THR  98  -7.673  -3.668   0.592
  573    HA   THR  98           HA       THR  98  -9.057  -1.245  -0.470
  574    HB   THR  98           HB       THR  98  -9.506  -2.814   2.062
  575    HG1  THR  98           1HG      THR  98 -10.370  -3.898   0.296
  576   HG21  THR  98          1HG2      THR  98 -11.417  -1.461   2.481
  577   HG22  THR  98          2HG2      THR  98 -10.037  -0.367   2.253
  578   HG23  THR  98          3HG2      THR  98 -11.226  -0.591   0.947
  579    H    VAL  99           H        VAL  99  -8.264   0.655   0.438
  580    HA   VAL  99           HA       VAL  99  -5.955   0.347   2.280
  581    HB   VAL  99           HB       VAL  99  -4.446   1.560   0.925
  582   HG11  VAL  99          1HG1      VAL  99  -4.043   0.022  -0.865
  583   HG12  VAL  99          2HG1      VAL  99  -4.762  -0.908   0.446
  584   HG13  VAL  99          3HG1      VAL  99  -5.747  -0.472  -0.936
  585   HG21  VAL  99          3HG2      VAL  99  -5.059   2.120  -1.429
  586   HG22  VAL  99          1HG2      VAL  99  -6.753   1.835  -0.968
  587   HG23  VAL  99          2HG2      VAL  99  -5.813   3.130  -0.193
  588    H    GLU 100           H        GLU 100  -5.489   1.968   3.529
  589    HA   GLU 100           HA       GLU 100  -6.843   4.610   3.278
  590    HB2  GLU 100           2HB      GLU 100  -8.142   4.388   5.343
  591    HB3  GLU 100           3HB      GLU 100  -8.739   3.321   4.093
  592    HG2  GLU 100           2HG      GLU 100  -6.907   2.379   6.355
  593    HG3  GLU 100           3HG      GLU 100  -8.651   2.474   6.512
  594    H    ARG 101           H        ARG 101  -6.374   6.113   4.755
  595    HA   ARG 101           HA       ARG 101  -3.862   6.299   6.060
  596    HE   ARG 101           HE       ARG 101  -6.947   9.836   8.397
  597    HB2  ARG 101           2HB      ARG 101  -4.789   8.288   7.030
  598    HB3  ARG 101           3HB      ARG 101  -5.246   8.186   5.345
  599    HG2  ARG 101           2HG      ARG 101  -7.474   7.163   6.172
  600    HG3  ARG 101           3HG      ARG 101  -6.981   7.667   7.783
  601    HD2  ARG 101           2HD      ARG 101  -6.859   9.781   5.646
  602    HD3  ARG 101           3HD      ARG 101  -8.464   9.141   6.008
  603   HH11  ARG 101          1HH1      ARG 101  -9.258  11.106   6.072
  604   HH12  ARG 101          2HH1      ARG 101  -9.792  12.356   7.158
  605   HH21  ARG 101          2HH2      ARG 101  -7.536  11.513   9.637
  606   HH22  ARG 101          1HH2      ARG 101  -8.860  12.566   9.161
  607    H    ASP 102           H        ASP 102  -3.098   5.573   7.828
  608    HA   ASP 102           HA       ASP 102  -4.827   4.168   9.819
  609    HB2  ASP 102           2HB      ASP 102  -3.647   2.740   8.143
  610    HB3  ASP 102           3HB      ASP 102  -2.109   3.344   8.749
  611    H    ASP 103           H        ASP 103  -2.342   6.570   9.553
  612    HA   ASP 103           HA       ASP 103  -2.224   6.654  12.543
  613    HB2  ASP 103           2HB      ASP 103   0.011   7.209  12.575
  614    HB3  ASP 103           3HB      ASP 103  -0.058   5.912  11.395
  615    H    ASN 104           H        ASN 104  -3.738   8.067  10.173
  616    HA   ASN 104           HA       ASN 104  -3.611  10.867  11.156
  617    HB2  ASN 104           2HB      ASN 104  -2.032  10.439   9.182
  618    HB3  ASN 104           3HB      ASN 104  -3.444  10.028   8.218
  619   HD21  ASN 104          2HD2      ASN 104  -5.056  12.312   9.480
  620   HD22  ASN 104          1HD2      ASN 104  -4.403  13.718   8.632
  Start of MODEL    2
    1    HA   PRO  25           HA       PRO  25   9.530  16.570   5.070
    2    HB2  PRO  25           2HB      PRO  25   7.866  14.365   4.743
    3    HB3  PRO  25           3HB      PRO  25   9.653  14.338   4.783
    4    HG2  PRO  25           2HG      PRO  25   7.719  13.911   7.087
    5    HG3  PRO  25           3HG      PRO  25   9.098  12.855   6.590
    6    HD2  PRO  25           2HD      PRO  25   9.538  14.582   8.561
    7    HD3  PRO  25           3HD      PRO  25  10.691  14.542   7.206
    8    H    ALA  26           H        ALA  26   7.431  16.503   3.566
    9    HA   ALA  26           HA       ALA  26   5.614  18.529   4.394
   10    HB1  ALA  26           1HB      ALA  26   4.431  17.941   2.316
   11    HB2  ALA  26           2HB      ALA  26   6.186  18.002   2.041
   12    HB3  ALA  26           3HB      ALA  26   5.354  16.434   2.189
   13    H    LYS  27           H        LYS  27   5.366  15.005   4.575
   14    HA   LYS  27           HA       LYS  27   3.093  15.164   6.499
   15    HB2  LYS  27           2HB      LYS  27   2.240  14.752   4.074
   16    HB3  LYS  27           3HB      LYS  27   3.186  13.296   4.061
   17    HG2  LYS  27           2HG      LYS  27   0.907  12.752   4.436
   18    HG3  LYS  27           3HG      LYS  27   1.810  12.292   5.823
   19    HD2  LYS  27           2HD      LYS  27   1.025  14.222   7.090
   20    HD3  LYS  27           3HD      LYS  27   0.331  14.940   5.620
   21    HE2  LYS  27           2HE      LYS  27  -1.031  12.641   5.572
   22    HE3  LYS  27           3HE      LYS  27  -0.656  12.633   7.300
   23    HZ1  LYS  27           3HZ      LYS  27  -1.678  14.870   7.406
   24    HZ2  LYS  27           1HZ      LYS  27  -2.033  14.811   5.799
   25    HZ3  LYS  27           2HZ      LYS  27  -2.738  13.751   6.864
   26    H    ARG  28           H        ARG  28   2.888  13.552   7.855
   27    HA   ARG  28           HA       ARG  28   4.354  11.085   7.262
   28    HE   ARG  28           HE       ARG  28   6.467  11.814   6.912
   29    HB2  ARG  28           2HB      ARG  28   3.852  12.258  10.066
   30    HB3  ARG  28           3HB      ARG  28   4.727  10.779   9.726
   31    HG2  ARG  28           2HG      ARG  28   5.748  13.493   8.781
   32    HG3  ARG  28           3HG      ARG  28   5.975  12.893  10.400
   33    HD2  ARG  28           2HD      ARG  28   7.943  12.518   8.917
   34    HD3  ARG  28           3HD      ARG  28   7.307  11.042   9.676
   35   HH11  ARG  28          2HH2      ARG  28   8.254   9.449   8.836
   36   HH12  ARG  28          1HH2      ARG  28   8.018   8.207   7.613
   37   HH21  ARG  28          2HH1      ARG  28   6.251  10.170   5.467
   38   HH22  ARG  28          1HH1      ARG  28   7.185   8.704   5.685
   39    H    TYR  29           H        TYR  29   3.257   9.418   7.223
   40    HA   TYR  29           HA       TYR  29   0.553   9.110   8.318
   41    HD1  TYR  29           HD2      TYR  29   0.048   6.776   5.158
   42    HD2  TYR  29           HD1      TYR  29   1.787  10.595   4.061
   43    HE1  TYR  29           HE2      TYR  29   0.959   5.771   3.102
   44    HE2  TYR  29           HE1      TYR  29   2.359   9.681   1.938
   45    HH   TYR  29           HH       TYR  29   2.355   7.739   0.533
   46    HB2  TYR  29           2HB      TYR  29  -0.603   8.896   6.288
   47    HB3  TYR  29           3HB      TYR  29   0.269  10.369   6.063
   48    H    ARG  30           H        ARG  30  -0.303   6.935   7.717
   49    HA   ARG  30           HA       ARG  30   1.440   5.005   6.389
   50    HE   ARG  30           HE       ARG  30  -1.248   1.704   9.944
   51    HB2  ARG  30           2HB      ARG  30   2.306   4.912   8.646
   52    HB3  ARG  30           3HB      ARG  30   0.704   4.693   9.273
   53    HG2  ARG  30           2HG      ARG  30   2.004   2.704   7.381
   54    HG3  ARG  30           3HG      ARG  30   2.347   2.664   9.095
   55    HD2  ARG  30           2HD      ARG  30  -0.363   2.264   7.789
   56    HD3  ARG  30           3HD      ARG  30   0.655   1.032   8.455
   57   HH11  ARG  30          1HH2      ARG  30   1.870   3.232  10.797
   58   HH12  ARG  30          2HH2      ARG  30   1.070   3.879  12.226
   59   HH21  ARG  30          1HH1      ARG  30  -1.897   2.398  11.732
   60   HH22  ARG  30          2HH1      ARG  30  -0.879   3.470  12.716
   61    H    ILE  31           H        ILE  31   0.204   3.530   5.344
   62    HA   ILE  31           HA       ILE  31  -2.767   3.526   5.805
   63    HB   ILE  31           HB       ILE  31  -3.149   3.128   3.478
   64   HG12  ILE  31          2HG1      ILE  31  -0.186   3.501   2.949
   65   HG13  ILE  31          3HG1      ILE  31  -1.043   1.948   2.918
   66   HG21  ILE  31          1HG2      ILE  31  -2.785   5.557   4.394
   67   HG22  ILE  31          2HG2      ILE  31  -1.298   5.539   3.471
   68   HG23  ILE  31          3HG2      ILE  31  -2.843   5.311   2.643
   69   HD11  ILE  31          3HD1      ILE  31  -2.525   2.789   1.142
   70   HD12  ILE  31          1HD1      ILE  31  -1.529   4.272   1.050
   71   HD13  ILE  31          2HD1      ILE  31  -0.808   2.698   0.680
   72    H    THR  32           H        THR  32  -3.846   1.697   5.316
   73    HA   THR  32           HA       THR  32  -2.430  -0.978   5.502
   74    HB   THR  32           HB       THR  32  -5.207  -0.009   6.088
   75    HG1  THR  32           1HG      THR  32  -4.656  -0.368   8.153
   76   HG21  THR  32          1HG2      THR  32  -5.604  -2.370   6.930
   77   HG22  THR  32          2HG2      THR  32  -5.408  -2.269   5.180
   78   HG23  THR  32          3HG2      THR  32  -4.057  -2.844   6.186
   79    H    MET  33           H        MET  33  -2.417  -2.185   3.889
   80    HA   MET  33           HA       MET  33  -4.552  -1.990   1.899
   81    HB2  MET  33           2HB      MET  33  -1.663  -2.670   1.164
   82    HB3  MET  33           3HB      MET  33  -3.021  -2.363   0.083
   83    HG2  MET  33           2HG      MET  33  -3.027   0.014   1.217
   84    HG3  MET  33           3HG      MET  33  -1.425  -0.436   1.748
   85    HE1  MET  33           3HE      MET  33  -0.087  -1.838  -0.318
   86    HE2  MET  33           1HE      MET  33  -1.421  -2.154  -1.452
   87    HE3  MET  33           2HE      MET  33  -0.017  -1.184  -1.981
   88    H    LYS  34           H        LYS  34  -5.702  -3.696   2.022
   89    HA   LYS  34           HA       LYS  34  -4.632  -6.378   2.845
   90    HB2  LYS  34           2HB      LYS  34  -4.771  -4.850   4.790
   91    HB3  LYS  34           3HB      LYS  34  -6.248  -4.158   4.100
   92    HG2  LYS  34           2HG      LYS  34  -6.543  -6.831   5.109
   93    HG3  LYS  34           3HG      LYS  34  -6.319  -5.442   6.213
   94    HD2  LYS  34           2HD      LYS  34  -8.436  -5.411   4.008
   95    HD3  LYS  34           3HD      LYS  34  -8.789  -5.981   5.555
   96    HE2  LYS  34           2HE      LYS  34  -9.306  -3.823   6.065
   97    HE3  LYS  34           3HE      LYS  34  -7.569  -3.464   6.076
   98    HZ1  LYS  34           3HZ      LYS  34  -7.748  -2.363   4.134
   99    HZ2  LYS  34           1HZ      LYS  34  -8.799  -3.436   3.442
  100    HZ3  LYS  34           2HZ      LYS  34  -9.278  -2.224   4.475
  101    H    ASN  35           H        ASN  35  -6.327  -7.934   2.844
  102    HA   ASN  35           HA       ASN  35  -8.947  -7.097   2.876
  103    HB2  ASN  35           2HB      ASN  35  -9.198  -6.489   0.676
  104    HB3  ASN  35           3HB      ASN  35  -7.907  -7.489   0.133
  105   HD21  ASN  35          1HD2      ASN  35  -8.626  -8.887  -1.386
  106   HD22  ASN  35          2HD2      ASN  35 -10.248  -9.590  -1.423
  107    H    LEU  36           H        LEU  36 -10.549  -9.169   2.612
  108    HA   LEU  36           HA       LEU  36  -9.856 -10.780   4.701
  109    HG   LEU  36           HG       LEU  36 -11.595 -13.370   3.917
  110    HB2  LEU  36           2HB      LEU  36 -12.111 -10.361   3.906
  111    HB3  LEU  36           3HB      LEU  36 -11.838 -11.347   2.477
  112   HD11  LEU  36          1HD1      LEU  36 -10.834 -12.353   6.033
  113   HD12  LEU  36          2HD1      LEU  36 -12.369 -11.466   6.184
  114   HD13  LEU  36          3HD1      LEU  36 -12.338 -13.240   6.290
  115   HD21  LEU  36          3HD2      LEU  36 -13.972 -13.528   4.519
  116   HD22  LEU  36          1HD2      LEU  36 -14.139 -11.761   4.387
  117   HD23  LEU  36          2HD2      LEU  36 -13.769 -12.737   2.947
  118    HA   PRO  37           HA       PRO  37  -8.041 -14.420   2.350
  119    HB2  PRO  37           2HB      PRO  37  -7.955 -14.698  -0.297
  120    HB3  PRO  37           3HB      PRO  37  -9.539 -14.681   0.527
  121    HG2  PRO  37           2HG      PRO  37  -8.148 -12.366  -0.871
  122    HG3  PRO  37           3HG      PRO  37  -9.837 -12.930  -1.080
  123    HD2  PRO  37           2HD      PRO  37  -9.019 -10.909   0.656
  124    HD3  PRO  37           3HD      PRO  37 -10.517 -11.868   0.857
  125    H    GLU  38           H        GLU  38  -6.776 -11.305   2.009
  126    HA   GLU  38           HA       GLU  38  -4.116 -12.292   1.115
  127    HB2  GLU  38           2HB      GLU  38  -5.365 -11.585  -0.900
  128    HB3  GLU  38           3HB      GLU  38  -5.646 -10.005  -0.142
  129    HG2  GLU  38           3HG      GLU  38  -3.972  -9.840  -1.750
  130    HG3  GLU  38           2HG      GLU  38  -3.217  -9.534  -0.174
  131    H    GLY  39           H        GLY  39  -2.561 -11.585   2.255
  132    HA2  GLY  39           2HA      GLY  39  -2.579  -8.835   3.440
  133    HA3  GLY  39           3HA      GLY  39  -1.929 -10.273   4.233
  134    H    CYS  40           H        CYS  40  -1.157 -10.706   1.042
  135    HA   CYS  40           HA       CYS  40   0.599 -10.437  -0.303
  136    HG   CYS  40           HG       CYS  40  -1.738  -8.178   0.700
  137    HB2  CYS  40           2HB      CYS  40   0.902  -7.664   0.857
  138    HB3  CYS  40           3HB      CYS  40   1.213  -8.242  -0.781
  139    H    SER  41           H        SER  41   2.894  -9.136  -0.379
  140    HA   SER  41           HA       SER  41   4.597  -9.618   1.984
  141    HG   SER  41           HG       SER  41   4.423 -11.987  -0.699
  142    HB2  SER  41           2HB      SER  41   5.572 -10.265  -0.788
  143    HB3  SER  41           3HB      SER  41   6.329 -10.659   0.754
  144    H    TRP  42           H        TRP  42   6.617  -8.102   1.817
  145    HA   TRP  42           HA       TRP  42   5.691  -5.618   0.751
  146    HD1  TRP  42           HD1      TRP  42  10.147  -4.278   1.814
  147    HE1  TRP  42           HE1      TRP  42  10.280  -1.978   0.691
  148    HE3  TRP  42           HE3      TRP  42   5.249  -3.782   0.258
  149    HZ2  TRP  42           HZ2      TRP  42   8.554  -0.274  -0.906
  150    HZ3  TRP  42           HZ3      TRP  42   4.603  -1.938  -1.184
  151    HH2  TRP  42           HH2      TRP  42   6.174  -0.183  -1.745
  152    HB2  TRP  42           2HB      TRP  42   7.258  -5.592   2.611
  153    HB3  TRP  42           3HB      TRP  42   8.509  -6.296   1.605
  154    H    GLN  43           H        GLN  43   8.155  -7.875  -0.402
  155    HA   GLN  43           HA       GLN  43   8.828  -6.528  -2.740
  156    HB2  GLN  43           2HB      GLN  43   9.362  -8.893  -3.626
  157    HB3  GLN  43           3HB      GLN  43  10.187  -8.392  -2.162
  158    HG2  GLN  43           2HG      GLN  43   7.624  -9.992  -1.867
  159    HG3  GLN  43           3HG      GLN  43   9.084 -10.808  -2.391
  160   HE21  GLN  43          2HE2      GLN  43  10.602 -11.424  -0.811
  161   HE22  GLN  43          1HE2      GLN  43  10.418 -10.960   0.871
  162    H    ASP  44           H        ASP  44   5.939  -8.210  -2.164
  163    HA   ASP  44           HA       ASP  44   5.159  -8.495  -4.988
  164    HB2  ASP  44           2HB      ASP  44   3.903  -9.073  -2.269
  165    HB3  ASP  44           3HB      ASP  44   3.069  -9.198  -3.775
  166    H    LEU  45           H        LEU  45   4.268  -6.545  -2.124
  167    HA   LEU  45           HA       LEU  45   2.340  -4.953  -3.564
  168    HG   LEU  45           HG       LEU  45   1.622  -6.240  -1.233
  169    HB2  LEU  45           2HB      LEU  45   3.685  -4.965  -0.863
  170    HB3  LEU  45           3HB      LEU  45   2.886  -3.498  -1.379
  171   HD11  LEU  45          1HD1      LEU  45   2.178  -5.153   0.914
  172   HD12  LEU  45          2HD1      LEU  45   1.382  -3.662   0.384
  173   HD13  LEU  45          3HD1      LEU  45   0.415  -5.151   0.669
  174   HD21  LEU  45          3HD2      LEU  45  -0.561  -4.833  -1.427
  175   HD22  LEU  45          1HD2      LEU  45   0.490  -3.556  -2.095
  176   HD23  LEU  45          2HD2      LEU  45   0.335  -5.105  -2.913
  177    H    LYS  46           H        LYS  46   5.769  -4.536  -2.941
  178    HA   LYS  46           HA       LYS  46   6.131  -1.823  -4.085
  179    HB2  LYS  46           2HB      LYS  46   7.904  -3.036  -2.850
  180    HB3  LYS  46           3HB      LYS  46   7.807  -4.344  -4.020
  181    HG2  LYS  46           2HG      LYS  46   8.409  -2.421  -5.801
  182    HG3  LYS  46           3HG      LYS  46   8.926  -1.553  -4.351
  183    HD2  LYS  46           2HD      LYS  46  10.883  -2.669  -4.721
  184    HD3  LYS  46           3HD      LYS  46  10.026  -3.922  -3.835
  185    HE2  LYS  46           2HE      LYS  46  10.431  -3.678  -6.855
  186    HE3  LYS  46           3HE      LYS  46  11.150  -4.887  -5.793
  187    HZ1  LYS  46           3HZ      LYS  46   9.247  -5.758  -7.095
  188    HZ2  LYS  46           1HZ      LYS  46   8.922  -5.862  -5.489
  189    HZ3  LYS  46           2HZ      LYS  46   8.258  -4.694  -6.427
  190    H    ASP  47           H        ASP  47   6.196  -5.140  -5.464
  191    HA   ASP  47           HA       ASP  47   6.396  -4.175  -8.114
  192    HB2  ASP  47           2HB      ASP  47   5.968  -6.738  -6.822
  193    HB3  ASP  47           3HB      ASP  47   4.755  -6.579  -8.048
  194    H    LEU  48           H        LEU  48   3.336  -4.995  -6.418
  195    HA   LEU  48           HA       LEU  48   1.752  -3.968  -8.516
  196    HG   LEU  48           HG       LEU  48  -0.550  -3.413  -8.146
  197    HB2  LEU  48           2HB      LEU  48   0.754  -5.281  -6.788
  198    HB3  LEU  48           3HB      LEU  48   1.011  -4.013  -5.582
  199   HD11  LEU  48          1HD1      LEU  48  -2.651  -3.887  -6.861
  200   HD12  LEU  48          2HD1      LEU  48  -1.689  -5.305  -7.242
  201   HD13  LEU  48          3HD1      LEU  48  -1.674  -4.606  -5.583
  202   HD21  LEU  48          3HD2      LEU  48  -0.169  -1.472  -6.962
  203   HD22  LEU  48          1HD2      LEU  48  -1.792  -1.942  -6.546
  204   HD23  LEU  48          2HD2      LEU  48  -0.496  -2.272  -5.373
  205    H    ALA  49           H        ALA  49   3.053  -2.123  -5.711
  206    HA   ALA  49           HA       ALA  49   1.853   0.317  -6.357
  207    HB1  ALA  49           1HB      ALA  49   2.922   0.381  -4.376
  208    HB2  ALA  49           2HB      ALA  49   4.304  -0.615  -4.900
  209    HB3  ALA  49           3HB      ALA  49   4.261   1.073  -5.348
  210    H    ARG  50           H        ARG  50   4.792  -1.123  -7.766
  211    HA   ARG  50           HA       ARG  50   5.351   1.148  -9.471
  212    HE   ARG  50           HE       ARG  50   9.520   0.455  -7.251
  213    HB2  ARG  50           2HB      ARG  50   6.408  -1.527 -10.228
  214    HB3  ARG  50           3HB      ARG  50   7.146   0.064 -10.322
  215    HG2  ARG  50           2HG      ARG  50   6.929  -1.820  -8.034
  216    HG3  ARG  50           3HG      ARG  50   8.325  -1.164  -8.645
  217    HD2  ARG  50           2HD      ARG  50   6.528   0.775  -7.293
  218    HD3  ARG  50           3HD      ARG  50   7.437  -0.361  -6.335
  219   HH11  ARG  50          2HH1      ARG  50   6.890   2.825  -7.729
  220   HH12  ARG  50          1HH1      ARG  50   8.096   4.008  -8.223
  221   HH21  ARG  50          1HH2      ARG  50  10.832   2.169  -7.805
  222   HH22  ARG  50          2HH2      ARG  50  10.068   3.716  -8.167
  223    H    GLU  51           H        GLU  51   3.368  -1.755  -9.806
  224    HA   GLU  51           HA       GLU  51   2.640  -1.619 -12.578
  225    HB2  GLU  51           2HB      GLU  51   0.783  -2.406 -10.316
  226    HB3  GLU  51           3HB      GLU  51   0.468  -2.598 -11.943
  227    HG2  GLU  51           2HG      GLU  51   2.942  -3.788 -10.691
  228    HG3  GLU  51           3HG      GLU  51   1.478  -4.595 -10.440
  229    H    ASN  52           H        ASN  52   1.563   0.047  -9.779
  230    HA   ASN  52           HA       ASN  52  -0.776   1.198 -11.092
  231    HB2  ASN  52           2HB      ASN  52   0.199   0.339  -8.429
  232    HB3  ASN  52           3HB      ASN  52  -0.635   1.757  -8.290
  233   HD21  ASN  52          2HD2      ASN  52  -0.759  -1.558  -9.119
  234   HD22  ASN  52          1HD2      ASN  52  -2.508  -1.703  -9.150
  235    H    SER  53           H        SER  53   1.611   2.725  -8.901
  236    HA   SER  53           HA       SER  53   2.144   5.080 -10.367
  237    HG   SER  53           HG       SER  53  -0.942   6.150  -7.987
  238    HB2  SER  53           2HB      SER  53   0.644   6.717  -9.274
  239    HB3  SER  53           3HB      SER  53  -0.298   5.595 -10.244
  240    H    LEU  54           H        LEU  54   2.509   3.220  -7.637
  241    HA   LEU  54           HA       LEU  54   3.008   5.456  -5.732
  242    HG   LEU  54           HG       LEU  54   0.608   2.953  -5.287
  243    HB2  LEU  54           2HB      LEU  54   2.800   2.511  -5.428
  244    HB3  LEU  54           3HB      LEU  54   3.303   3.479  -4.104
  245   HD11  LEU  54          1HD1      LEU  54   1.485   3.425  -2.381
  246   HD12  LEU  54          2HD1      LEU  54   0.001   2.640  -2.959
  247   HD13  LEU  54          3HD1      LEU  54   1.557   1.856  -3.183
  248   HD21  LEU  54          3HD2      LEU  54  -0.467   4.857  -4.337
  249   HD22  LEU  54          1HD2      LEU  54   1.053   5.481  -3.666
  250   HD23  LEU  54          2HD2      LEU  54   0.765   5.448  -5.426
  251    H    GLU  55           H        GLU  55   4.790   5.563  -4.649
  252    HA   GLU  55           HA       GLU  55   7.270   4.147  -5.261
  253    HB2  GLU  55           2HB      GLU  55   7.044   5.780  -7.108
  254    HB3  GLU  55           3HB      GLU  55   6.986   7.115  -5.951
  255    HG2  GLU  55           2HG      GLU  55   9.201   6.870  -5.327
  256    HG3  GLU  55           3HG      GLU  55   9.259   5.153  -5.692
  257    H    THR  56           H        THR  56   6.109   3.877  -3.079
  258    HA   THR  56           HA       THR  56   6.111   5.982  -1.178
  259    HB   THR  56           HB       THR  56   5.311   4.382   0.361
  260    HG1  THR  56           1HG      THR  56   5.626   2.172   0.064
  261   HG21  THR  56          1HG2      THR  56   4.343   3.016  -2.113
  262   HG22  THR  56          2HG2      THR  56   3.464   3.479  -0.638
  263   HG23  THR  56          3HG2      THR  56   3.907   4.707  -1.815
  264    H    THR  57           H        THR  57   7.233   5.543   1.141
  265    HA   THR  57           HA       THR  57  10.145   5.422   0.876
  266    HB   THR  57           HB       THR  57   8.512   4.964   3.408
  267    HG1  THR  57           1HG      THR  57   8.301   7.018   3.686
  268   HG21  THR  57          1HG2      THR  57  10.411   6.011   4.552
  269   HG22  THR  57          2HG2      THR  57  10.906   4.554   3.684
  270   HG23  THR  57          3HG2      THR  57  11.280   6.157   3.002
  271    H    PHE  58           H        PHE  58   7.553   3.374   2.195
  272    HA   PHE  58           HA       PHE  58   8.920   0.850   1.846
  273    HD1  PHE  58           HD2      PHE  58   8.472   3.763   5.263
  274    HD2  PHE  58           HD1      PHE  58   8.653  -0.531   5.596
  275    HE1  PHE  58           HE2      PHE  58   7.425   3.879   7.510
  276    HE2  PHE  58           HE1      PHE  58   7.577  -0.407   7.824
  277    HZ   PHE  58           HZ       PHE  58   6.950   1.803   8.784
  278    HB2  PHE  58           2HB      PHE  58   9.807   0.585   3.866
  279    HB3  PHE  58           3HB      PHE  58  10.015   2.295   3.824
  280    H    SER  59           H        SER  59   7.861  -0.886   3.133
  281    HA   SER  59           HA       SER  59   5.268  -0.194   4.320
  282    HG   SER  59           HG       SER  59   3.437  -1.527   3.977
  283    HB2  SER  59           2HB      SER  59   4.657  -0.868   2.110
  284    HB3  SER  59           3HB      SER  59   5.539  -2.376   2.281
  285    H    SER  60           H        SER  60   4.743  -1.487   6.020
  286    HA   SER  60           HA       SER  60   6.580  -3.661   6.929
  287    HG   SER  60           HG       SER  60   5.440  -3.290  10.111
  288    HB2  SER  60           2HB      SER  60   5.598  -1.792   8.437
  289    HB3  SER  60           3HB      SER  60   4.056  -2.666   8.261
  290    H    VAL  61           H        VAL  61   6.062  -5.714   6.179
  291    HA   VAL  61           HA       VAL  61   3.209  -6.505   5.844
  292    HB   VAL  61           HB       VAL  61   5.116  -7.131   3.586
  293   HG11  VAL  61          1HG1      VAL  61   2.097  -6.709   3.660
  294   HG12  VAL  61          2HG1      VAL  61   3.030  -7.188   2.241
  295   HG13  VAL  61          3HG1      VAL  61   2.899  -8.282   3.611
  296   HG21  VAL  61          3HG2      VAL  61   3.507  -4.607   3.760
  297   HG22  VAL  61          1HG2      VAL  61   5.265  -4.728   3.555
  298   HG23  VAL  61          2HG2      VAL  61   4.187  -5.246   2.249
  299    H    ASN  62           H        ASN  62   2.761  -8.508   5.971
  300    HA   ASN  62           HA       ASN  62   2.802 -10.704   5.820
  301    HB2  ASN  62           2HB      ASN  62   3.825 -11.358   4.107
  302    HB3  ASN  62           3HB      ASN  62   4.594  -9.850   4.009
  303   HD21  ASN  62          1HD2      ASN  62   6.811  -9.648   4.261
  304   HD22  ASN  62          2HD2      ASN  62   7.781 -11.096   4.053
  305    H    THR  63           H        THR  63   2.808 -12.387   6.948
  306    HA   THR  63           HA       THR  63   2.585 -13.479   8.816
  307    HB   THR  63           HB       THR  63   4.636 -14.444   7.911
  308    HG1  THR  63           1HG      THR  63   4.220 -14.548  10.700
  309   HG21  THR  63          1HG2      THR  63   6.721 -14.264   9.310
  310   HG22  THR  63          2HG2      THR  63   6.385 -12.885   8.268
  311   HG23  THR  63          3HG2      THR  63   6.055 -12.769  10.011
  312    H    ARG  64           H        ARG  64   3.724 -10.377   9.306
  313    HA   ARG  64           HA       ARG  64   3.461 -10.396  12.243
  314    HE   ARG  64           HE       ARG  64   3.730  -5.003   8.768
  315    HB2  ARG  64           2HB      ARG  64   4.294  -8.151  12.111
  316    HB3  ARG  64           3HB      ARG  64   5.271  -9.172  11.079
  317    HG2  ARG  64           2HG      ARG  64   4.874  -7.862   9.281
  318    HG3  ARG  64           3HG      ARG  64   3.137  -8.105   9.437
  319    HD2  ARG  64           2HD      ARG  64   3.325  -6.284  11.364
  320    HD3  ARG  64           3HD      ARG  64   4.864  -5.908  10.594
  321   HH11  ARG  64          2HH2      ARG  64   1.383  -6.570  10.849
  322   HH12  ARG  64          1HH2      ARG  64   0.025  -5.969   9.931
  323   HH21  ARG  64          1HH1      ARG  64   1.935  -4.524   7.497
  324   HH22  ARG  64          2HH1      ARG  64   0.354  -4.865   8.092
  325    H    ASP  65           H        ASP  65   1.059 -11.042  10.720
  326    HA   ASP  65           HA       ASP  65  -0.880  -9.264  11.958
  327    HB2  ASP  65           2HB      ASP  65  -0.004  -8.377   9.507
  328    HB3  ASP  65           3HB      ASP  65  -1.305  -9.435   8.999
  329    H    PHE  66           H        PHE  66  -3.160  -9.958  10.618
  330    HA   PHE  66           HA       PHE  66  -3.906 -12.598  11.204
  331    HD1  PHE  66           HD2      PHE  66  -3.924  -9.356   8.403
  332    HD2  PHE  66           HD1      PHE  66  -6.598 -12.723   8.077
  333    HE1  PHE  66           HE2      PHE  66  -4.049  -9.034   5.924
  334    HE2  PHE  66           HE1      PHE  66  -6.767 -12.347   5.635
  335    HZ   PHE  66           HZ       PHE  66  -5.498 -10.514   4.561
  336    HB2  PHE  66           2HB      PHE  66  -5.886 -12.030  10.201
  337    HB3  PHE  66           3HB      PHE  66  -5.230 -10.422  10.449
  338    H    ASP  67           H        ASP  67  -2.295 -11.376   8.397
  339    HA   ASP  67           HA       ASP  67  -1.319 -13.963   7.490
  340    HB2  ASP  67           2HB      ASP  67  -3.500 -13.836   6.282
  341    HB3  ASP  67           3HB      ASP  67  -3.047 -12.256   5.643
  342    H    GLY  68           H        GLY  68  -1.655 -10.415   6.842
  343    HA2  GLY  68           2HA      GLY  68   1.150 -10.065   7.220
  344    HA3  GLY  68           3HA      GLY  68   0.787 -10.094   5.478
  345    H    THR  69           H        THR  69  -1.476  -8.603   5.363
  346    HA   THR  69           HA       THR  69  -1.906  -6.633   4.511
  347    HB   THR  69           HB       THR  69  -2.608  -4.904   5.826
  348    HG1  THR  69           1HG      THR  69  -1.717  -5.754   8.270
  349   HG21  THR  69          1HG2      THR  69  -2.993  -7.417   7.453
  350   HG22  THR  69          2HG2      THR  69  -3.928  -5.915   7.608
  351   HG23  THR  69          3HG2      THR  69  -3.988  -6.833   6.093
  352    H    GLY  70           H        GLY  70  -1.173  -5.134   3.257
  353    HA2  GLY  70           2HA      GLY  70   1.566  -4.210   3.182
  354    HA3  GLY  70           3HA      GLY  70   0.181  -3.653   2.233
  355    H    ALA  71           H        ALA  71   1.888  -3.111   5.335
  356    HA   ALA  71           HA       ALA  71   0.259  -0.661   5.600
  357    HB1  ALA  71           1HB      ALA  71   1.769  -0.492   7.765
  358    HB2  ALA  71           2HB      ALA  71   0.356  -1.579   7.693
  359    HB3  ALA  71           3HB      ALA  71   2.011  -2.205   7.478
  360    H    LEU  72           H        LEU  72   0.891   0.631   3.967
  361    HA   LEU  72           HA       LEU  72   3.731   1.044   3.208
  362    HG   LEU  72           HG       LEU  72   1.828   1.116   0.040
  363    HB2  LEU  72           2HB      LEU  72   1.098   1.895   2.161
  364    HB3  LEU  72           3HB      LEU  72   2.487   2.724   1.679
  365   HD11  LEU  72          1HD1      LEU  72   4.517   1.129   1.191
  366   HD12  LEU  72          2HD1      LEU  72   4.121  -0.291   0.223
  367   HD13  LEU  72          3HD1      LEU  72   3.942   1.276  -0.482
  368   HD21  LEU  72          3HD2      LEU  72   0.760  -0.553   1.366
  369   HD22  LEU  72          1HD2      LEU  72   2.010  -1.284   0.335
  370   HD23  LEU  72          2HD2      LEU  72   2.290  -1.041   2.064
  371    H    GLU  73           H        GLU  73   4.657   3.081   3.134
  372    HA   GLU  73           HA       GLU  73   3.392   5.436   4.598
  373    HB2  GLU  73           2HB      GLU  73   4.788   4.006   6.102
  374    HB3  GLU  73           3HB      GLU  73   6.179   4.338   5.069
  375    HG2  GLU  73           2HG      GLU  73   4.853   6.823   5.851
  376    HG3  GLU  73           3HG      GLU  73   5.185   5.829   7.271
  377    H    PHE  74           H        PHE  74   4.098   7.557   3.861
  378    HA   PHE  74           HA       PHE  74   6.546   7.755   2.273
  379    HD1  PHE  74           HD1      PHE  74   7.219   7.426  -0.023
  380    HD2  PHE  74           HD2      PHE  74   4.718  10.883  -0.143
  381    HE1  PHE  74           HE1      PHE  74   8.803   8.492  -1.595
  382    HE2  PHE  74           HE2      PHE  74   6.330  12.015  -1.638
  383    HZ   PHE  74           HZ       PHE  74   8.377  10.812  -2.390
  384    HB2  PHE  74           2HB      PHE  74   4.346   7.581   0.696
  385    HB3  PHE  74           3HB      PHE  74   4.151   9.187   1.239
  386    HA   PRO  75           HA       PRO  75   6.818  11.831   4.303
  387    HB2  PRO  75           2HB      PRO  75   8.390  13.201   2.419
  388    HB3  PRO  75           3HB      PRO  75   8.960  12.135   3.734
  389    HG2  PRO  75           2HG      PRO  75   8.426  11.408   0.852
  390    HG3  PRO  75           3HG      PRO  75   9.869  11.025   1.852
  391    HD2  PRO  75           2HD      PRO  75   8.029   9.160   1.600
  392    HD3  PRO  75           3HD      PRO  75   8.615   9.526   3.223
  393    H    SER  76           H        SER  76   4.824  11.450   1.553
  394    HA   SER  76           HA       SER  76   3.661  14.155   2.058
  395    HG   SER  76           HG       SER  76   5.202  15.076  -0.921
  396    HB2  SER  76           2HB      SER  76   4.085  12.928  -0.637
  397    HB3  SER  76           3HB      SER  76   3.236  14.424  -0.337
  398    H    GLU  77           H        GLU  77   1.488  14.068   2.274
  399    HA   GLU  77           HA       GLU  77  -0.018  11.702   2.104
  400    HB2  GLU  77           2HB      GLU  77  -2.023  13.123   2.273
  401    HB3  GLU  77           3HB      GLU  77  -0.779  13.470   3.466
  402    HG2  GLU  77           2HG      GLU  77  -0.046  15.436   2.141
  403    HG3  GLU  77           3HG      GLU  77  -1.331  15.101   0.975
  404    H    GLU  78           H        GLU  78   0.945  13.749  -0.473
  405    HA   GLU  78           HA       GLU  78  -0.826  13.298  -2.567
  406    HB2  GLU  78           2HB      GLU  78   2.223  13.019  -2.567
  407    HB3  GLU  78           3HB      GLU  78   1.228  13.242  -4.007
  408    HG2  GLU  78           2HG      GLU  78   0.566  15.478  -3.255
  409    HG3  GLU  78           3HG      GLU  78   1.421  15.262  -1.726
  410    H    ILE  79           H        ILE  79   1.710  10.996  -1.467
  411    HA   ILE  79           HA       ILE  79   1.003   8.960  -3.413
  412    HB   ILE  79           HB       ILE  79   2.820   8.864  -0.978
  413   HG12  ILE  79          2HG1      ILE  79   3.046  10.055  -3.621
  414   HG13  ILE  79          3HG1      ILE  79   3.868  10.451  -2.208
  415   HG21  ILE  79          1HG2      ILE  79   2.245   6.566  -1.732
  416   HG22  ILE  79          2HG2      ILE  79   2.815   6.977  -3.367
  417   HG23  ILE  79          3HG2      ILE  79   3.941   6.953  -1.989
  418   HD11  ILE  79          3HD1      ILE  79   5.467   8.504  -2.723
  419   HD12  ILE  79          1HD1      ILE  79   4.596   8.318  -4.264
  420   HD13  ILE  79          2HD1      ILE  79   5.451   9.827  -3.897
  421    H    LEU  80           H        LEU  80   0.234   9.560  -0.067
  422    HA   LEU  80           HA       LEU  80  -1.016   7.109   0.594
  423    HG   LEU  80           HG       LEU  80  -3.221   9.879   1.751
  424    HB2  LEU  80           2HB      LEU  80  -0.689   8.307   2.448
  425    HB3  LEU  80           3HB      LEU  80  -0.746   9.827   1.660
  426   HD11  LEU  80          1HD1      LEU  80  -3.038   7.645   3.755
  427   HD12  LEU  80          2HD1      LEU  80  -4.481   8.435   3.086
  428   HD13  LEU  80          3HD1      LEU  80  -3.527   7.348   2.067
  429   HD21  LEU  80          3HD2      LEU  80  -1.884   9.468   4.426
  430   HD22  LEU  80          1HD2      LEU  80  -1.871  10.981   3.490
  431   HD23  LEU  80          2HD2      LEU  80  -3.402  10.333   4.123
  432    H    VAL  81           H        VAL  81  -2.338  10.190  -0.691
  433    HA   VAL  81           HA       VAL  81  -5.104   9.276  -0.824
  434    HB   VAL  81           HB       VAL  81  -3.641  11.668  -2.069
  435   HG11  VAL  81          1HG1      VAL  81  -5.682  11.313  -3.380
  436   HG12  VAL  81          2HG1      VAL  81  -6.649  11.177  -1.889
  437   HG13  VAL  81          3HG1      VAL  81  -5.894  12.722  -2.348
  438   HG21  VAL  81          3HG2      VAL  81  -4.674  13.020  -0.340
  439   HG22  VAL  81          1HG2      VAL  81  -5.531  11.595   0.309
  440   HG23  VAL  81          2HG2      VAL  81  -3.767  11.717   0.414
  441    H    GLU  82           H        GLU  82  -2.437   9.499  -3.110
  442    HA   GLU  82           HA       GLU  82  -3.656   8.697  -5.466
  443    HB2  GLU  82           2HB      GLU  82  -1.060   8.653  -4.034
  444    HB3  GLU  82           3HB      GLU  82  -1.221   7.342  -5.044
  445    HG2  GLU  82           2HG      GLU  82  -1.502  10.268  -5.766
  446    HG3  GLU  82           3HG      GLU  82  -0.050   9.301  -6.043
  447    H    ALA  83           H        ALA  83  -1.997   6.473  -3.129
  448    HA   ALA  83           HA       ALA  83  -3.089   4.061  -4.101
  449    HB1  ALA  83           1HB      ALA  83  -1.264   4.402  -2.357
  450    HB2  ALA  83           2HB      ALA  83  -2.546   4.610  -1.167
  451    HB3  ALA  83           3HB      ALA  83  -2.403   3.073  -2.059
  452    H    LEU  84           H        LEU  84  -4.622   6.198  -1.729
  453    HA   LEU  84           HA       LEU  84  -6.848   4.423  -1.046
  454    HG   LEU  84           HG       LEU  84  -5.379   7.341   0.714
  455    HB2  LEU  84           2HB      LEU  84  -6.819   7.475  -0.970
  456    HB3  LEU  84           3HB      LEU  84  -8.003   6.464  -0.270
  457   HD11  LEU  84          1HD1      LEU  84  -6.563   7.293   2.821
  458   HD12  LEU  84          2HD1      LEU  84  -7.531   8.093   1.584
  459   HD13  LEU  84          3HD1      LEU  84  -7.926   6.427   2.076
  460   HD21  LEU  84          3HD2      LEU  84  -5.215   5.390   2.279
  461   HD22  LEU  84          1HD2      LEU  84  -6.376   4.533   1.174
  462   HD23  LEU  84          2HD2      LEU  84  -4.782   5.034   0.596
  463    H    GLU  85           H        GLU  85  -6.310   6.699  -3.673
  464    HA   GLU  85           HA       GLU  85  -8.992   6.028  -4.653
  465    HB2  GLU  85           2HB      GLU  85  -6.982   8.157  -5.500
  466    HB3  GLU  85           3HB      GLU  85  -8.525   7.894  -6.317
  467    HG2  GLU  85           2HG      GLU  85  -9.690   8.232  -4.085
  468    HG3  GLU  85           3HG      GLU  85  -8.152   8.782  -3.430
  469    H    ARG  86           H        ARG  86  -5.882   4.748  -5.095
  470    HA   ARG  86           HA       ARG  86  -6.280   4.071  -7.978
  471    HE   ARG  86           HE       ARG  86  -3.138   7.863  -8.832
  472    HB2  ARG  86           2HB      ARG  86  -3.981   4.835  -6.220
  473    HB3  ARG  86           3HB      ARG  86  -3.641   3.546  -7.137
  474    HG2  ARG  86           2HG      ARG  86  -2.950   5.476  -8.313
  475    HG3  ARG  86           3HG      ARG  86  -4.320   4.850  -9.243
  476    HD2  ARG  86           2HD      ARG  86  -5.794   6.563  -8.306
  477    HD3  ARG  86           3HD      ARG  86  -4.554   7.021  -7.121
  478   HH11  ARG  86          2HH2      ARG  86  -6.493   7.669  -9.875
  479   HH12  ARG  86          1HH2      ARG  86  -6.389   9.196 -10.709
  480   HH21  ARG  86          1HH1      ARG  86  -3.151   9.785  -9.658
  481   HH22  ARG  86          2HH1      ARG  86  -4.460  10.354 -10.692
  482    H    LEU  87           H        LEU  87  -5.704   2.694  -4.779
  483    HA   LEU  87           HA       LEU  87  -5.657  -0.035  -5.874
  484    HG   LEU  87           HG       LEU  87  -3.316  -0.494  -5.660
  485    HB2  LEU  87           2HB      LEU  87  -4.243   1.366  -3.573
  486    HB3  LEU  87           3HB      LEU  87  -4.502  -0.332  -3.561
  487   HD11  LEU  87          1HD1      LEU  87  -1.740   1.279  -6.347
  488   HD12  LEU  87          2HD1      LEU  87  -3.434   1.361  -6.814
  489   HD13  LEU  87          3HD1      LEU  87  -2.808   2.392  -5.462
  490   HD21  LEU  87          3HD2      LEU  87  -1.026  -0.094  -4.689
  491   HD22  LEU  87          1HD2      LEU  87  -1.784   0.882  -3.421
  492   HD23  LEU  87          2HD2      LEU  87  -2.124  -0.862  -3.540
  493    H    ASN  88           H        ASN  88  -7.890   1.987  -4.302
  494    HA   ASN  88           HA       ASN  88  -8.561   0.128  -2.226
  495    HB2  ASN  88           2HB      ASN  88  -9.011   2.526  -1.990
  496    HB3  ASN  88           3HB      ASN  88 -10.314   2.387  -3.186
  497   HD21  ASN  88          1HD2      ASN  88 -12.046   2.743  -1.727
  498   HD22  ASN  88          2HD2      ASN  88 -12.398   1.661  -0.381
  499    H    ASN  89           H        ASN  89  -9.142  -1.828  -2.718
  500    HA   ASN  89           HA       ASN  89 -10.199  -3.631  -3.356
  501    HB2  ASN  89           2HB      ASN  89 -12.158  -2.347  -2.356
  502    HB3  ASN  89           3HB      ASN  89 -12.727  -2.153  -4.013
  503   HD21  ASN  89          1HD2      ASN  89 -11.729  -4.556  -1.528
  504   HD22  ASN  89          2HD2      ASN  89 -12.692  -5.861  -2.207
  505    H    ILE  90           H        ILE  90  -8.418  -3.123  -4.915
  506    HA   ILE  90           HA       ILE  90  -9.369  -3.328  -7.754
  507    HB   ILE  90           HB       ILE  90  -7.139  -2.677  -8.477
  508   HG12  ILE  90          2HG1      ILE  90  -6.175  -2.141  -5.694
  509   HG13  ILE  90          3HG1      ILE  90  -5.915  -3.697  -6.426
  510   HG21  ILE  90          1HG2      ILE  90  -8.887  -0.998  -8.009
  511   HG22  ILE  90          2HG2      ILE  90  -8.137  -0.688  -6.435
  512   HG23  ILE  90          3HG2      ILE  90  -7.239  -0.384  -7.943
  513   HD11  ILE  90          3HD1      ILE  90  -4.025  -2.248  -6.753
  514   HD12  ILE  90          1HD1      ILE  90  -4.711  -2.841  -8.271
  515   HD13  ILE  90          2HD1      ILE  90  -4.997  -1.151  -7.757
  516    H    GLU  91           H        GLU  91  -8.443  -5.008  -9.038
  517    HA   GLU  91           HA       GLU  91  -7.601  -7.352  -7.468
  518    HB2  GLU  91           2HB      GLU  91  -9.412  -7.462  -9.201
  519    HB3  GLU  91           3HB      GLU  91  -8.101  -7.238 -10.359
  520    HG2  GLU  91           2HG      GLU  91  -6.987  -9.280  -9.338
  521    HG3  GLU  91           3HG      GLU  91  -8.477  -9.547  -8.445
  522    H    PHE  92           H        PHE  92  -5.693  -7.380  -6.913
  523    HA   PHE  92           HA       PHE  92  -3.306  -6.338  -8.177
  524    HD1  PHE  92           HD1      PHE  92  -1.026  -7.714  -7.771
  525    HD2  PHE  92           HD2      PHE  92  -2.459  -7.248  -3.709
  526    HE1  PHE  92           HE1      PHE  92   1.266  -7.966  -6.929
  527    HE2  PHE  92           HE2      PHE  92  -0.124  -7.465  -2.901
  528    HZ   PHE  92           HZ       PHE  92   1.714  -7.786  -4.512
  529    HB2  PHE  92           2HB      PHE  92  -3.824  -6.450  -5.741
  530    HB3  PHE  92           3HB      PHE  92  -3.937  -8.090  -5.783
  531    H    ARG  93           H        ARG  93  -3.506  -7.500 -10.234
  532    HA   ARG  93           HA       ARG  93  -2.940  -9.078 -11.761
  533    HE   ARG  93           HE       ARG  93   1.680  -7.024 -11.870
  534    HB2  ARG  93           2HB      ARG  93  -0.998  -9.922  -9.583
  535    HB3  ARG  93           3HB      ARG  93  -0.906 -10.444 -11.259
  536    HG2  ARG  93           2HG      ARG  93  -0.523  -8.154 -12.025
  537    HG3  ARG  93           3HG      ARG  93  -0.646  -7.544 -10.359
  538    HD2  ARG  93           2HD      ARG  93   1.242  -8.893  -9.660
  539    HD3  ARG  93           3HD      ARG  93   1.329  -9.692 -11.233
  540   HH11  ARG  93          2HH2      ARG  93   3.376  -9.234  -9.678
  541   HH12  ARG  93          1HH2      ARG  93   4.889  -8.355  -9.912
  542   HH21  ARG  93          2HH1      ARG  93   3.809  -6.104 -12.136
  543   HH22  ARG  93          1HH1      ARG  93   5.090  -6.776 -11.119
  544    H    GLY  94           H        GLY  94  -4.634 -10.173  -9.187
  545    HA2  GLY  94           2HA      GLY  94  -5.870 -12.458 -10.002
  546    HA3  GLY  94           3HA      GLY  94  -4.294 -13.055  -9.475
  547    H    SER  95           H        SER  95  -4.367 -10.682  -7.274
  548    HA   SER  95           HA       SER  95  -6.222 -12.004  -5.360
  549    HG   SER  95           HG       SER  95  -3.060 -12.153  -3.757
  550    HB2  SER  95           2HB      SER  95  -3.741 -10.268  -4.911
  551    HB3  SER  95           3HB      SER  95  -4.842 -10.854  -3.654
  552    H    VAL  96           H        VAL  96  -6.694  -9.887  -3.790
  553    HA   VAL  96           HA       VAL  96  -6.924  -7.436  -5.353
  554    HB   VAL  96           HB       VAL  96  -8.992  -7.533  -5.980
  555   HG11  VAL  96          1HG1      VAL  96  -9.537  -9.870  -4.206
  556   HG12  VAL  96          2HG1      VAL  96 -10.650  -9.173  -5.428
  557   HG13  VAL  96          3HG1      VAL  96  -9.108  -9.843  -5.956
  558   HG21  VAL  96          3HG2      VAL  96 -10.842  -7.031  -4.576
  559   HG22  VAL  96          1HG2      VAL  96  -9.907  -7.416  -3.115
  560   HG23  VAL  96          2HG2      VAL  96  -9.461  -6.033  -4.150
  561    H    ILE  97           H        ILE  97  -7.087  -5.582  -3.981
  562    HA   ILE  97           HA       ILE  97  -6.863  -5.974  -1.030
  563    HB   ILE  97           HB       ILE  97  -5.188  -3.986  -1.179
  564   HG12  ILE  97          2HG1      ILE  97  -4.616  -5.269  -3.858
  565   HG13  ILE  97          3HG1      ILE  97  -5.452  -3.722  -3.677
  566   HG21  ILE  97          1HG2      ILE  97  -4.689  -6.239  -0.275
  567   HG22  ILE  97          2HG2      ILE  97  -4.212  -6.771  -1.903
  568   HG23  ILE  97          3HG2      ILE  97  -3.307  -5.484  -1.059
  569   HD11  ILE  97          3HD1      ILE  97  -3.445  -2.802  -2.499
  570   HD12  ILE  97          1HD1      ILE  97  -2.572  -4.303  -2.905
  571   HD13  ILE  97          2HD1      ILE  97  -3.169  -3.240  -4.196
  572    H    THR  98           H        THR  98  -7.832  -4.537   0.146
  573    HA   THR  98           HA       THR  98  -9.282  -2.113  -0.898
  574    HB   THR  98           HB       THR  98  -9.466  -3.634   1.707
  575    HG1  THR  98           1HG      THR  98 -11.378  -4.498   0.877
  576   HG21  THR  98          1HG2      THR  98 -10.252  -1.262   1.830
  577   HG22  THR  98          2HG2      THR  98 -11.425  -1.636   0.542
  578   HG23  THR  98          3HG2      THR  98 -11.528  -2.458   2.116
  579    H    VAL  99           H        VAL  99  -8.608  -0.137  -0.002
  580    HA   VAL  99           HA       VAL  99  -6.332  -0.265   1.912
  581    HB   VAL  99           HB       VAL  99  -4.859   1.032   0.653
  582   HG11  VAL  99          1HG1      VAL  99  -4.286  -0.408  -1.145
  583   HG12  VAL  99          2HG1      VAL  99  -5.076  -1.433   0.056
  584   HG13  VAL  99          3HG1      VAL  99  -5.966  -0.945  -1.371
  585   HG21  VAL  99          3HG2      VAL  99  -5.431   1.661  -1.713
  586   HG22  VAL  99          1HG2      VAL  99  -7.124   1.315  -1.274
  587   HG23  VAL  99          2HG2      VAL  99  -6.217   2.584  -0.432
  588    H    GLU 100           H        GLU 100  -5.981   1.417   3.133
  589    HA   GLU 100           HA       GLU 100  -7.497   3.944   2.916
  590    HB2  GLU 100           2HB      GLU 100  -8.730   3.575   5.042
  591    HB3  GLU 100           3HB      GLU 100  -9.310   2.494   3.798
  592    HG2  GLU 100           2HG      GLU 100  -7.305   1.644   5.941
  593    HG3  GLU 100           3HG      GLU 100  -9.034   1.634   6.207
  594    H    ARG 101           H        ARG 101  -7.037   5.465   4.489
  595    HA   ARG 101           HA       ARG 101  -4.390   5.300   5.562
  596    HE   ARG 101           HE       ARG 101  -8.289   5.333   7.104
  597    HB2  ARG 101           2HB      ARG 101  -4.606   7.446   6.273
  598    HB3  ARG 101           3HB      ARG 101  -5.530   7.374   4.815
  599    HG2  ARG 101           2HG      ARG 101  -6.464   7.786   7.632
  600    HG3  ARG 101           3HG      ARG 101  -6.634   8.829   6.229
  601    HD2  ARG 101           2HD      ARG 101  -8.770   8.167   6.385
  602    HD3  ARG 101           3HD      ARG 101  -8.205   6.894   5.320
  603   HH11  ARG 101          1HH1      ARG 101  -8.984   8.463   8.463
  604   HH12  ARG 101          2HH1      ARG 101  -8.560   7.924  10.036
  605   HH21  ARG 101          1HH2      ARG 101  -8.079   4.678   9.135
  606   HH22  ARG 101          2HH2      ARG 101  -8.527   5.728  10.462
  607    H    ASP 102           H        ASP 102  -3.572   5.063   7.537
  608    HA   ASP 102           HA       ASP 102  -5.335   3.718   9.552
  609    HB2  ASP 102           2HB      ASP 102  -4.049   2.266   7.882
  610    HB3  ASP 102           3HB      ASP 102  -2.582   2.810   8.684
  611    H    ASP 103           H        ASP 103  -2.840   6.035   9.052
  612    HA   ASP 103           HA       ASP 103  -2.987   6.634  11.941
  613    HB2  ASP 103           2HB      ASP 103  -0.645   5.662  10.729
  614    HB3  ASP 103           3HB      ASP 103  -0.350   7.378  10.884
  615    H    ASN 104           H        ASN 104  -4.561   7.542   9.865
  616    HA   ASN 104           HA       ASN 104  -4.420  10.417  10.364
  617    HB2  ASN 104           2HB      ASN 104  -3.231   9.949   8.134
  618    HB3  ASN 104           3HB      ASN 104  -4.781   9.456   7.500
  619   HD21  ASN 104          2HD2      ASN 104  -6.551  11.300   8.050
  620   HD22  ASN 104          1HD2      ASN 104  -6.031  12.877   7.435
  Start of MODEL    3
    1    HA   PRO  25           HA       PRO  25   9.386  15.580   7.239
    2    HB2  PRO  25           2HB      PRO  25   9.541  14.912   4.278
    3    HB3  PRO  25           3HB      PRO  25  10.776  15.687   5.318
    4    HG2  PRO  25           2HG      PRO  25  10.766  12.990   4.896
    5    HG3  PRO  25           3HG      PRO  25  11.176  13.665   6.499
    6    HD2  PRO  25           2HD      PRO  25   8.726  12.202   5.674
    7    HD3  PRO  25           3HD      PRO  25   9.402  12.441   7.299
    8    H    ALA  26           H        ALA  26   8.289  16.341   3.983
    9    HA   ALA  26           HA       ALA  26   6.887  18.722   4.624
   10    HB1  ALA  26           1HB      ALA  26   7.797  18.099   2.408
   11    HB2  ALA  26           2HB      ALA  26   6.602  16.790   2.273
   12    HB3  ALA  26           3HB      ALA  26   6.059  18.482   2.299
   13    H    LYS  27           H        LYS  27   5.764  15.419   4.133
   14    HA   LYS  27           HA       LYS  27   3.474  15.801   6.007
   15    HB2  LYS  27           2HB      LYS  27   3.165  15.186   3.251
   16    HB3  LYS  27           3HB      LYS  27   3.107  13.646   4.001
   17    HG2  LYS  27           2HG      LYS  27   1.372  16.007   4.865
   18    HG3  LYS  27           3HG      LYS  27   0.906  14.773   3.706
   19    HD2  LYS  27           2HD      LYS  27   1.438  13.040   5.555
   20    HD3  LYS  27           3HD      LYS  27   1.429  14.417   6.669
   21    HE2  LYS  27           2HE      LYS  27  -0.858  13.414   4.954
   22    HE3  LYS  27           3HE      LYS  27  -0.673  13.242   6.701
   23    HZ1  LYS  27           3HZ      LYS  27  -0.666  15.776   6.734
   24    HZ2  LYS  27           1HZ      LYS  27  -1.226  15.713   5.173
   25    HZ3  LYS  27           2HZ      LYS  27  -2.092  15.067   6.405
   26    H    ARG  28           H        ARG  28   3.278  14.065   7.430
   27    HA   ARG  28           HA       ARG  28   4.733  11.594   6.770
   28    HE   ARG  28           HE       ARG  28   6.270   8.905   9.045
   29    HB2  ARG  28           2HB      ARG  28   4.796  13.423   9.112
   30    HB3  ARG  28           3HB      ARG  28   4.178  11.895   9.619
   31    HG2  ARG  28           2HG      ARG  28   6.503  11.399   7.909
   32    HG3  ARG  28           3HG      ARG  28   6.836  12.717   9.036
   33    HD2  ARG  28           2HD      ARG  28   7.498  10.670  10.068
   34    HD3  ARG  28           3HD      ARG  28   6.050  11.253  10.911
   35   HH11  ARG  28          2HH2      ARG  28   4.026  10.600  11.270
   36   HH12  ARG  28          1HH2      ARG  28   2.834   9.327  10.981
   37   HH21  ARG  28          2HH1      ARG  28   4.670   7.362   9.037
   38   HH22  ARG  28          1HH1      ARG  28   3.145   7.732   9.883
   39    H    TYR  29           H        TYR  29   3.567   9.940   6.486
   40    HA   TYR  29           HA       TYR  29   1.067   9.464   7.938
   41    HD1  TYR  29           HD1      TYR  29   0.298   7.081   4.925
   42    HD2  TYR  29           HD2      TYR  29   2.094  10.854   3.742
   43    HE1  TYR  29           HE1      TYR  29   1.210   6.002   2.888
   44    HE2  TYR  29           HE2      TYR  29   2.779   9.840   1.675
   45    HH   TYR  29           HH       TYR  29   2.832   7.841   0.362
   46    HB2  TYR  29           2HB      TYR  29  -0.280   9.132   6.000
   47    HB3  TYR  29           3HB      TYR  29   0.501  10.679   5.702
   48    H    ARG  30           H        ARG  30   0.395   7.297   7.755
   49    HA   ARG  30           HA       ARG  30   2.124   5.390   6.309
   50    HE   ARG  30           HE       ARG  30   0.921   2.673   9.762
   51    HB2  ARG  30           2HB      ARG  30   2.693   5.869   8.856
   52    HB3  ARG  30           3HB      ARG  30   1.318   4.880   9.161
   53    HG2  ARG  30           2HG      ARG  30   3.708   4.019   7.472
   54    HG3  ARG  30           3HG      ARG  30   3.722   3.886   9.213
   55    HD2  ARG  30           2HD      ARG  30   1.700   2.506   7.434
   56    HD3  ARG  30           3HD      ARG  30   3.193   1.771   8.002
   57   HH11  ARG  30          2HH2      ARG  30   3.891   0.800   9.622
   58   HH12  ARG  30          1HH2      ARG  30   3.452  -0.117  11.029
   59   HH21  ARG  30          2HH1      ARG  30   0.348   1.366  11.384
   60   HH22  ARG  30          1HH1      ARG  30   1.489   0.199  12.019
   61    H    ILE  31           H        ILE  31   0.932   3.783   5.393
   62    HA   ILE  31           HA       ILE  31  -2.012   3.606   5.976
   63    HB   ILE  31           HB       ILE  31  -2.387   2.817   3.697
   64   HG12  ILE  31          2HG1      ILE  31   0.526   3.403   3.125
   65   HG13  ILE  31          3HG1      ILE  31  -0.193   1.785   3.280
   66   HG21  ILE  31          1HG2      ILE  31  -0.888   5.440   3.626
   67   HG22  ILE  31          2HG2      ILE  31  -2.143   4.878   2.508
   68   HG23  ILE  31          3HG2      ILE  31  -2.560   5.222   4.177
   69   HD11  ILE  31          3HD1      ILE  31  -1.721   2.343   1.359
   70   HD12  ILE  31          1HD1      ILE  31  -0.746   3.817   1.102
   71   HD13  ILE  31          2HD1      ILE  31   0.003   2.226   0.951
   72    H    THR  32           H        THR  32  -2.978   1.606   5.595
   73    HA   THR  32           HA       THR  32  -1.290  -0.824   6.151
   74    HB   THR  32           HB       THR  32  -4.218  -0.116   6.676
   75    HG1  THR  32           1HG      THR  32  -2.673   0.629   8.186
   76   HG21  THR  32          1HG2      THR  32  -2.774  -2.770   7.158
   77   HG22  THR  32          2HG2      THR  32  -4.348  -2.336   7.868
   78   HG23  THR  32          3HG2      THR  32  -4.185  -2.476   6.110
   79    H    MET  33           H        MET  33  -1.417  -2.473   4.801
   80    HA   MET  33           HA       MET  33  -3.480  -2.542   2.740
   81    HB2  MET  33           2HB      MET  33  -0.613  -3.356   2.087
   82    HB3  MET  33           3HB      MET  33  -1.960  -3.084   1.006
   83    HG2  MET  33           2HG      MET  33  -1.814  -0.624   1.948
   84    HG3  MET  33           3HG      MET  33  -0.197  -1.129   2.403
   85    HE1  MET  33           3HE      MET  33   0.931  -2.047  -1.449
   86    HE2  MET  33           1HE      MET  33   1.227  -2.495   0.241
   87    HE3  MET  33           2HE      MET  33  -0.253  -3.042  -0.571
   88    H    LYS  34           H        LYS  34  -4.487  -4.441   2.668
   89    HA   LYS  34           HA       LYS  34  -3.137  -7.013   3.190
   90    HB2  LYS  34           2HB      LYS  34  -5.367  -7.307   4.911
   91    HB3  LYS  34           3HB      LYS  34  -3.809  -7.300   5.257
   92    HG2  LYS  34           2HG      LYS  34  -5.028  -5.846   6.757
   93    HG3  LYS  34           3HG      LYS  34  -4.240  -4.668   5.692
   94    HD2  LYS  34           2HD      LYS  34  -6.310  -4.738   4.219
   95    HD3  LYS  34           3HD      LYS  34  -7.044  -5.881   5.328
   96    HE2  LYS  34           2HE      LYS  34  -7.169  -4.290   7.106
   97    HE3  LYS  34           3HE      LYS  34  -6.184  -3.114   6.223
   98    HZ1  LYS  34           3HZ      LYS  34  -8.588  -2.641   6.079
   99    HZ2  LYS  34           1HZ      LYS  34  -7.896  -2.782   4.661
  100    HZ3  LYS  34           2HZ      LYS  34  -8.830  -4.041   5.236
  101    H    ASN  35           H        ASN  35  -4.507  -8.792   3.189
  102    HA   ASN  35           HA       ASN  35  -7.098  -8.535   3.353
  103    HB2  ASN  35           2HB      ASN  35  -7.624  -7.696   1.415
  104    HB3  ASN  35           3HB      ASN  35  -6.418  -8.429   0.474
  105   HD21  ASN  35          1HD2      ASN  35  -6.911 -10.385  -0.625
  106   HD22  ASN  35          2HD2      ASN  35  -8.567 -10.964  -0.744
  107    H    LEU  36           H        LEU  36  -8.379 -10.801   2.821
  108    HA   LEU  36           HA       LEU  36  -7.102 -12.354   4.848
  109    HG   LEU  36           HG       LEU  36 -10.761 -12.246   5.523
  110    HB2  LEU  36           2HB      LEU  36  -9.722 -12.648   3.349
  111    HB3  LEU  36           3HB      LEU  36  -9.209 -13.779   4.588
  112   HD11  LEU  36          1HD1      LEU  36  -8.887 -13.023   6.970
  113   HD12  LEU  36          2HD1      LEU  36  -8.029 -11.501   6.633
  114   HD13  LEU  36          3HD1      LEU  36  -9.588 -11.476   7.473
  115   HD21  LEU  36          3HD2      LEU  36 -10.346 -10.279   4.026
  116   HD22  LEU  36          1HD2      LEU  36 -10.503  -9.887   5.747
  117   HD23  LEU  36          2HD2      LEU  36  -8.900  -9.903   5.003
  118    HA   PRO  37           HA       PRO  37  -6.722 -16.153   2.046
  119    HB2  PRO  37           2HB      PRO  37  -6.644 -15.969  -0.691
  120    HB3  PRO  37           3HB      PRO  37  -8.143 -16.184   0.259
  121    HG2  PRO  37           2HG      PRO  37  -6.976 -13.615  -0.818
  122    HG3  PRO  37           3HG      PRO  37  -8.665 -14.189  -0.933
  123    HD2  PRO  37           2HD      PRO  37  -7.892 -12.417   0.963
  124    HD3  PRO  37           3HD      PRO  37  -9.086 -13.689   1.331
  125    H    GLU  38           H        GLU  38  -5.040 -13.198   1.342
  126    HA   GLU  38           HA       GLU  38  -2.408 -14.625   1.231
  127    HB2  GLU  38           2HB      GLU  38  -1.577 -13.052  -0.292
  128    HB3  GLU  38           3HB      GLU  38  -3.050 -13.730  -0.960
  129    HG2  GLU  38           2HG      GLU  38  -2.878 -10.991   0.360
  130    HG3  GLU  38           3HG      GLU  38  -2.730 -11.284  -1.353
  131    H    GLY  39           H        GLY  39  -1.143 -11.997   1.305
  132    HA2  GLY  39           2HA      GLY  39  -1.394 -10.684   3.656
  133    HA3  GLY  39           3HA      GLY  39  -0.528 -12.159   4.152
  134    H    CYS  40           H        CYS  40   0.643 -12.268   1.399
  135    HA   CYS  40           HA       CYS  40   2.316 -11.703   0.148
  136    HG   CYS  40           HG       CYS  40  -0.193  -8.658  -0.891
  137    HB2  CYS  40           2HB      CYS  40   1.647  -8.842   0.909
  138    HB3  CYS  40           3HB      CYS  40   2.377  -9.426  -0.594
  139    H    SER  41           H        SER  41   4.182  -9.413   0.382
  140    HA   SER  41           HA       SER  41   5.530  -9.389   2.939
  141    HG   SER  41           HG       SER  41   5.640 -11.904   2.527
  142    HB2  SER  41           2HB      SER  41   6.740 -10.915   0.611
  143    HB3  SER  41           3HB      SER  41   7.757 -10.150   1.847
  144    H    TRP  42           H        TRP  42   7.585  -7.898   2.718
  145    HA   TRP  42           HA       TRP  42   6.655  -5.603   1.451
  146    HD1  TRP  42           HD1      TRP  42  11.054  -4.039   2.359
  147    HE1  TRP  42           HE1      TRP  42  11.023  -1.769   1.169
  148    HE3  TRP  42           HE3      TRP  42   6.044  -3.758   1.126
  149    HZ2  TRP  42           HZ2      TRP  42   9.171  -0.232  -0.431
  150    HZ3  TRP  42           HZ3      TRP  42   5.249  -2.004  -0.368
  151    HH2  TRP  42           HH2      TRP  42   6.769  -0.302  -1.213
  152    HB2  TRP  42           2HB      TRP  42   8.204  -5.449   3.306
  153    HB3  TRP  42           3HB      TRP  42   9.486  -6.139   2.352
  154    H    GLN  43           H        GLN  43   9.376  -7.608   0.183
  155    HA   GLN  43           HA       GLN  43   9.728  -5.985  -2.059
  156    HB2  GLN  43           2HB      GLN  43  10.786  -8.003  -3.141
  157    HB3  GLN  43           3HB      GLN  43  11.413  -7.648  -1.539
  158    HG2  GLN  43           2HG      GLN  43  10.680  -9.614  -0.653
  159    HG3  GLN  43           3HG      GLN  43   9.121  -9.522  -1.448
  160   HE21  GLN  43          2HE2      GLN  43   8.774 -11.354  -2.621
  161   HE22  GLN  43          1HE2      GLN  43  10.006 -12.116  -3.640
  162    H    ASP  44           H        ASP  44   7.211  -8.158  -1.572
  163    HA   ASP  44           HA       ASP  44   6.442  -8.544  -4.371
  164    HB2  ASP  44           2HB      ASP  44   5.412  -9.292  -1.606
  165    HB3  ASP  44           3HB      ASP  44   4.477  -9.512  -3.028
  166    H    LEU  45           H        LEU  45   5.180  -6.886  -1.478
  167    HA   LEU  45           HA       LEU  45   3.048  -5.475  -2.745
  168    HG   LEU  45           HG       LEU  45   3.155  -6.936  -0.089
  169    HB2  LEU  45           2HB      LEU  45   4.788  -5.145  -0.266
  170    HB3  LEU  45           3HB      LEU  45   3.572  -3.969  -0.605
  171   HD11  LEU  45          1HD1      LEU  45   2.353  -4.347   1.342
  172   HD12  LEU  45          2HD1      LEU  45   2.078  -6.017   1.942
  173   HD13  LEU  45          3HD1      LEU  45   3.728  -5.363   1.767
  174   HD21  LEU  45          3HD2      LEU  45   0.718  -6.479  -0.045
  175   HD22  LEU  45          1HD2      LEU  45   1.013  -4.834  -0.634
  176   HD23  LEU  45          2HD2      LEU  45   1.368  -6.211  -1.672
  177    H    LYS  46           H        LYS  46   6.431  -4.547  -2.133
  178    HA   LYS  46           HA       LYS  46   6.517  -1.908  -3.352
  179    HB2  LYS  46           2HB      LYS  46   8.343  -3.034  -2.043
  180    HB3  LYS  46           3HB      LYS  46   8.524  -4.183  -3.340
  181    HG2  LYS  46           2HG      LYS  46   8.723  -1.634  -4.607
  182    HG3  LYS  46           3HG      LYS  46   9.557  -1.460  -3.067
  183    HD2  LYS  46           2HD      LYS  46  11.224  -2.199  -4.537
  184    HD3  LYS  46           3HD      LYS  46  10.756  -3.628  -3.613
  185    HE2  LYS  46           2HE      LYS  46   9.123  -3.284  -6.067
  186    HE3  LYS  46           3HE      LYS  46  10.828  -3.224  -6.471
  187    HZ1  LYS  46           3HZ      LYS  46  11.116  -5.412  -5.491
  188    HZ2  LYS  46           1HZ      LYS  46   9.534  -5.504  -5.051
  189    HZ3  LYS  46           2HZ      LYS  46   9.945  -5.460  -6.635
  190    H    ASP  47           H        ASP  47   7.117  -5.087  -4.872
  191    HA   ASP  47           HA       ASP  47   7.382  -3.980  -7.464
  192    HB2  ASP  47           2HB      ASP  47   7.416  -6.566  -6.265
  193    HB3  ASP  47           3HB      ASP  47   6.041  -6.676  -7.283
  194    H    LEU  48           H        LEU  48   4.420  -5.315  -6.013
  195    HA   LEU  48           HA       LEU  48   2.791  -4.726  -8.247
  196    HG   LEU  48           HG       LEU  48  -0.048  -5.477  -6.191
  197    HB2  LEU  48           2HB      LEU  48   2.164  -6.083  -6.241
  198    HB3  LEU  48           3HB      LEU  48   1.960  -4.614  -5.308
  199   HD11  LEU  48          1HD1      LEU  48  -0.505  -3.587  -5.533
  200   HD12  LEU  48          2HD1      LEU  48   0.102  -2.790  -6.985
  201   HD13  LEU  48          3HD1      LEU  48  -1.313  -3.875  -7.103
  202   HD21  LEU  48          3HD2      LEU  48   0.822  -6.453  -8.293
  203   HD22  LEU  48          1HD2      LEU  48  -0.756  -5.662  -8.464
  204   HD23  LEU  48          2HD2      LEU  48   0.720  -4.845  -9.009
  205    H    ALA  49           H        ALA  49   3.477  -2.788  -5.339
  206    HA   ALA  49           HA       ALA  49   1.823  -0.630  -5.948
  207    HB1  ALA  49           1HB      ALA  49   3.165   0.420  -4.200
  208    HB2  ALA  49           2HB      ALA  49   2.794  -1.214  -3.822
  209    HB3  ALA  49           3HB      ALA  49   4.435  -0.806  -4.405
  210    H    ARG  50           H        ARG  50   5.192  -1.317  -6.926
  211    HA   ARG  50           HA       ARG  50   5.629   0.993  -8.584
  212    HE   ARG  50           HE       ARG  50   9.511   0.973  -5.703
  213    HB2  ARG  50           2HB      ARG  50   6.951  -1.626  -9.181
  214    HB3  ARG  50           3HB      ARG  50   7.516   0.012  -9.447
  215    HG2  ARG  50           2HG      ARG  50   7.634  -1.680  -7.029
  216    HG3  ARG  50           3HG      ARG  50   8.840  -0.736  -7.678
  217    HD2  ARG  50           2HD      ARG  50   6.675   0.922  -6.590
  218    HD3  ARG  50           3HD      ARG  50   7.432  -0.118  -5.426
  219   HH11  ARG  50          1HH1      ARG  50   7.134   2.721  -7.658
  220   HH12  ARG  50          2HH1      ARG  50   8.403   3.786  -8.253
  221   HH21  ARG  50          1HH2      ARG  50  10.940   2.529  -6.504
  222   HH22  ARG  50          2HH2      ARG  50  10.286   3.759  -7.584
  223    H    GLU  51           H        GLU  51   3.881  -2.096  -9.209
  224    HA   GLU  51           HA       GLU  51   3.603  -1.548 -12.106
  225    HB2  GLU  51           2HB      GLU  51   1.928  -3.265 -10.216
  226    HB3  GLU  51           3HB      GLU  51   1.710  -3.188 -11.870
  227    HG2  GLU  51           2HG      GLU  51   4.537  -3.810 -11.364
  228    HG3  GLU  51           3HG      GLU  51   3.578  -4.724 -10.234
  229    H    ASN  52           H        ASN  52   2.027  -0.552  -9.197
  230    HA   ASN  52           HA       ASN  52  -0.466   0.267 -10.557
  231    HB2  ASN  52           2HB      ASN  52   0.418  -0.848  -7.938
  232    HB3  ASN  52           3HB      ASN  52  -0.898   0.116  -7.815
  233   HD21  ASN  52          2HD2      ASN  52   0.278  -2.715  -9.355
  234   HD22  ASN  52          1HD2      ASN  52  -1.310  -3.447  -9.410
  235    H    SER  53           H        SER  53   2.205   1.903  -9.350
  236    HA   SER  53           HA       SER  53   2.457   4.100 -10.265
  237    HG   SER  53           HG       SER  53  -0.657   3.901 -10.849
  238    HB2  SER  53           2HB      SER  53  -0.162   4.879  -8.946
  239    HB3  SER  53           3HB      SER  53   0.968   5.933  -9.796
  240    H    LEU  54           H        LEU  54   2.386   2.655  -7.337
  241    HA   LEU  54           HA       LEU  54   2.963   4.921  -5.570
  242    HG   LEU  54           HG       LEU  54   1.228   1.752  -4.846
  243    HB2  LEU  54           2HB      LEU  54   3.380   1.998  -5.443
  244    HB3  LEU  54           3HB      LEU  54   3.757   2.867  -4.081
  245   HD11  LEU  54          1HD1      LEU  54   0.658   1.986  -2.530
  246   HD12  LEU  54          2HD1      LEU  54   2.394   1.684  -2.535
  247   HD13  LEU  54          3HD1      LEU  54   1.792   3.321  -2.293
  248   HD21  LEU  54          3HD2      LEU  54  -0.333   3.497  -4.284
  249   HD22  LEU  54          1HD2      LEU  54   0.971   4.699  -4.138
  250   HD23  LEU  54          2HD2      LEU  54   0.549   3.965  -5.705
  251    H    GLU  55           H        GLU  55   4.813   5.433  -4.811
  252    HA   GLU  55           HA       GLU  55   7.385   4.246  -5.469
  253    HB2  GLU  55           2HB      GLU  55   6.956   5.819  -7.340
  254    HB3  GLU  55           3HB      GLU  55   6.871   7.166  -6.190
  255    HG2  GLU  55           2HG      GLU  55   9.109   7.132  -5.758
  256    HG3  GLU  55           3HG      GLU  55   9.263   5.400  -5.884
  257    H    THR  56           H        THR  56   5.967   4.166  -3.336
  258    HA   THR  56           HA       THR  56   6.313   5.991  -1.194
  259    HB   THR  56           HB       THR  56   5.834   3.938   0.150
  260    HG1  THR  56           1HG      THR  56   6.847   2.471  -1.407
  261   HG21  THR  56          1HG2      THR  56   3.948   4.400  -2.140
  262   HG22  THR  56          2HG2      THR  56   3.616   3.353  -0.747
  263   HG23  THR  56          3HG2      THR  56   3.894   5.069  -0.476
  264    H    THR  57           H        THR  57   7.684   5.633   0.762
  265    HA   THR  57           HA       THR  57  10.484   5.200   0.018
  266    HB   THR  57           HB       THR  57   9.325   5.586   2.808
  267    HG1  THR  57           1HG      THR  57  10.173   7.590   0.974
  268   HG21  THR  57          1HG2      THR  57  12.047   6.256   1.618
  269   HG22  THR  57          2HG2      THR  57  11.473   6.778   3.223
  270   HG23  THR  57          3HG2      THR  57  11.678   5.055   2.883
  271    H    PHE  58           H        PHE  58   8.129   3.664   2.231
  272    HA   PHE  58           HA       PHE  58   9.710   1.186   2.405
  273    HD1  PHE  58           HD2      PHE  58   8.375   1.200   6.161
  274    HD2  PHE  58           HD1      PHE  58   9.810   5.056   4.873
  275    HE1  PHE  58           HE2      PHE  58   7.459   2.224   8.210
  276    HE2  PHE  58           HE1      PHE  58   9.027   6.046   6.995
  277    HZ   PHE  58           HZ       PHE  58   7.827   4.642   8.662
  278    HB2  PHE  58           2HB      PHE  58  10.383   1.494   4.596
  279    HB3  PHE  58           3HB      PHE  58  10.738   3.017   3.889
  280    H    SER  59           H        SER  59   8.737  -0.420   3.840
  281    HA   SER  59           HA       SER  59   6.042   0.169   4.845
  282    HG   SER  59           HG       SER  59   4.350  -1.580   4.647
  283    HB2  SER  59           2HB      SER  59   5.475  -0.849   2.765
  284    HB3  SER  59           3HB      SER  59   6.603  -2.132   3.011
  285    H    SER  60           H        SER  60   5.504  -0.919   6.610
  286    HA   SER  60           HA       SER  60   7.297  -2.834   8.008
  287    HG   SER  60           HG       SER  60   7.219  -1.023   9.737
  288    HB2  SER  60           2HB      SER  60   4.621  -1.544   8.682
  289    HB3  SER  60           3HB      SER  60   5.543  -2.601   9.780
  290    H    VAL  61           H        VAL  61   7.127  -4.808   6.897
  291    HA   VAL  61           HA       VAL  61   4.445  -6.130   6.909
  292    HB   VAL  61           HB       VAL  61   6.459  -7.019   4.867
  293   HG11  VAL  61          1HG1      VAL  61   4.318  -7.562   3.619
  294   HG12  VAL  61          2HG1      VAL  61   4.475  -8.401   5.157
  295   HG13  VAL  61          3HG1      VAL  61   3.416  -6.990   5.013
  296   HG21  VAL  61          3HG2      VAL  61   6.351  -4.666   4.265
  297   HG22  VAL  61          1HG2      VAL  61   5.432  -5.639   3.111
  298   HG23  VAL  61          2HG2      VAL  61   4.595  -4.701   4.328
  299    H    ASN  62           H        ASN  62   4.494  -8.386   7.412
  300    HA   ASN  62           HA       ASN  62   5.184 -10.246   8.433
  301    HB2  ASN  62           2HB      ASN  62   7.950  -9.580   7.341
  302    HB3  ASN  62           3HB      ASN  62   7.428 -11.147   7.946
  303   HD21  ASN  62          1HD2      ASN  62   8.104  -9.664   5.116
  304   HD22  ASN  62          2HD2      ASN  62   7.025 -10.664   4.129
  305    H    THR  63           H        THR  63   5.155  -7.724   9.933
  306    HA   THR  63           HA       THR  63   7.318  -7.702  11.889
  307    HB   THR  63           HB       THR  63   6.043  -6.115  13.106
  308    HG1  THR  63           1HG      THR  63   3.810  -6.829  11.487
  309   HG21  THR  63          1HG2      THR  63   5.419  -5.568  10.169
  310   HG22  THR  63          2HG2      THR  63   5.528  -4.386  11.492
  311   HG23  THR  63          3HG2      THR  63   6.981  -5.258  10.967
  312    H    ARG  64           H        ARG  64   4.097  -8.917  11.748
  313    HA   ARG  64           HA       ARG  64   4.424 -11.471  12.800
  314    HE   ARG  64           HE       ARG  64   1.220 -12.118  14.609
  315    HB2  ARG  64           2HB      ARG  64   4.297  -9.788  15.017
  316    HB3  ARG  64           3HB      ARG  64   2.601 -10.088  14.756
  317    HG2  ARG  64           2HG      ARG  64   4.798 -12.012  15.484
  318    HG3  ARG  64           3HG      ARG  64   3.296 -11.685  16.328
  319    HD2  ARG  64           2HD      ARG  64   3.706 -13.340  13.816
  320    HD3  ARG  64           3HD      ARG  64   3.245 -13.909  15.419
  321   HH11  ARG  64          2HH2      ARG  64   2.396 -15.277  13.514
  322   HH12  ARG  64          1HH2      ARG  64   0.935 -15.498  12.544
  323   HH21  ARG  64          2HH1      ARG  64  -0.481 -12.568  13.206
  324   HH22  ARG  64          1HH1      ARG  64  -0.555 -14.167  12.459
  325    H    ASP  65           H        ASP  65   2.255  -8.710  12.796
  326    HA   ASP  65           HA       ASP  65   0.368  -8.115  11.691
  327    HB2  ASP  65           2HB      ASP  65   1.098 -10.231   9.668
  328    HB3  ASP  65           3HB      ASP  65   0.199  -8.758   9.399
  329    H    PHE  66           H        PHE  66  -1.631  -9.449  10.214
  330    HA   PHE  66           HA       PHE  66  -2.901 -11.242  12.138
  331    HD1  PHE  66           HD2      PHE  66  -2.888 -10.039   7.875
  332    HD2  PHE  66           HD1      PHE  66  -5.423 -12.967   9.740
  333    HE1  PHE  66           HE2      PHE  66  -3.326 -11.041   5.661
  334    HE2  PHE  66           HE1      PHE  66  -5.815 -14.022   7.517
  335    HZ   PHE  66           HZ       PHE  66  -4.747 -13.060   5.469
  336    HB2  PHE  66           2HB      PHE  66  -4.747 -10.973  10.947
  337    HB3  PHE  66           3HB      PHE  66  -3.888  -9.665  10.165
  338    H    ASP  67           H        ASP  67  -0.478 -11.600  10.002
  339    HA   ASP  67           HA       ASP  67   0.755 -13.802  10.076
  340    HB2  ASP  67           2HB      ASP  67  -1.750 -14.584   8.560
  341    HB3  ASP  67           3HB      ASP  67  -0.198 -15.314   8.182
  342    H    GLY  68           H        GLY  68  -0.789 -11.554   7.934
  343    HA2  GLY  68           2HA      GLY  68   1.755 -10.580   7.062
  344    HA3  GLY  68           3HA      GLY  68   0.976 -11.415   5.738
  345    H    THR  69           H        THR  69   1.305  -8.434   7.215
  346    HA   THR  69           HA       THR  69  -0.714  -7.266   5.398
  347    HB   THR  69           HB       THR  69  -1.658  -5.708   6.883
  348    HG1  THR  69           1HG      THR  69   0.354  -5.840   8.359
  349   HG21  THR  69          1HG2      THR  69  -2.728  -7.966   6.968
  350   HG22  THR  69          2HG2      THR  69  -1.865  -8.242   8.496
  351   HG23  THR  69          3HG2      THR  69  -3.039  -6.916   8.358
  352    H    GLY  70           H        GLY  70   0.125  -5.469   4.432
  353    HA2  GLY  70           2HA      GLY  70   2.844  -4.625   5.381
  354    HA3  GLY  70           3HA      GLY  70   2.326  -4.576   3.706
  355    H    ALA  71           H        ALA  71   3.021  -2.684   6.215
  356    HA   ALA  71           HA       ALA  71   0.929  -0.665   5.550
  357    HB1  ALA  71           1HB      ALA  71   2.508  -1.053   8.124
  358    HB2  ALA  71           2HB      ALA  71   1.165   0.083   7.850
  359    HB3  ALA  71           3HB      ALA  71   0.863  -1.653   7.825
  360    H    LEU  72           H        LEU  72   1.581   0.961   4.357
  361    HA   LEU  72           HA       LEU  72   4.457   1.249   3.632
  362    HG   LEU  72           HG       LEU  72   2.750   0.970   0.381
  363    HB2  LEU  72           2HB      LEU  72   1.862   1.825   2.372
  364    HB3  LEU  72           3HB      LEU  72   3.163   2.802   1.894
  365   HD11  LEU  72          1HD1      LEU  72   4.930   0.486  -0.105
  366   HD12  LEU  72          2HD1      LEU  72   4.955   2.035   0.732
  367   HD13  LEU  72          3HD1      LEU  72   5.493   0.631   1.564
  368   HD21  LEU  72          3HD2      LEU  72   3.391  -0.896   2.642
  369   HD22  LEU  72          1HD2      LEU  72   1.910  -0.757   1.740
  370   HD23  LEU  72          2HD2      LEU  72   3.369  -1.357   0.932
  371    H    GLU  73           H        GLU  73   5.274   3.346   3.240
  372    HA   GLU  73           HA       GLU  73   3.961   5.774   4.496
  373    HB2  GLU  73           2HB      GLU  73   5.301   4.856   6.210
  374    HB3  GLU  73           3HB      GLU  73   6.709   4.782   5.166
  375    HG2  GLU  73           2HG      GLU  73   7.139   7.044   5.282
  376    HG3  GLU  73           3HG      GLU  73   5.464   7.491   5.479
  377    H    PHE  74           H        PHE  74   4.601   7.824   3.656
  378    HA   PHE  74           HA       PHE  74   6.978   8.061   2.006
  379    HD1  PHE  74           HD1      PHE  74   7.591   7.459  -0.208
  380    HD2  PHE  74           HD2      PHE  74   5.236  11.014  -0.561
  381    HE1  PHE  74           HE1      PHE  74   9.242   8.377  -1.807
  382    HE2  PHE  74           HE2      PHE  74   6.909  11.984  -2.108
  383    HZ   PHE  74           HZ       PHE  74   8.916  10.658  -2.752
  384    HB2  PHE  74           2HB      PHE  74   4.722   7.754   0.450
  385    HB3  PHE  74           3HB      PHE  74   4.558   9.401   0.862
  386    HA   PRO  75           HA       PRO  75   7.148  12.212   3.876
  387    HB2  PRO  75           2HB      PRO  75   8.373  12.789   1.154
  388    HB3  PRO  75           3HB      PRO  75   8.861  13.438   2.752
  389    HG2  PRO  75           2HG      PRO  75  10.204  11.351   1.735
  390    HG3  PRO  75           3HG      PRO  75   9.674  11.278   3.451
  391    HD2  PRO  75           2HD      PRO  75   8.419  10.016   1.029
  392    HD3  PRO  75           3HD      PRO  75   8.661   9.336   2.670
  393    H    SER  76           H        SER  76   5.050  11.609   1.190
  394    HA   SER  76           HA       SER  76   3.804  14.316   1.485
  395    HG   SER  76           HG       SER  76   5.225  15.090  -1.545
  396    HB2  SER  76           2HB      SER  76   4.313  12.874  -1.096
  397    HB3  SER  76           3HB      SER  76   3.340  14.315  -0.924
  398    H    GLU  77           H        GLU  77   1.635  14.156   1.776
  399    HA   GLU  77           HA       GLU  77   0.180  11.757   1.662
  400    HB2  GLU  77           2HB      GLU  77  -1.863  13.153   1.730
  401    HB3  GLU  77           3HB      GLU  77  -0.658  13.532   2.943
  402    HG2  GLU  77           2HG      GLU  77   0.114  15.466   1.475
  403    HG3  GLU  77           3HG      GLU  77  -1.203  15.082   0.372
  404    H    GLU  78           H        GLU  78   1.200  13.649  -0.995
  405    HA   GLU  78           HA       GLU  78  -0.575  13.076  -3.074
  406    HB2  GLU  78           2HB      GLU  78   2.476  12.823  -3.041
  407    HB3  GLU  78           3HB      GLU  78   1.487  12.961  -4.500
  408    HG2  GLU  78           2HG      GLU  78   0.844  15.238  -3.911
  409    HG3  GLU  78           3HG      GLU  78   1.628  15.112  -2.333
  410    H    ILE  79           H        ILE  79   2.002  10.925  -1.809
  411    HA   ILE  79           HA       ILE  79   1.325   8.704  -3.557
  412    HB   ILE  79           HB       ILE  79   3.158   8.864  -1.149
  413   HG12  ILE  79          2HG1      ILE  79   3.346   9.852  -3.887
  414   HG13  ILE  79          3HG1      ILE  79   4.193  10.334  -2.494
  415   HG21  ILE  79          1HG2      ILE  79   3.111   6.749  -3.347
  416   HG22  ILE  79          2HG2      ILE  79   4.253   6.832  -1.970
  417   HG23  ILE  79          3HG2      ILE  79   2.562   6.507  -1.682
  418   HD11  ILE  79          3HD1      ILE  79   5.765   8.342  -2.877
  419   HD12  ILE  79          1HD1      ILE  79   4.883   8.047  -4.395
  420   HD13  ILE  79          2HD1      ILE  79   5.759   9.570  -4.160
  421    H    LEU  80           H        LEU  80   0.487   9.638  -0.285
  422    HA   LEU  80           HA       LEU  80  -0.656   7.195   0.586
  423    HG   LEU  80           HG       LEU  80  -3.253   9.334   1.628
  424    HB2  LEU  80           2HB      LEU  80  -0.278   8.789   2.212
  425    HB3  LEU  80           3HB      LEU  80  -0.921  10.101   1.316
  426   HD11  LEU  80          1HD1      LEU  80  -3.763   7.733   3.352
  427   HD12  LEU  80          2HD1      LEU  80  -2.741   6.958   2.130
  428   HD13  LEU  80          3HD1      LEU  80  -2.037   7.490   3.687
  429   HD21  LEU  80          3HD2      LEU  80  -1.685   9.829   4.159
  430   HD22  LEU  80          1HD2      LEU  80  -2.326  11.071   3.050
  431   HD23  LEU  80          2HD2      LEU  80  -3.436  10.007   3.948
  432    H    VAL  81           H        VAL  81  -2.066  10.082  -1.006
  433    HA   VAL  81           HA       VAL  81  -4.798   9.075  -1.064
  434    HB   VAL  81           HB       VAL  81  -3.397  11.374  -2.538
  435   HG11  VAL  81          1HG1      VAL  81  -5.386  10.801  -3.845
  436   HG12  VAL  81          2HG1      VAL  81  -6.387  10.791  -2.378
  437   HG13  VAL  81          3HG1      VAL  81  -5.673  12.305  -2.980
  438   HG21  VAL  81          3HG2      VAL  81  -5.363  11.503  -0.219
  439   HG22  VAL  81          1HG2      VAL  81  -3.605  11.629  -0.047
  440   HG23  VAL  81          2HG2      VAL  81  -4.470  12.856  -0.970
  441    H    GLU  82           H        GLU  82  -2.110   9.150  -3.346
  442    HA   GLU  82           HA       GLU  82  -3.286   7.979  -5.566
  443    HB2  GLU  82           2HB      GLU  82  -0.693   8.216  -4.127
  444    HB3  GLU  82           3HB      GLU  82  -0.801   6.831  -5.038
  445    HG2  GLU  82           2HG      GLU  82  -1.039   9.711  -5.907
  446    HG3  GLU  82           3HG      GLU  82   0.319   8.632  -6.225
  447    H    ALA  83           H        ALA  83  -1.466   6.106  -3.021
  448    HA   ALA  83           HA       ALA  83  -2.446   3.556  -3.721
  449    HB1  ALA  83           1HB      ALA  83  -1.699   2.848  -1.553
  450    HB2  ALA  83           2HB      ALA  83  -0.600   4.127  -2.116
  451    HB3  ALA  83           3HB      ALA  83  -1.831   4.503  -0.898
  452    H    LEU  84           H        LEU  84  -4.086   5.817  -1.549
  453    HA   LEU  84           HA       LEU  84  -6.201   3.971  -0.696
  454    HG   LEU  84           HG       LEU  84  -4.764   6.867   1.026
  455    HB2  LEU  84           2HB      LEU  84  -6.109   7.018  -0.710
  456    HB3  LEU  84           3HB      LEU  84  -7.385   6.104  -0.033
  457   HD11  LEU  84          1HD1      LEU  84  -7.333   5.931   2.319
  458   HD12  LEU  84          2HD1      LEU  84  -5.967   6.746   3.117
  459   HD13  LEU  84          3HD1      LEU  84  -6.907   7.609   1.896
  460   HD21  LEU  84          3HD2      LEU  84  -4.167   4.565   0.837
  461   HD22  LEU  84          1HD2      LEU  84  -4.596   4.888   2.531
  462   HD23  LEU  84          2HD2      LEU  84  -5.758   4.050   1.417
  463    H    GLU  85           H        GLU  85  -5.790   6.057  -3.518
  464    HA   GLU  85           HA       GLU  85  -8.464   5.203  -4.406
  465    HB2  GLU  85           2HB      GLU  85  -6.419   7.134  -5.585
  466    HB3  GLU  85           3HB      GLU  85  -7.981   6.781  -6.340
  467    HG2  GLU  85           2HG      GLU  85  -9.182   7.735  -4.465
  468    HG3  GLU  85           3HG      GLU  85  -7.686   8.018  -3.577
  469    H    ARG  86           H        ARG  86  -5.248   4.083  -4.741
  470    HA   ARG  86           HA       ARG  86  -5.588   3.052  -7.535
  471    HE   ARG  86           HE       ARG  86  -3.131   7.102  -8.843
  472    HB2  ARG  86           2HB      ARG  86  -3.338   4.157  -5.890
  473    HB3  ARG  86           3HB      ARG  86  -2.896   2.841  -6.725
  474    HG2  ARG  86           2HG      ARG  86  -2.388   4.715  -8.060
  475    HG3  ARG  86           3HG      ARG  86  -3.740   3.937  -8.907
  476    HD2  ARG  86           2HD      ARG  86  -5.387   5.400  -7.895
  477    HD3  ARG  86           3HD      ARG  86  -4.163   6.095  -6.818
  478   HH11  ARG  86          1HH2      ARG  86  -6.594   6.877  -8.311
  479   HH12  ARG  86          2HH2      ARG  86  -6.715   8.576  -7.940
  480   HH21  ARG  86          1HH1      ARG  86  -3.470   9.284  -8.731
  481   HH22  ARG  86          2HH1      ARG  86  -5.107   9.917  -8.607
  482    H    LEU  87           H        LEU  87  -4.990   2.007  -4.248
  483    HA   LEU  87           HA       LEU  87  -4.829  -0.792  -5.111
  484    HG   LEU  87           HG       LEU  87  -2.725  -0.971  -5.383
  485    HB2  LEU  87           2HB      LEU  87  -3.241   0.884  -3.118
  486    HB3  LEU  87           3HB      LEU  87  -3.452  -0.826  -2.897
  487   HD11  LEU  87          1HD1      LEU  87  -0.773   0.782  -5.676
  488   HD12  LEU  87          2HD1      LEU  87  -2.397   0.828  -6.357
  489   HD13  LEU  87          3HD1      LEU  87  -2.011   1.775  -4.877
  490   HD21  LEU  87          3HD2      LEU  87  -0.518  -0.389  -3.415
  491   HD22  LEU  87          1HD2      LEU  87  -1.403  -1.929  -3.507
  492   HD23  LEU  87          2HD2      LEU  87  -0.459  -1.392  -4.903
  493    H    ASN  88           H        ASN  88  -7.021   1.229  -3.758
  494    HA   ASN  88           HA       ASN  88  -7.790  -0.304  -1.421
  495    HB2  ASN  88           2HB      ASN  88  -8.180   2.051  -1.543
  496    HB3  ASN  88           3HB      ASN  88  -9.196   1.868  -2.974
  497   HD21  ASN  88          2HD2      ASN  88  -8.923   1.011   0.504
  498   HD22  ASN  88          1HD2      ASN  88 -10.650   0.929   0.741
  499    H    ASN  89           H        ASN  89  -7.880  -2.380  -2.084
  500    HA   ASN  89           HA       ASN  89  -8.965  -4.313  -2.343
  501    HB2  ASN  89           2HB      ASN  89 -10.787  -3.249  -1.183
  502    HB3  ASN  89           3HB      ASN  89 -11.523  -2.780  -2.710
  503   HD21  ASN  89          1HD2      ASN  89 -10.501  -5.474  -0.622
  504   HD22  ASN  89          2HD2      ASN  89 -11.601  -6.662  -1.323
  505    H    ILE  90           H        ILE  90  -7.365  -3.979  -4.008
  506    HA   ILE  90           HA       ILE  90  -8.384  -4.134  -6.824
  507    HB   ILE  90           HB       ILE  90  -6.098  -3.467  -7.502
  508   HG12  ILE  90          2HG1      ILE  90  -5.235  -2.805  -4.723
  509   HG13  ILE  90          3HG1      ILE  90  -5.054  -4.445  -5.222
  510   HG21  ILE  90          1HG2      ILE  90  -6.256  -1.190  -6.955
  511   HG22  ILE  90          2HG2      ILE  90  -7.887  -1.815  -7.136
  512   HG23  ILE  90          3HG2      ILE  90  -7.247  -1.509  -5.511
  513   HD11  ILE  90          3HD1      ILE  90  -3.929  -2.174  -6.834
  514   HD12  ILE  90          1HD1      ILE  90  -3.045  -3.215  -5.677
  515   HD13  ILE  90          2HD1      ILE  90  -3.754  -3.918  -7.142
  516    H    GLU  91           H        GLU  91  -7.449  -5.750  -8.176
  517    HA   GLU  91           HA       GLU  91  -6.573  -8.150  -6.732
  518    HB2  GLU  91           2HB      GLU  91  -8.187  -8.058  -8.740
  519    HB3  GLU  91           3HB      GLU  91  -6.693  -7.859  -9.652
  520    HG2  GLU  91           2HG      GLU  91  -5.852  -9.973  -8.588
  521    HG3  GLU  91           3HG      GLU  91  -7.470 -10.221  -7.933
  522    H    PHE  92           H        PHE  92  -4.617  -8.165  -6.038
  523    HA   PHE  92           HA       PHE  92  -2.226  -6.865  -7.062
  524    HD1  PHE  92           HD2      PHE  92   0.022  -8.286  -7.115
  525    HD2  PHE  92           HD1      PHE  92  -1.012  -8.158  -2.913
  526    HE1  PHE  92           HE2      PHE  92   2.362  -8.556  -6.541
  527    HE2  PHE  92           HE1      PHE  92   1.412  -8.322  -2.374
  528    HZ   PHE  92           HZ       PHE  92   3.073  -8.495  -4.202
  529    HB2  PHE  92           2HB      PHE  92  -2.677  -7.459  -4.667
  530    HB3  PHE  92           3HB      PHE  92  -2.639  -9.111  -5.053
  531    H    ARG  93           H        ARG  93  -2.385  -7.671  -9.265
  532    HA   ARG  93           HA       ARG  93  -1.723  -8.861 -10.987
  533    HE   ARG  93           HE       ARG  93   2.896  -7.501 -11.352
  534    HB2  ARG  93           2HB      ARG  93   0.105 -10.007  -8.876
  535    HB3  ARG  93           3HB      ARG  93   0.131 -10.724 -10.465
  536    HG2  ARG  93           2HG      ARG  93   0.786  -8.699 -11.536
  537    HG3  ARG  93           3HG      ARG  93   0.539  -7.751 -10.058
  538    HD2  ARG  93           2HD      ARG  93   2.331  -8.963  -8.920
  539    HD3  ARG  93           3HD      ARG  93   2.523 -10.058 -10.299
  540   HH11  ARG  93          2HH2      ARG  93   4.571  -9.285  -8.770
  541   HH12  ARG  93          1HH2      ARG  93   6.066  -8.420  -9.125
  542   HH21  ARG  93          1HH1      ARG  93   4.979  -6.703 -11.791
  543   HH22  ARG  93          2HH1      ARG  93   6.260  -7.071 -10.619
  544    H    GLY  94           H        GLY  94  -3.279 -10.594  -8.548
  545    HA2  GLY  94           2HA      GLY  94  -4.723 -12.588  -9.819
  546    HA3  GLY  94           3HA      GLY  94  -3.154 -13.314  -9.448
  547    H    SER  95           H        SER  95  -3.204 -11.311  -6.866
  548    HA   SER  95           HA       SER  95  -5.005 -12.909  -5.118
  549    HG   SER  95           HG       SER  95  -2.084 -13.263  -5.476
  550    HB2  SER  95           2HB      SER  95  -2.565 -11.192  -4.412
  551    HB3  SER  95           3HB      SER  95  -3.550 -12.143  -3.315
  552    H    VAL  96           H        VAL  96  -5.370 -10.861  -3.217
  553    HA   VAL  96           HA       VAL  96  -5.737  -8.337  -4.698
  554    HB   VAL  96           HB       VAL  96  -7.820  -8.314  -5.066
  555   HG11  VAL  96          1HG1      VAL  96  -8.244 -10.873  -3.618
  556   HG12  VAL  96          2HG1      VAL  96  -9.444  -9.996  -4.611
  557   HG13  VAL  96          3HG1      VAL  96  -7.966 -10.566  -5.369
  558   HG21  VAL  96          3HG2      VAL  96  -9.560  -8.013  -3.443
  559   HG22  VAL  96          1HG2      VAL  96  -8.434  -8.432  -2.134
  560   HG23  VAL  96          2HG2      VAL  96  -8.185  -6.982  -3.138
  561    H    ILE  97           H        ILE  97  -5.881  -6.446  -3.365
  562    HA   ILE  97           HA       ILE  97  -5.407  -6.794  -0.472
  563    HB   ILE  97           HB       ILE  97  -3.802  -4.849  -0.630
  564   HG12  ILE  97          2HG1      ILE  97  -3.485  -5.853  -3.466
  565   HG13  ILE  97          3HG1      ILE  97  -3.986  -4.249  -2.948
  566   HG21  ILE  97          1HG2      ILE  97  -1.882  -6.215  -0.516
  567   HG22  ILE  97          2HG2      ILE  97  -3.227  -7.096   0.184
  568   HG23  ILE  97          3HG2      ILE  97  -2.684  -7.533  -1.449
  569   HD11  ILE  97          3HD1      ILE  97  -1.732  -3.869  -1.982
  570   HD12  ILE  97          1HD1      ILE  97  -1.212  -5.463  -2.594
  571   HD13  ILE  97          2HD1      ILE  97  -1.699  -4.203  -3.726
  572    H    THR  98           H        THR  98  -6.021  -5.151   0.764
  573    HA   THR  98           HA       THR  98  -7.676  -2.952  -0.424
  574    HB   THR  98           HB       THR  98  -7.966  -4.330   2.232
  575    HG1  THR  98           1HG      THR  98  -8.588  -5.784   0.715
  576   HG21  THR  98          1HG2      THR  98 -10.201  -3.313   2.260
  577   HG22  THR  98          2HG2      THR  98  -8.909  -2.093   2.287
  578   HG23  THR  98          3HG2      THR  98  -9.797  -2.411   0.774
  579    H    VAL  99           H        VAL  99  -7.268  -0.908   0.382
  580    HA   VAL  99           HA       VAL  99  -5.149  -0.685   2.428
  581    HB   VAL  99           HB       VAL  99  -3.772   0.741   1.206
  582   HG11  VAL  99          1HG1      VAL  99  -3.620  -1.695   0.700
  583   HG12  VAL  99          2HG1      VAL  99  -4.617  -1.447  -0.728
  584   HG13  VAL  99          3HG1      VAL  99  -3.045  -0.649  -0.620
  585   HG21  VAL  99          3HG2      VAL  99  -5.314   2.107   0.008
  586   HG22  VAL  99          1HG2      VAL  99  -4.313   1.272  -1.182
  587   HG23  VAL  99          2HG2      VAL  99  -5.966   0.695  -0.844
  588    H    GLU 100           H        GLU 100  -4.970   1.093   3.572
  589    HA   GLU 100           HA       GLU 100  -6.689   3.465   3.230
  590    HB2  GLU 100           2HB      GLU 100  -8.005   3.061   5.287
  591    HB3  GLU 100           3HB      GLU 100  -8.403   1.874   4.073
  592    HG2  GLU 100           2HG      GLU 100  -6.266   0.985   5.962
  593    HG3  GLU 100           3HG      GLU 100  -7.758   1.447   6.754
  594    H    ARG 101           H        ARG 101  -6.466   4.990   4.946
  595    HA   ARG 101           HA       ARG 101  -3.760   5.240   5.907
  596    HE   ARG 101           HE       ARG 101  -9.273   8.132   6.013
  597    HB2  ARG 101           2HB      ARG 101  -4.509   7.322   6.783
  598    HB3  ARG 101           3HB      ARG 101  -5.089   7.111   5.156
  599    HG2  ARG 101           2HG      ARG 101  -7.312   6.262   6.382
  600    HG3  ARG 101           3HG      ARG 101  -6.638   7.173   7.741
  601    HD2  ARG 101           2HD      ARG 101  -6.486   9.186   6.240
  602    HD3  ARG 101           3HD      ARG 101  -7.163   8.238   4.931
  603   HH11  ARG 101          1HH2      ARG 101  -7.106  10.295   7.803
  604   HH12  ARG 101          2HH2      ARG 101  -8.454  11.005   8.653
  605   HH21  ARG 101          2HH1      ARG 101 -10.880   9.113   7.147
  606   HH22  ARG 101          1HH1      ARG 101 -10.507  10.366   8.296
  607    H    ASP 102           H        ASP 102  -2.857   5.131   7.826
  608    HA   ASP 102           HA       ASP 102  -4.324   3.770  10.038
  609    HB2  ASP 102           2HB      ASP 102  -3.031   2.124   9.281
  610    HB3  ASP 102           3HB      ASP 102  -1.854   3.168   8.522
  611    H    ASP 103           H        ASP 103  -2.361   6.601   9.397
  612    HA   ASP 103           HA       ASP 103  -2.611   7.262  12.298
  613    HB2  ASP 103           2HB      ASP 103  -0.426   8.209  12.389
  614    HB3  ASP 103           3HB      ASP 103  -0.314   6.523  11.904
  615    H    ASN 104           H        ASN 104  -2.391   8.624   9.010
  616    HA   ASN 104           HA       ASN 104  -4.165  10.838   9.891
  617    HB2  ASN 104           2HB      ASN 104  -1.767  11.667   9.869
  618    HB3  ASN 104           3HB      ASN 104  -1.691  11.272   8.154
  619   HD21  ASN 104          1HD2      ASN 104  -4.752  12.330   8.167
  620   HD22  ASN 104          2HD2      ASN 104  -4.478  14.071   8.070
  Start of MODEL    4
    1    HA   PRO  25           HA       PRO  25  11.034  15.468   6.674
    2    HB2  PRO  25           2HB      PRO  25  10.069  14.552   3.930
    3    HB3  PRO  25           3HB      PRO  25  11.480  15.597   4.320
    4    HG2  PRO  25           2HG      PRO  25  11.672  12.855   4.073
    5    HG3  PRO  25           3HG      PRO  25  12.682  13.780   5.218
    6    HD2  PRO  25           2HD      PRO  25  10.583  11.866   5.888
    7    HD3  PRO  25           3HD      PRO  25  11.696  12.739   6.954
    8    H    ALA  26           H        ALA  26   9.013  16.256   4.060
    9    HA   ALA  26           HA       ALA  26   7.477  18.274   5.322
   10    HB1  ALA  26           1HB      ALA  26   7.946  18.132   2.908
   11    HB2  ALA  26           2HB      ALA  26   6.979  16.646   2.787
   12    HB3  ALA  26           3HB      ALA  26   6.195  18.190   3.195
   13    H    LYS  27           H        LYS  27   6.850  14.854   4.838
   14    HA   LYS  27           HA       LYS  27   4.797  14.762   6.989
   15    HB2  LYS  27           2HB      LYS  27   4.307  14.373   4.115
   16    HB3  LYS  27           3HB      LYS  27   4.033  12.883   4.960
   17    HG2  LYS  27           2HG      LYS  27   2.751  15.546   5.705
   18    HG3  LYS  27           3HG      LYS  27   2.056  14.326   4.647
   19    HD2  LYS  27           2HD      LYS  27   2.404  12.686   6.680
   20    HD3  LYS  27           3HD      LYS  27   2.481  14.175   7.639
   21    HE2  LYS  27           2HE      LYS  27   0.220  13.207   5.838
   22    HE3  LYS  27           3HE      LYS  27   0.220  13.200   7.593
   23    HZ1  LYS  27           3HZ      LYS  27   0.326  15.671   5.916
   24    HZ2  LYS  27           1HZ      LYS  27  -1.002  15.110   6.658
   25    HZ3  LYS  27           2HZ      LYS  27   0.262  15.643   7.563
   26    H    ARG  28           H        ARG  28   4.376  12.694   7.638
   27    HA   ARG  28           HA       ARG  28   5.850  10.326   6.818
   28    HE   ARG  28           HE       ARG  28   8.180   8.356   9.066
   29    HB2  ARG  28           2HB      ARG  28   6.013  11.534   9.634
   30    HB3  ARG  28           3HB      ARG  28   6.072   9.805   9.341
   31    HG2  ARG  28           2HG      ARG  28   8.041  10.282   7.714
   32    HG3  ARG  28           3HG      ARG  28   8.061  11.904   8.438
   33    HD2  ARG  28           2HD      ARG  28   9.644  10.598   9.646
   34    HD3  ARG  28           3HD      ARG  28   8.220  10.829  10.691
   35   HH11  ARG  28          2HH2      ARG  28   9.222   9.506  12.221
   36   HH12  ARG  28          1HH2      ARG  28   9.047   7.912  12.916
   37   HH21  ARG  28          1HH1      ARG  28   7.961   6.518   9.929
   38   HH22  ARG  28          2HH1      ARG  28   8.336   6.203  11.626
   39    H    TYR  29           H        TYR  29   4.360   8.754   6.770
   40    HA   TYR  29           HA       TYR  29   1.938   8.867   8.480
   41    HD1  TYR  29           HD2      TYR  29   0.923   6.543   5.375
   42    HD2  TYR  29           HD1      TYR  29   2.635  10.365   4.228
   43    HE1  TYR  29           HE2      TYR  29   1.506   5.601   3.192
   44    HE2  TYR  29           HE1      TYR  29   2.917   9.487   1.992
   45    HH   TYR  29           HH       TYR  29   2.128   6.056   1.093
   46    HB2  TYR  29           2HB      TYR  29   0.419   8.685   6.619
   47    HB3  TYR  29           3HB      TYR  29   1.367  10.113   6.342
   48    H    ARG  30           H        ARG  30   0.649   6.856   8.183
   49    HA   ARG  30           HA       ARG  30   2.040   4.607   6.832
   50    HE   ARG  30           HE       ARG  30   3.987   3.480   8.466
   51    HB2  ARG  30           2HB      ARG  30   2.568   4.514   9.259
   52    HB3  ARG  30           3HB      ARG  30   0.874   4.599   9.590
   53    HG2  ARG  30           2HG      ARG  30   1.626   2.336   9.918
   54    HG3  ARG  30           3HG      ARG  30   0.488   2.376   8.576
   55    HD2  ARG  30           2HD      ARG  30   2.477   0.927   8.214
   56    HD3  ARG  30           3HD      ARG  30   2.258   2.148   6.967
   57   HH11  ARG  30          2HH1      ARG  30   4.260   0.153   7.493
   58   HH12  ARG  30          1HH1      ARG  30   5.790  -0.078   8.310
   59   HH21  ARG  30          2HH2      ARG  30   6.149   3.336   8.874
   60   HH22  ARG  30          1HH2      ARG  30   6.919   1.781   8.752
   61    H    ILE  31           H        ILE  31   0.729   3.667   5.460
   62    HA   ILE  31           HA       ILE  31  -2.229   3.715   5.912
   63    HB   ILE  31           HB       ILE  31  -2.589   3.227   3.551
   64   HG12  ILE  31          2HG1      ILE  31   0.386   3.632   3.148
   65   HG13  ILE  31          3HG1      ILE  31  -0.473   2.083   3.064
   66   HG21  ILE  31          1HG2      ILE  31  -0.930   5.744   3.909
   67   HG22  ILE  31          2HG2      ILE  31  -2.121   5.430   2.636
   68   HG23  ILE  31          3HG2      ILE  31  -2.650   5.528   4.310
   69   HD11  ILE  31          3HD1      ILE  31  -0.122   2.801   0.817
   70   HD12  ILE  31          1HD1      ILE  31  -1.850   2.998   1.178
   71   HD13  ILE  31          2HD1      ILE  31  -0.761   4.415   1.149
   72    H    THR  32           H        THR  32  -3.284   1.815   5.253
   73    HA   THR  32           HA       THR  32  -1.774  -0.733   5.639
   74    HB   THR  32           HB       THR  32  -4.477   0.143   6.732
   75    HG1  THR  32           1HG      THR  32  -3.367  -0.063   8.689
   76   HG21  THR  32          1HG2      THR  32  -2.983  -2.524   6.991
   77   HG22  THR  32          2HG2      THR  32  -4.359  -2.037   8.006
   78   HG23  THR  32          3HG2      THR  32  -4.587  -2.264   6.262
   79    H    MET  33           H        MET  33  -2.487  -2.404   4.433
   80    HA   MET  33           HA       MET  33  -4.624  -1.959   2.490
   81    HB2  MET  33           2HB      MET  33  -1.848  -2.992   1.697
   82    HB3  MET  33           3HB      MET  33  -3.170  -2.555   0.635
   83    HG2  MET  33           2HG      MET  33  -2.820  -0.161   1.829
   84    HG3  MET  33           3HG      MET  33  -1.233  -0.839   2.159
   85    HE1  MET  33           3HE      MET  33  -0.145  -2.153  -0.131
   86    HE2  MET  33           1HE      MET  33  -1.660  -2.414  -1.030
   87    HE3  MET  33           2HE      MET  33  -0.340  -1.467  -1.761
   88    H    LYS  34           H        LYS  34  -5.959  -3.550   2.581
   89    HA   LYS  34           HA       LYS  34  -5.144  -6.376   2.706
   90    HB2  LYS  34           2HB      LYS  34  -7.150  -6.394   4.689
   91    HB3  LYS  34           3HB      LYS  34  -5.631  -6.773   4.773
   92    HG2  LYS  34           2HG      LYS  34  -6.228  -5.235   6.569
   93    HG3  LYS  34           3HG      LYS  34  -5.395  -4.124   5.464
   94    HD2  LYS  34           2HD      LYS  34  -7.609  -3.545   4.447
   95    HD3  LYS  34           3HD      LYS  34  -8.405  -4.741   5.445
   96    HE2  LYS  34           2HE      LYS  34  -7.788  -3.565   7.503
   97    HE3  LYS  34           3HE      LYS  34  -6.875  -2.364   6.579
   98    HZ1  LYS  34           3HZ      LYS  34  -9.158  -1.647   7.191
   99    HZ2  LYS  34           1HZ      LYS  34  -8.864  -1.562   5.595
  100    HZ3  LYS  34           2HZ      LYS  34  -9.790  -2.789   6.202
  101    H    ASN  35           H        ASN  35  -6.878  -7.828   2.657
  102    HA   ASN  35           HA       ASN  35  -9.340  -6.972   3.300
  103    HB2  ASN  35           2HB      ASN  35  -9.779  -5.906   1.371
  104    HB3  ASN  35           3HB      ASN  35  -8.841  -6.945   0.354
  105   HD21  ASN  35          1HD2      ASN  35  -9.889  -8.189  -1.032
  106   HD22  ASN  35          2HD2      ASN  35 -11.599  -8.622  -0.920
  107    H    LEU  36           H        LEU  36 -11.050  -8.844   3.164
  108    HA   LEU  36           HA       LEU  36 -10.008 -10.827   4.668
  109    HG   LEU  36           HG       LEU  36 -12.044 -13.205   4.068
  110    HB2  LEU  36           2HB      LEU  36 -12.367 -10.203   4.503
  111    HB3  LEU  36           3HB      LEU  36 -12.508 -11.026   2.953
  112   HD11  LEU  36          1HD1      LEU  36 -10.708 -12.492   6.007
  113   HD12  LEU  36          2HD1      LEU  36 -12.083 -11.557   6.639
  114   HD13  LEU  36          3HD1      LEU  36 -12.159 -13.331   6.549
  115   HD21  LEU  36          3HD2      LEU  36 -14.279 -11.586   5.360
  116   HD22  LEU  36          1HD2      LEU  36 -14.356 -12.391   3.775
  117   HD23  LEU  36          2HD2      LEU  36 -14.191 -13.359   5.246
  118    HA   PRO  37           HA       PRO  37  -9.398 -14.105   1.216
  119    HB2  PRO  37           2HB      PRO  37  -8.895 -12.490  -1.252
  120    HB3  PRO  37           3HB      PRO  37  -9.838 -13.998  -1.056
  121    HG2  PRO  37           2HG      PRO  37 -11.073 -11.602  -1.430
  122    HG3  PRO  37           3HG      PRO  37 -11.737 -12.799  -0.267
  123    HD2  PRO  37           2HD      PRO  37  -9.903 -10.452   0.312
  124    HD3  PRO  37           3HD      PRO  37 -11.465 -10.858   1.084
  125    H    GLU  38           H        GLU  38  -7.489 -11.290   1.803
  126    HA   GLU  38           HA       GLU  38  -4.997 -12.649   0.912
  127    HB2  GLU  38           2HB      GLU  38  -5.854 -11.080  -0.834
  128    HB3  GLU  38           3HB      GLU  38  -5.779  -9.766   0.340
  129    HG2  GLU  38           3HG      GLU  38  -3.997  -9.717  -1.216
  130    HG3  GLU  38           2HG      GLU  38  -3.320  -9.905   0.415
  131    H    GLY  39           H        GLY  39  -3.200 -12.284   1.907
  132    HA2  GLY  39           2HA      GLY  39  -3.108 -10.512   4.336
  133    HA3  GLY  39           3HA      GLY  39  -2.379 -12.119   4.248
  134    H    CYS  40           H        CYS  40  -1.614 -11.513   1.362
  135    HA   CYS  40           HA       CYS  40   0.263 -11.150   0.259
  136    HG   CYS  40           HG       CYS  40  -0.384  -8.309   2.660
  137    HB2  CYS  40           2HB      CYS  40   0.834  -8.641   0.073
  138    HB3  CYS  40           3HB      CYS  40  -0.728  -9.226  -0.452
  139    H    SER  41           H        SER  41   2.431  -9.956   0.061
  140    HA   SER  41           HA       SER  41   4.093 -10.100   2.540
  141    HG   SER  41           HG       SER  41   3.592 -12.403  -0.055
  142    HB2  SER  41           2HB      SER  41   5.247 -11.035  -0.051
  143    HB3  SER  41           3HB      SER  41   5.687 -11.485   1.597
  144    H    TRP  42           H        TRP  42   6.130  -8.696   2.286
  145    HA   TRP  42           HA       TRP  42   5.398  -6.316   0.982
  146    HD1  TRP  42           HD1      TRP  42   9.975  -5.189   1.548
  147    HE1  TRP  42           HE1      TRP  42  10.116  -2.953   0.305
  148    HE3  TRP  42           HE3      TRP  42   4.970  -4.380   0.644
  149    HZ2  TRP  42           HZ2      TRP  42   8.322  -1.206  -1.185
  150    HZ3  TRP  42           HZ3      TRP  42   4.267  -2.500  -0.765
  151    HH2  TRP  42           HH2      TRP  42   5.876  -0.869  -1.606
  152    HB2  TRP  42           2HB      TRP  42   7.034  -6.224   2.759
  153    HB3  TRP  42           3HB      TRP  42   8.209  -7.067   1.769
  154    H    GLN  43           H        GLN  43   7.546  -8.888  -0.268
  155    HA   GLN  43           HA       GLN  43   8.118  -7.533  -2.639
  156    HB2  GLN  43           2HB      GLN  43   8.700  -9.754  -3.570
  157    HB3  GLN  43           3HB      GLN  43   9.389  -9.517  -1.973
  158    HG2  GLN  43           2HG      GLN  43   6.759 -11.030  -2.299
  159    HG3  GLN  43           3HG      GLN  43   8.297 -11.797  -2.637
  160   HE21  GLN  43          2HE2      GLN  43   7.784 -13.352  -0.946
  161   HE22  GLN  43          1HE2      GLN  43   8.033 -12.885   0.722
  162    H    ASP  44           H        ASP  44   5.167  -9.061  -1.863
  163    HA   ASP  44           HA       ASP  44   4.190  -9.303  -4.618
  164    HB2  ASP  44           2HB      ASP  44   2.775  -9.340  -1.911
  165    HB3  ASP  44           3HB      ASP  44   2.117  -9.679  -3.476
  166    H    LEU  45           H        LEU  45   3.801  -7.194  -1.778
  167    HA   LEU  45           HA       LEU  45   2.059  -5.344  -3.143
  168    HG   LEU  45           HG       LEU  45   1.189  -6.593  -0.794
  169    HB2  LEU  45           2HB      LEU  45   3.447  -5.573  -0.477
  170    HB3  LEU  45           3HB      LEU  45   2.796  -4.021  -0.965
  171   HD11  LEU  45          1HD1      LEU  45   0.165  -5.334   1.155
  172   HD12  LEU  45          2HD1      LEU  45   1.867  -5.764   1.374
  173   HD13  LEU  45          3HD1      LEU  45   1.418  -4.091   0.944
  174   HD21  LEU  45          3HD2      LEU  45   0.489  -3.758  -1.594
  175   HD22  LEU  45          1HD2      LEU  45   0.068  -5.243  -2.426
  176   HD23  LEU  45          2HD2      LEU  45  -0.751  -4.850  -0.915
  177    H    LYS  46           H        LYS  46   5.561  -5.454  -2.726
  178    HA   LYS  46           HA       LYS  46   6.292  -2.886  -3.794
  179    HB2  LYS  46           2HB      LYS  46   7.620  -5.278  -3.014
  180    HB3  LYS  46           3HB      LYS  46   7.936  -5.198  -4.722
  181    HG2  LYS  46           2HG      LYS  46   8.631  -3.124  -2.636
  182    HG3  LYS  46           3HG      LYS  46   9.724  -4.264  -3.383
  183    HD2  LYS  46           2HD      LYS  46   9.399  -3.158  -5.562
  184    HD3  LYS  46           3HD      LYS  46   8.299  -1.976  -4.787
  185    HE2  LYS  46           2HE      LYS  46  10.039  -1.119  -3.392
  186    HE3  LYS  46           3HE      LYS  46  11.144  -2.425  -3.828
  187    HZ1  LYS  46           3HZ      LYS  46  11.615  -0.318  -5.014
  188    HZ2  LYS  46           1HZ      LYS  46  11.275  -1.523  -6.065
  189    HZ3  LYS  46           2HZ      LYS  46  10.163  -0.351  -5.738
  190    H    ASP  47           H        ASP  47   5.753  -6.047  -5.364
  191    HA   ASP  47           HA       ASP  47   5.864  -5.163  -8.041
  192    HB2  ASP  47           2HB      ASP  47   5.730  -7.554  -7.306
  193    HB3  ASP  47           3HB      ASP  47   4.015  -7.344  -7.036
  194    H    LEU  48           H        LEU  48   2.822  -5.614  -6.235
  195    HA   LEU  48           HA       LEU  48   1.372  -4.390  -8.232
  196    HG   LEU  48           HG       LEU  48  -0.950  -3.670  -7.756
  197    HB2  LEU  48           2HB      LEU  48   0.279  -5.656  -6.542
  198    HB3  LEU  48           3HB      LEU  48   0.661  -4.480  -5.284
  199   HD11  LEU  48          1HD1      LEU  48  -3.023  -4.039  -6.437
  200   HD12  LEU  48          2HD1      LEU  48  -2.152  -5.533  -6.782
  201   HD13  LEU  48          3HD1      LEU  48  -2.073  -4.781  -5.150
  202   HD21  LEU  48          3HD2      LEU  48  -0.828  -2.667  -4.918
  203   HD22  LEU  48          1HD2      LEU  48  -0.325  -1.812  -6.427
  204   HD23  LEU  48          2HD2      LEU  48  -2.009  -2.135  -6.142
  205    H    ALA  49           H        ALA  49   2.961  -2.769  -5.441
  206    HA   ALA  49           HA       ALA  49   1.849  -0.241  -5.872
  207    HB1  ALA  49           1HB      ALA  49   4.490  -1.224  -4.763
  208    HB2  ALA  49           2HB      ALA  49   3.994   0.489  -4.679
  209    HB3  ALA  49           3HB      ALA  49   2.990  -0.741  -3.881
  210    H    ARG  50           H        ARG  50   4.681  -1.694  -7.543
  211    HA   ARG  50           HA       ARG  50   5.249   0.826  -9.012
  212    HE   ARG  50           HE       ARG  50   6.717  -3.762  -8.137
  213    HB2  ARG  50           2HB      ARG  50   5.934  -2.046  -9.668
  214    HB3  ARG  50           3HB      ARG  50   6.582  -0.645 -10.507
  215    HG2  ARG  50           2HG      ARG  50   8.182  -0.284  -9.014
  216    HG3  ARG  50           3HG      ARG  50   7.039  -0.173  -7.696
  217    HD2  ARG  50           2HD      ARG  50   9.019  -1.979  -7.935
  218    HD3  ARG  50           3HD      ARG  50   7.694  -2.038  -6.796
  219   HH11  ARG  50          1HH1      ARG  50   9.561  -2.588  -9.810
  220   HH12  ARG  50          2HH1      ARG  50   9.441  -3.789 -11.068
  221   HH21  ARG  50          1HH2      ARG  50   6.611  -5.317  -9.892
  222   HH22  ARG  50          2HH2      ARG  50   7.882  -5.265 -11.049
  223    H    GLU  51           H        GLU  51   3.391  -2.101  -9.569
  224    HA   GLU  51           HA       GLU  51   2.273  -1.447 -12.127
  225    HB2  GLU  51           2HB      GLU  51   0.635  -2.712  -9.913
  226    HB3  GLU  51           3HB      GLU  51   0.228  -2.602 -11.533
  227    HG2  GLU  51           2HG      GLU  51   2.671  -3.939 -10.344
  228    HG3  GLU  51           3HG      GLU  51   1.289  -4.823 -10.743
  229    H    ASN  52           H        ASN  52   1.565  -0.102  -9.092
  230    HA   ASN  52           HA       ASN  52  -0.705   1.507 -10.120
  231    HB2  ASN  52           2HB      ASN  52   0.174   0.150  -7.566
  232    HB3  ASN  52           3HB      ASN  52  -0.827   1.487  -7.430
  233   HD21  ASN  52          2HD2      ASN  52  -0.574  -1.711  -8.767
  234   HD22  ASN  52          1HD2      ASN  52  -2.309  -1.952  -8.996
  235    H    SER  53           H        SER  53   2.536   2.028  -9.436
  236    HA   SER  53           HA       SER  53   3.826   3.873  -9.385
  237    HG   SER  53           HG       SER  53   2.088   3.854 -11.666
  238    HB2  SER  53           2HB      SER  53   1.353   5.471 -10.133
  239    HB3  SER  53           3HB      SER  53   3.020   6.069 -10.131
  240    H    LEU  54           H        LEU  54   2.530   2.802  -7.074
  241    HA   LEU  54           HA       LEU  54   2.221   4.991  -5.101
  242    HG   LEU  54           HG       LEU  54   0.398   1.921  -4.615
  243    HB2  LEU  54           2HB      LEU  54   2.527   1.978  -5.020
  244    HB3  LEU  54           3HB      LEU  54   2.906   2.884  -3.577
  245   HD11  LEU  54          1HD1      LEU  54  -0.266   2.181  -2.267
  246   HD12  LEU  54          2HD1      LEU  54   1.359   1.503  -2.351
  247   HD13  LEU  54          3HD1      LEU  54   1.142   3.210  -1.947
  248   HD21  LEU  54          3HD2      LEU  54   0.020   4.228  -5.412
  249   HD22  LEU  54          1HD2      LEU  54  -1.055   3.750  -4.116
  250   HD23  LEU  54          2HD2      LEU  54   0.310   4.833  -3.749
  251    H    GLU  55           H        GLU  55   4.631   2.396  -5.575
  252    HA   GLU  55           HA       GLU  55   6.481   2.104  -4.305
  253    HB2  GLU  55           2HB      GLU  55   7.197   2.444  -6.548
  254    HB3  GLU  55           3HB      GLU  55   7.335   4.200  -6.308
  255    HG2  GLU  55           2HG      GLU  55   9.158   4.059  -5.063
  256    HG3  GLU  55           3HG      GLU  55   8.686   2.658  -4.163
  257    H    THR  56           H        THR  56   5.345   2.933  -2.375
  258    HA   THR  56           HA       THR  56   6.337   5.432  -1.254
  259    HB   THR  56           HB       THR  56   5.129   5.098   0.553
  260    HG1  THR  56           1HG      THR  56   5.819   3.589   1.692
  261   HG21  THR  56          1HG2      THR  56   3.035   4.045   0.232
  262   HG22  THR  56          2HG2      THR  56   3.547   4.567  -1.368
  263   HG23  THR  56          3HG2      THR  56   3.697   2.876  -0.932
  264    H    THR  57           H        THR  57   7.706   5.082   1.001
  265    HA   THR  57           HA       THR  57  10.311   4.315   0.113
  266    HB   THR  57           HB       THR  57   9.400   4.509   3.009
  267    HG1  THR  57           1HG      THR  57  10.185   6.655   1.313
  268   HG21  THR  57          1HG2      THR  57  11.621   5.559   3.342
  269   HG22  THR  57          2HG2      THR  57  11.722   3.879   2.791
  270   HG23  THR  57          3HG2      THR  57  12.025   5.210   1.641
  271    H    PHE  58           H        PHE  58   7.886   2.759   2.178
  272    HA   PHE  58           HA       PHE  58   9.047   0.113   2.010
  273    HD1  PHE  58           HD2      PHE  58   9.094   3.274   5.238
  274    HD2  PHE  58           HD1      PHE  58   9.369  -1.008   5.697
  275    HE1  PHE  58           HE2      PHE  58   8.732   3.509   7.679
  276    HE2  PHE  58           HE1      PHE  58   8.979  -0.774   8.139
  277    HZ   PHE  58           HZ       PHE  58   8.788   1.490   9.150
  278    HB2  PHE  58           2HB      PHE  58  10.329   0.109   3.796
  279    HB3  PHE  58           3HB      PHE  58  10.412   1.812   3.675
  280    H    SER  59           H        SER  59   7.919  -1.439   3.387
  281    HA   SER  59           HA       SER  59   5.386  -0.495   4.603
  282    HG   SER  59           HG       SER  59   3.395  -3.003   3.062
  283    HB2  SER  59           2HB      SER  59   4.705  -1.278   2.452
  284    HB3  SER  59           3HB      SER  59   5.613  -2.756   2.626
  285    H    SER  60           H        SER  60   4.567  -1.849   6.140
  286    HA   SER  60           HA       SER  60   6.346  -3.909   7.408
  287    HG   SER  60           HG       SER  60   6.809  -2.503   9.417
  288    HB2  SER  60           2HB      SER  60   4.132  -2.143   8.486
  289    HB3  SER  60           3HB      SER  60   4.812  -3.523   9.382
  290    H    VAL  61           H        VAL  61   5.774  -5.795   6.513
  291    HA   VAL  61           HA       VAL  61   2.901  -6.469   6.154
  292    HB   VAL  61           HB       VAL  61   5.110  -7.519   4.345
  293   HG11  VAL  61          1HG1      VAL  61   2.119  -7.115   3.880
  294   HG12  VAL  61          2HG1      VAL  61   3.236  -7.673   2.682
  295   HG13  VAL  61          3HG1      VAL  61   2.931  -8.684   4.082
  296   HG21  VAL  61          3HG2      VAL  61   3.503  -4.986   3.994
  297   HG22  VAL  61          1HG2      VAL  61   5.275  -5.120   4.044
  298   HG23  VAL  61          2HG2      VAL  61   4.362  -5.764   2.680
  299    H    ASN  62           H        ASN  62   2.613  -8.916   5.907
  300    HA   ASN  62           HA       ASN  62   2.778 -11.069   6.523
  301    HB2  ASN  62           2HB      ASN  62   5.718 -10.420   7.020
  302    HB3  ASN  62           3HB      ASN  62   5.038 -12.026   7.030
  303   HD21  ASN  62          1HD2      ASN  62   6.729  -9.941   5.079
  304   HD22  ASN  62          2HD2      ASN  62   6.355 -10.775   3.578
  305    H    THR  63           H        THR  63   3.539  -8.766   9.039
  306    HA   THR  63           HA       THR  63   2.712 -10.745  11.107
  307    HB   THR  63           HB       THR  63   5.114 -11.047  10.648
  308    HG1  THR  63           1HG      THR  63   4.495 -10.022  13.186
  309   HG21  THR  63          1HG2      THR  63   5.878  -8.834  10.072
  310   HG22  THR  63          2HG2      THR  63   5.474  -8.209  11.683
  311   HG23  THR  63          3HG2      THR  63   6.765  -9.414  11.484
  312    H    ARG  64           H        ARG  64   1.554  -8.058  10.224
  313    HA   ARG  64           HA       ARG  64   1.754  -6.601  12.856
  314    HE   ARG  64           HE       ARG  64  -1.422  -4.303   9.633
  315    HB2  ARG  64           2HB      ARG  64   1.411  -4.536  11.661
  316    HB3  ARG  64           3HB      ARG  64   2.800  -5.380  11.003
  317    HG2  ARG  64           2HG      ARG  64   1.844  -5.680   8.953
  318    HG3  ARG  64           3HG      ARG  64   0.242  -5.986   9.602
  319    HD2  ARG  64           2HD      ARG  64   1.386  -3.195   9.610
  320    HD3  ARG  64           3HD      ARG  64   0.613  -3.889   8.184
  321   HH11  ARG  64          1HH2      ARG  64   0.589  -1.480  10.249
  322   HH12  ARG  64          2HH2      ARG  64  -0.797  -0.533  10.760
  323   HH21  ARG  64          2HH1      ARG  64  -3.043  -3.094  10.419
  324   HH22  ARG  64          1HH1      ARG  64  -2.786  -1.354  10.681
  325    H    ASP  65           H        ASP  65  -0.508  -8.514  11.404
  326    HA   ASP  65           HA       ASP  65  -2.795  -7.036  12.595
  327    HB2  ASP  65           2HB      ASP  65  -1.971  -6.437  10.025
  328    HB3  ASP  65           3HB      ASP  65  -3.081  -7.744   9.740
  329    H    PHE  66           H        PHE  66  -4.854  -8.265  11.190
  330    HA   PHE  66           HA       PHE  66  -5.526 -10.496  12.596
  331    HD1  PHE  66           HD1      PHE  66  -5.010  -8.848   8.923
  332    HD2  PHE  66           HD2      PHE  66  -8.290 -11.608   9.342
  333    HE1  PHE  66           HE1      PHE  66  -4.847  -9.413   6.509
  334    HE2  PHE  66           HE2      PHE  66  -8.225 -12.050   6.904
  335    HZ   PHE  66           HZ       PHE  66  -6.488 -10.970   5.478
  336    HB2  PHE  66           2HB      PHE  66  -7.387 -10.643  11.261
  337    HB3  PHE  66           3HB      PHE  66  -6.915  -8.973  11.047
  338    H    ASP  67           H        ASP  67  -3.653 -10.621   9.613
  339    HA   ASP  67           HA       ASP  67  -2.646 -13.233  10.381
  340    HB2  ASP  67           2HB      ASP  67  -3.277 -14.559   8.708
  341    HB3  ASP  67           3HB      ASP  67  -4.710 -13.548   8.715
  342    H    GLY  68           H        GLY  68  -2.605 -10.662   7.903
  343    HA2  GLY  68           2HA      GLY  68   0.157 -10.030   8.638
  344    HA3  GLY  68           3HA      GLY  68  -0.075 -10.594   6.962
  345    H    THR  69           H        THR  69  -1.693  -9.276   5.669
  346    HA   THR  69           HA       THR  69  -2.337  -7.296   4.697
  347    HB   THR  69           HB       THR  69  -3.000  -5.379   5.787
  348    HG1  THR  69           1HG      THR  69  -1.373  -6.259   7.900
  349   HG21  THR  69          1HG2      THR  69  -4.367  -6.067   7.723
  350   HG22  THR  69          2HG2      THR  69  -4.480  -7.221   6.378
  351   HG23  THR  69          3HG2      THR  69  -3.509  -7.623   7.752
  352    H    GLY  70           H        GLY  70  -1.314  -5.102   4.093
  353    HA2  GLY  70           2HA      GLY  70   1.560  -4.934   4.967
  354    HA3  GLY  70           3HA      GLY  70   1.136  -4.677   3.277
  355    H    ALA  71           H        ALA  71   2.188  -2.991   5.629
  356    HA   ALA  71           HA       ALA  71   0.297  -0.738   5.221
  357    HB1  ALA  71           1HB      ALA  71   1.683  -1.548   7.812
  358    HB2  ALA  71           2HB      ALA  71   0.602  -0.150   7.593
  359    HB3  ALA  71           3HB      ALA  71  -0.044  -1.777   7.413
  360    H    LEU  72           H        LEU  72   1.176   0.782   4.128
  361    HA   LEU  72           HA       LEU  72   4.077   0.815   3.524
  362    HG   LEU  72           HG       LEU  72   2.220   1.027   0.270
  363    HB2  LEU  72           2HB      LEU  72   1.661   2.054   2.332
  364    HB3  LEU  72           3HB      LEU  72   3.202   2.537   1.879
  365   HD11  LEU  72          1HD1      LEU  72   4.399   0.967  -0.158
  366   HD12  LEU  72          2HD1      LEU  72   4.868   0.597   1.481
  367   HD13  LEU  72          3HD1      LEU  72   4.246  -0.671   0.421
  368   HD21  LEU  72          3HD2      LEU  72   1.994  -1.342   0.622
  369   HD22  LEU  72          1HD2      LEU  72   2.408  -1.151   2.333
  370   HD23  LEU  72          2HD2      LEU  72   0.930  -0.424   1.703
  371    H    GLU  73           H        GLU  73   5.235   2.727   3.644
  372    HA   GLU  73           HA       GLU  73   4.052   5.175   5.019
  373    HB2  GLU  73           2HB      GLU  73   5.214   4.147   6.683
  374    HB3  GLU  73           3HB      GLU  73   6.611   3.743   5.678
  375    HG2  GLU  73           2HG      GLU  73   7.423   5.945   5.661
  376    HG3  GLU  73           3HG      GLU  73   5.877   6.649   6.101
  377    H    PHE  74           H        PHE  74   4.732   7.210   4.121
  378    HA   PHE  74           HA       PHE  74   7.146   7.294   2.453
  379    HD1  PHE  74           HD2      PHE  74   7.462   6.657   0.160
  380    HD2  PHE  74           HD1      PHE  74   5.570  10.468  -0.003
  381    HE1  PHE  74           HE2      PHE  74   9.131   7.380  -1.530
  382    HE2  PHE  74           HE1      PHE  74   7.277  11.269  -1.598
  383    HZ   PHE  74           HZ       PHE  74   9.061   9.720  -2.385
  384    HB2  PHE  74           2HB      PHE  74   4.785   7.254   1.018
  385    HB3  PHE  74           3HB      PHE  74   4.807   8.903   1.484
  386    HA   PRO  75           HA       PRO  75   7.589  11.275   4.514
  387    HB2  PRO  75           2HB      PRO  75   9.320  12.606   2.790
  388    HB3  PRO  75           3HB      PRO  75   9.779  11.340   3.970
  389    HG2  PRO  75           2HG      PRO  75   9.132  10.982   1.036
  390    HG3  PRO  75           3HG      PRO  75  10.578  10.402   1.929
  391    HD2  PRO  75           2HD      PRO  75   8.558   8.740   1.550
  392    HD3  PRO  75           3HD      PRO  75   9.279   8.826   3.161
  393    H    SER  76           H        SER  76   5.690  11.047   1.690
  394    HA   SER  76           HA       SER  76   4.678  13.821   2.153
  395    HG   SER  76           HG       SER  76   6.157  14.610  -0.858
  396    HB2  SER  76           2HB      SER  76   5.023  12.493  -0.512
  397    HB3  SER  76           3HB      SER  76   4.212  14.032  -0.221
  398    H    GLU  77           H        GLU  77   2.554  13.772   2.592
  399    HA   GLU  77           HA       GLU  77   0.921  11.514   2.390
  400    HB2  GLU  77           2HB      GLU  77  -0.998  13.012   2.734
  401    HB3  GLU  77           3HB      GLU  77   0.331  13.294   3.833
  402    HG2  GLU  77           2HG      GLU  77   1.015  15.203   2.138
  403    HG3  GLU  77           3HG      GLU  77  -0.635  15.015   1.534
  404    H    GLU  78           H        GLU  78   1.873  13.521  -0.199
  405    HA   GLU  78           HA       GLU  78  -0.043  13.232  -2.195
  406    HB2  GLU  78           2HB      GLU  78   2.968  12.725  -2.363
  407    HB3  GLU  78           3HB      GLU  78   1.913  13.043  -3.737
  408    HG2  GLU  78           2HG      GLU  78   1.467  15.312  -2.932
  409    HG3  GLU  78           3HG      GLU  78   2.385  15.011  -1.456
  410    H    ILE  79           H        ILE  79   2.404  10.732  -1.267
  411    HA   ILE  79           HA       ILE  79   1.337   8.808  -3.152
  412    HB   ILE  79           HB       ILE  79   3.316   8.258  -0.918
  413   HG12  ILE  79          2HG1      ILE  79   3.632   9.783  -3.449
  414   HG13  ILE  79          3HG1      ILE  79   4.421   9.979  -1.955
  415   HG21  ILE  79          1HG2      ILE  79   2.858   6.932  -3.621
  416   HG22  ILE  79          2HG2      ILE  79   4.072   6.452  -2.421
  417   HG23  ILE  79          3HG2      ILE  79   2.352   6.271  -2.060
  418   HD11  ILE  79          3HD1      ILE  79   6.058   9.310  -3.612
  419   HD12  ILE  79          1HD1      ILE  79   5.840   7.885  -2.569
  420   HD13  ILE  79          2HD1      ILE  79   5.071   7.962  -4.164
  421    H    LEU  80           H        LEU  80   0.767   9.490   0.227
  422    HA   LEU  80           HA       LEU  80  -0.610   7.110   0.952
  423    HG   LEU  80           HG       LEU  80  -2.601   9.968   2.274
  424    HB2  LEU  80           2HB      LEU  80  -0.132   8.238   2.814
  425    HB3  LEU  80           3HB      LEU  80  -0.115   9.772   2.052
  426   HD11  LEU  80          1HD1      LEU  80  -3.076   7.497   2.695
  427   HD12  LEU  80          2HD1      LEU  80  -2.335   7.734   4.304
  428   HD13  LEU  80          3HD1      LEU  80  -3.802   8.622   3.859
  429   HD21  LEU  80          3HD2      LEU  80  -1.026  11.002   3.877
  430   HD22  LEU  80          1HD2      LEU  80  -2.537  10.480   4.649
  431   HD23  LEU  80          2HD2      LEU  80  -1.059   9.515   4.847
  432    H    VAL  81           H        VAL  81  -1.711  10.259  -0.348
  433    HA   VAL  81           HA       VAL  81  -4.556   9.591  -0.303
  434    HB   VAL  81           HB       VAL  81  -2.990  11.863  -1.642
  435   HG11  VAL  81          1HG1      VAL  81  -5.100  11.618  -2.863
  436   HG12  VAL  81          2HG1      VAL  81  -6.011  11.565  -1.333
  437   HG13  VAL  81          3HG1      VAL  81  -5.177  13.051  -1.843
  438   HG21  VAL  81          3HG2      VAL  81  -3.866  13.280   0.127
  439   HG22  VAL  81          1HG2      VAL  81  -4.769  11.906   0.822
  440   HG23  VAL  81          2HG2      VAL  81  -2.996  11.925   0.844
  441    H    GLU  82           H        GLU  82  -1.977   9.573  -2.746
  442    HA   GLU  82           HA       GLU  82  -3.424   8.769  -4.958
  443    HB2  GLU  82           2HB      GLU  82  -0.736   8.494  -3.668
  444    HB3  GLU  82           3HB      GLU  82  -1.111   7.279  -4.739
  445    HG2  GLU  82           2HG      GLU  82  -0.671  10.202  -5.171
  446    HG3  GLU  82           3HG      GLU  82   0.137   8.840  -5.930
  447    H    ALA  83           H        ALA  83  -1.751   6.501  -2.623
  448    HA   ALA  83           HA       ALA  83  -3.019   4.136  -3.486
  449    HB1  ALA  83           1HB      ALA  83  -2.360   4.794  -0.598
  450    HB2  ALA  83           2HB      ALA  83  -2.389   3.194  -1.386
  451    HB3  ALA  83           3HB      ALA  83  -1.143   4.388  -1.818
  452    H    LEU  84           H        LEU  84  -4.342   6.392  -1.140
  453    HA   LEU  84           HA       LEU  84  -6.688   4.826  -0.364
  454    HG   LEU  84           HG       LEU  84  -4.958   7.661   1.437
  455    HB2  LEU  84           2HB      LEU  84  -6.265   7.846  -0.296
  456    HB3  LEU  84           3HB      LEU  84  -7.585   7.026   0.422
  457   HD11  LEU  84          1HD1      LEU  84  -6.038   7.331   3.580
  458   HD12  LEU  84          2HD1      LEU  84  -7.071   8.248   2.472
  459   HD13  LEU  84          3HD1      LEU  84  -7.420   6.529   2.776
  460   HD21  LEU  84          3HD2      LEU  84  -4.286   5.392   1.079
  461   HD22  LEU  84          1HD2      LEU  84  -4.650   5.588   2.799
  462   HD23  LEU  84          2HD2      LEU  84  -5.831   4.779   1.680
  463    H    GLU  85           H        GLU  85  -6.020   6.963  -3.078
  464    HA   GLU  85           HA       GLU  85  -8.757   6.421  -4.004
  465    HB2  GLU  85           2HB      GLU  85  -6.582   8.238  -5.122
  466    HB3  GLU  85           3HB      GLU  85  -8.214   8.092  -5.795
  467    HG2  GLU  85           2HG      GLU  85  -9.197   9.081  -3.826
  468    HG3  GLU  85           3HG      GLU  85  -7.630   9.156  -3.020
  469    H    ARG  86           H        ARG  86  -5.696   4.925  -4.433
  470    HA   ARG  86           HA       ARG  86  -6.133   4.269  -7.325
  471    HE   ARG  86           HE       ARG  86  -3.549   8.292  -8.199
  472    HB2  ARG  86           2HB      ARG  86  -3.787   4.994  -5.609
  473    HB3  ARG  86           3HB      ARG  86  -3.457   3.745  -6.582
  474    HG2  ARG  86           2HG      ARG  86  -2.812   5.851  -7.618
  475    HG3  ARG  86           3HG      ARG  86  -4.071   5.118  -8.637
  476    HD2  ARG  86           2HD      ARG  86  -5.826   6.447  -7.678
  477    HD3  ARG  86           3HD      ARG  86  -4.750   7.026  -6.400
  478   HH11  ARG  86          1HH2      ARG  86  -7.059   7.967  -8.087
  479   HH12  ARG  86          2HH2      ARG  86  -7.222   9.590  -7.431
  480   HH21  ARG  86          2HH1      ARG  86  -3.975  10.406  -7.551
  481   HH22  ARG  86          1HH1      ARG  86  -5.646  10.908  -7.345
  482    H    LEU  87           H        LEU  87  -5.557   2.844  -4.156
  483    HA   LEU  87           HA       LEU  87  -5.778   0.149  -5.310
  484    HG   LEU  87           HG       LEU  87  -3.428  -0.315  -5.370
  485    HB2  LEU  87           2HB      LEU  87  -4.162   1.285  -2.996
  486    HB3  LEU  87           3HB      LEU  87  -4.534  -0.377  -3.157
  487   HD11  LEU  87          1HD1      LEU  87  -3.013   2.477  -4.768
  488   HD12  LEU  87          2HD1      LEU  87  -1.677   1.602  -5.520
  489   HD13  LEU  87          3HD1      LEU  87  -3.271   1.565  -6.295
  490   HD21  LEU  87          3HD2      LEU  87  -2.238  -1.154  -3.381
  491   HD22  LEU  87          1HD2      LEU  87  -1.109  -0.297  -4.442
  492   HD23  LEU  87          2HD2      LEU  87  -1.736   0.506  -2.985
  493    H    ASN  88           H        ASN  88  -7.695   2.358  -3.739
  494    HA   ASN  88           HA       ASN  88  -8.534   0.682  -1.564
  495    HB2  ASN  88           2HB      ASN  88  -8.642   3.142  -1.442
  496    HB3  ASN  88           3HB      ASN  88  -9.960   3.127  -2.630
  497   HD21  ASN  88          2HD2      ASN  88 -11.505   3.921  -1.128
  498   HD22  ASN  88          1HD2      ASN  88 -11.900   3.032   0.334
  499    H    ASN  89           H        ASN  89  -9.084  -1.261  -2.308
  500    HA   ASN  89           HA       ASN  89 -10.481  -2.931  -2.716
  501    HB2  ASN  89           2HB      ASN  89 -12.177  -1.474  -1.629
  502    HB3  ASN  89           3HB      ASN  89 -12.786  -1.063  -3.229
  503   HD21  ASN  89          1HD2      ASN  89 -12.086  -3.709  -0.920
  504   HD22  ASN  89          2HD2      ASN  89 -13.259  -4.833  -1.593
  505    H    ILE  90           H        ILE  90  -8.698  -2.730  -4.281
  506    HA   ILE  90           HA       ILE  90  -9.639  -2.780  -7.134
  507    HB   ILE  90           HB       ILE  90  -7.310  -2.323  -7.804
  508   HG12  ILE  90          2HG1      ILE  90  -6.390  -1.897  -4.989
  509   HG13  ILE  90          3HG1      ILE  90  -6.286  -3.482  -5.692
  510   HG21  ILE  90          1HG2      ILE  90  -7.235  -0.046  -7.216
  511   HG22  ILE  90          2HG2      ILE  90  -8.922  -0.512  -7.384
  512   HG23  ILE  90          3HG2      ILE  90  -8.237  -0.296  -5.758
  513   HD11  ILE  90          3HD1      ILE  90  -4.948  -2.808  -7.515
  514   HD12  ILE  90          1HD1      ILE  90  -5.049  -1.091  -7.039
  515   HD13  ILE  90          2HD1      ILE  90  -4.241  -2.278  -5.982
  516    H    GLU  91           H        GLU  91  -8.848  -4.524  -8.449
  517    HA   GLU  91           HA       GLU  91  -8.245  -6.955  -6.890
  518    HB2  GLU  91           2HB      GLU  91 -10.089  -6.881  -8.577
  519    HB3  GLU  91           3HB      GLU  91  -8.799  -6.804  -9.775
  520    HG2  GLU  91           2HG      GLU  91  -7.864  -8.940  -8.785
  521    HG3  GLU  91           3HG      GLU  91  -9.323  -9.030  -7.808
  522    H    PHE  92           H        PHE  92  -6.381  -7.180  -6.355
  523    HA   PHE  92           HA       PHE  92  -3.891  -6.410  -7.583
  524    HD1  PHE  92           HD1      PHE  92  -1.748  -8.064  -7.032
  525    HD2  PHE  92           HD2      PHE  92  -3.292  -7.152  -3.100
  526    HE1  PHE  92           HE1      PHE  92   0.523  -8.220  -6.093
  527    HE2  PHE  92           HE2      PHE  92  -1.006  -7.338  -2.172
  528    HZ   PHE  92           HZ       PHE  92   0.907  -7.747  -3.707
  529    HB2  PHE  92           2HB      PHE  92  -4.543  -6.498  -5.152
  530    HB3  PHE  92           3HB      PHE  92  -4.703  -8.139  -5.209
  531    H    ARG  93           H        ARG  93  -4.354  -7.555  -9.634
  532    HA   ARG  93           HA       ARG  93  -4.004  -9.145 -11.202
  533    HE   ARG  93           HE       ARG  93   1.977  -8.679 -10.029
  534    HB2  ARG  93           2HB      ARG  93  -2.136 -10.438  -9.177
  535    HB3  ARG  93           3HB      ARG  93  -2.167 -10.718 -10.913
  536    HG2  ARG  93           2HG      ARG  93  -1.576  -8.267 -11.239
  537    HG3  ARG  93           3HG      ARG  93  -1.273  -8.189  -9.488
  538    HD2  ARG  93           2HD      ARG  93   0.271 -10.159  -9.705
  539    HD3  ARG  93           3HD      ARG  93   0.036 -10.137 -11.455
  540   HH11  ARG  93          2HH1      ARG  93  -0.315  -7.737 -12.577
  541   HH12  ARG  93          1HH1      ARG  93   0.868  -6.562 -13.156
  542   HH21  ARG  93          2HH2      ARG  93   3.325  -7.396 -11.019
  543   HH22  ARG  93          1HH2      ARG  93   2.802  -6.484 -12.449
  544    H    GLY  94           H        GLY  94  -5.559 -10.159  -8.446
  545    HA2  GLY  94           2HA      GLY  94  -7.133 -12.263  -9.343
  546    HA3  GLY  94           3HA      GLY  94  -5.616 -13.015  -8.827
  547    H    SER  95           H        SER  95  -5.399 -10.671  -6.644
  548    HA   SER  95           HA       SER  95  -7.375 -11.742  -4.689
  549    HG   SER  95           HG       SER  95  -4.178 -12.191  -3.202
  550    HB2  SER  95           2HB      SER  95  -4.676 -10.330  -4.389
  551    HB3  SER  95           3HB      SER  95  -5.821 -10.590  -3.067
  552    H    VAL  96           H        VAL  96  -7.761  -9.612  -3.239
  553    HA   VAL  96           HA       VAL  96  -7.661  -7.150  -4.811
  554    HB   VAL  96           HB       VAL  96  -9.725  -7.062  -5.482
  555   HG11  VAL  96          1HG1      VAL  96 -10.130  -9.330  -5.354
  556   HG12  VAL  96          2HG1      VAL  96 -10.561  -9.228  -3.609
  557   HG13  VAL  96          3HG1      VAL  96 -11.578  -8.453  -4.867
  558   HG21  VAL  96          3HG2      VAL  96 -11.486  -6.222  -4.127
  559   HG22  VAL  96          1HG2      VAL  96 -10.636  -6.676  -2.638
  560   HG23  VAL  96          2HG2      VAL  96  -9.980  -5.420  -3.707
  561    H    ILE  97           H        ILE  97  -7.547  -5.321  -3.470
  562    HA   ILE  97           HA       ILE  97  -7.371  -5.727  -0.516
  563    HB   ILE  97           HB       ILE  97  -5.527  -3.933  -0.641
  564   HG12  ILE  97          2HG1      ILE  97  -5.128  -5.148  -3.400
  565   HG13  ILE  97          3HG1      ILE  97  -5.774  -3.532  -3.116
  566   HG21  ILE  97          1HG2      ILE  97  -5.230  -6.220   0.200
  567   HG22  ILE  97          2HG2      ILE  97  -4.865  -6.785  -1.433
  568   HG23  ILE  97          3HG2      ILE  97  -3.791  -5.616  -0.608
  569   HD11  ILE  97          3HD1      ILE  97  -3.665  -2.886  -1.973
  570   HD12  ILE  97          1HD1      ILE  97  -2.971  -4.473  -2.410
  571   HD13  ILE  97          2HD1      ILE  97  -3.451  -3.334  -3.678
  572    H    THR  98           H        THR  98  -8.043  -4.111   0.714
  573    HA   THR  98           HA       THR  98  -9.240  -1.611  -0.427
  574    HB   THR  98           HB       THR  98  -9.643  -2.928   2.246
  575    HG1  THR  98           1HG      THR  98 -11.610  -3.643   1.457
  576   HG21  THR  98          1HG2      THR  98 -10.162  -0.499   2.259
  577   HG22  THR  98          2HG2      THR  98 -11.334  -0.781   0.944
  578   HG23  THR  98          3HG2      THR  98 -11.582  -1.509   2.538
  579    H    VAL  99           H        VAL  99  -8.490   0.364   0.629
  580    HA   VAL  99           HA       VAL  99  -6.168   0.003   2.427
  581    HB   VAL  99           HB       VAL  99  -4.581   1.154   1.164
  582   HG11  VAL  99          1HG1      VAL  99  -4.928  -1.236   0.528
  583   HG12  VAL  99          2HG1      VAL  99  -5.935  -0.723  -0.815
  584   HG13  VAL  99          3HG1      VAL  99  -4.230  -0.255  -0.767
  585   HG21  VAL  99          3HG2      VAL  99  -5.869   2.868   0.119
  586   HG22  VAL  99          1HG2      VAL  99  -5.069   1.939  -1.138
  587   HG23  VAL  99          2HG2      VAL  99  -6.798   1.668  -0.800
  588    H    GLU 100           H        GLU 100  -5.476   1.709   3.538
  589    HA   GLU 100           HA       GLU 100  -6.888   4.315   3.545
  590    HB2  GLU 100           2HB      GLU 100  -7.972   3.871   5.725
  591    HB3  GLU 100           3HB      GLU 100  -8.684   2.860   4.485
  592    HG2  GLU 100           2HG      GLU 100  -6.600   1.950   6.537
  593    HG3  GLU 100           3HG      GLU 100  -8.329   1.872   6.791
  594    H    ARG 101           H        ARG 101  -6.292   5.663   5.262
  595    HA   ARG 101           HA       ARG 101  -3.592   5.482   6.266
  596    HE   ARG 101           HE       ARG 101  -5.762   9.823   9.148
  597    HB2  ARG 101           2HB      ARG 101  -4.253   7.367   7.612
  598    HB3  ARG 101           3HB      ARG 101  -4.813   7.588   5.961
  599    HG2  ARG 101           2HG      ARG 101  -7.098   6.838   6.676
  600    HG3  ARG 101           3HG      ARG 101  -6.518   6.711   8.335
  601    HD2  ARG 101           2HD      ARG 101  -6.102   9.335   6.928
  602    HD3  ARG 101           3HD      ARG 101  -7.758   8.902   7.273
  603   HH11  ARG 101          1HH2      ARG 101  -8.575   7.645   9.200
  604   HH12  ARG 101          2HH2      ARG 101  -8.554   7.676  10.957
  605   HH21  ARG 101          2HH1      ARG 101  -6.017   9.872  11.270
  606   HH22  ARG 101          1HH1      ARG 101  -7.240   8.840  12.049
  607    H    ASP 102           H        ASP 102  -2.804   4.595   8.126
  608    HA   ASP 102           HA       ASP 102  -4.465   2.604   9.507
  609    HB2  ASP 102           2HB      ASP 102  -2.115   2.221   8.657
  610    HB3  ASP 102           3HB      ASP 102  -1.530   3.235   9.940
  611    H    ASP 103           H        ASP 103  -5.689   4.655  10.017
  612    HA   ASP 103           HA       ASP 103  -6.414   6.342  11.144
  613    HB2  ASP 103           2HB      ASP 103  -6.977   4.358  12.576
  614    HB3  ASP 103           3HB      ASP 103  -5.728   4.909  13.696
  615    H    ASN 104           H        ASN 104  -3.958   7.025  10.263
  616    HA   ASN 104           HA       ASN 104  -3.331   9.217  12.195
  617    HB2  ASN 104           2HB      ASN 104  -1.123   9.465  10.982
  618    HB3  ASN 104           3HB      ASN 104  -1.293   8.116  12.099
  619   HD21  ASN 104          1HD2      ASN 104  -2.371   8.293   8.690
  620   HD22  ASN 104          2HD2      ASN 104  -1.466   6.820   8.240
  Start of MODEL    5
    1    HA   PRO  25           HA       PRO  25   9.980  14.930   6.952
    2    HB2  PRO  25           2HB      PRO  25  10.415  15.500   4.010
    3    HB3  PRO  25           3HB      PRO  25  11.450  15.893   5.420
    4    HG2  PRO  25           2HG      PRO  25  11.531  13.505   3.812
    5    HG3  PRO  25           3HG      PRO  25  12.394  13.753   5.351
    6    HD2  PRO  25           2HD      PRO  25  10.375  11.864   5.035
    7    HD3  PRO  25           3HD      PRO  25  10.835  12.613   6.574
    8    H    ALA  26           H        ALA  26   8.114  15.673   3.918
    9    HA   ALA  26           HA       ALA  26   6.674  17.869   5.090
   10    HB1  ALA  26           1HB      ALA  26   6.027  15.967   2.802
   11    HB2  ALA  26           2HB      ALA  26   5.243  17.539   3.094
   12    HB3  ALA  26           3HB      ALA  26   6.972  17.466   2.675
   13    H    LYS  27           H        LYS  27   6.198  14.387   5.044
   14    HA   LYS  27           HA       LYS  27   4.446  14.451   7.420
   15    HB2  LYS  27           2HB      LYS  27   3.310  14.167   4.836
   16    HB3  LYS  27           3HB      LYS  27   3.497  12.531   5.352
   17    HG2  LYS  27           2HG      LYS  27   2.106  14.638   7.071
   18    HG3  LYS  27           3HG      LYS  27   1.320  13.750   5.786
   19    HD2  LYS  27           2HD      LYS  27   2.316  11.635   7.110
   20    HD3  LYS  27           3HD      LYS  27   2.198  12.765   8.467
   21    HE2  LYS  27           2HE      LYS  27  -0.007  11.732   6.629
   22    HE3  LYS  27           3HE      LYS  27   0.217  11.387   8.341
   23    HZ1  LYS  27           3HZ      LYS  27  -1.474  12.966   8.168
   24    HZ2  LYS  27           1HZ      LYS  27  -0.202  13.822   8.728
   25    HZ3  LYS  27           2HZ      LYS  27  -0.658  13.956   7.140
   26    H    ARG  28           H        ARG  28   4.292  12.332   8.390
   27    HA   ARG  28           HA       ARG  28   5.494  10.072   7.042
   28    HE   ARG  28           HE       ARG  28   9.092   7.685   7.695
   29    HB2  ARG  28           2HB      ARG  28   6.807  11.313   9.303
   30    HB3  ARG  28           3HB      ARG  28   6.100   9.784   9.878
   31    HG2  ARG  28           2HG      ARG  28   7.052   8.605   7.924
   32    HG3  ARG  28           3HG      ARG  28   7.695  10.160   7.334
   33    HD2  ARG  28           2HD      ARG  28   9.297  10.264   9.083
   34    HD3  ARG  28           3HD      ARG  28   8.459   9.019  10.039
   35   HH11  ARG  28          1HH2      ARG  28  11.104   9.201  10.148
   36   HH12  ARG  28          2HH2      ARG  28  12.413   8.095   9.822
   37   HH21  ARG  28          2HH1      ARG  28  10.625   6.393   7.381
   38   HH22  ARG  28          1HH1      ARG  28  12.177   6.514   8.223
   39    H    TYR  29           H        TYR  29   4.190   8.526   6.962
   40    HA   TYR  29           HA       TYR  29   1.942   8.128   8.875
   41    HD1  TYR  29           HD2      TYR  29   0.808   6.047   5.631
   42    HD2  TYR  29           HD1      TYR  29   2.544   9.918   4.741
   43    HE1  TYR  29           HE2      TYR  29   1.530   5.194   3.422
   44    HE2  TYR  29           HE1      TYR  29   2.916   9.162   2.480
   45    HH   TYR  29           HH       TYR  29   2.179   5.768   1.392
   46    HB2  TYR  29           2HB      TYR  29   0.371   8.002   7.060
   47    HB3  TYR  29           3HB      TYR  29   1.193   9.520   6.829
   48    H    ARG  30           H        ARG  30   0.847   6.054   8.366
   49    HA   ARG  30           HA       ARG  30   2.379   4.208   6.659
   50    HE   ARG  30           HE       ARG  30   0.582   0.882   9.846
   51    HB2  ARG  30           2HB      ARG  30   3.178   4.160   9.099
   52    HB3  ARG  30           3HB      ARG  30   1.648   3.436   9.482
   53    HG2  ARG  30           2HG      ARG  30   3.527   2.293   7.359
   54    HG3  ARG  30           3HG      ARG  30   3.833   2.015   9.053
   55    HD2  ARG  30           2HD      ARG  30   1.250   1.262   7.646
   56    HD3  ARG  30           3HD      ARG  30   2.603   0.163   7.907
   57   HH11  ARG  30          1HH2      ARG  30   3.995  -0.001   9.799
   58   HH12  ARG  30          2HH2      ARG  30   3.948  -0.476  11.476
   59   HH21  ARG  30          2HH1      ARG  30   0.595   0.218  11.852
   60   HH22  ARG  30          1HH1      ARG  30   2.067  -0.345  12.636
   61    H    ILE  31           H        ILE  31   0.971   3.229   5.320
   62    HA   ILE  31           HA       ILE  31  -1.953   3.113   6.005
   63    HB   ILE  31           HB       ILE  31  -2.392   2.623   3.631
   64   HG12  ILE  31          2HG1      ILE  31   0.519   3.225   3.119
   65   HG13  ILE  31          3HG1      ILE  31  -0.216   1.611   3.084
   66   HG21  ILE  31          1HG2      ILE  31  -2.038   4.860   2.719
   67   HG22  ILE  31          2HG2      ILE  31  -2.598   4.889   4.377
   68   HG23  ILE  31          3HG2      ILE  31  -0.887   5.224   4.024
   69   HD11  ILE  31          3HD1      ILE  31  -0.742   3.887   1.171
   70   HD12  ILE  31          1HD1      ILE  31  -0.052   2.292   0.839
   71   HD13  ILE  31          2HD1      ILE  31  -1.769   2.430   1.275
   72    H    THR  32           H        THR  32  -3.065   1.231   5.367
   73    HA   THR  32           HA       THR  32  -1.528  -1.344   5.390
   74    HB   THR  32           HB       THR  32  -4.183  -0.622   6.683
   75    HG1  THR  32           1HG      THR  32  -3.031  -0.852   8.575
   76   HG21  THR  32          1HG2      THR  32  -2.674  -3.282   6.606
   77   HG22  THR  32          2HG2      THR  32  -3.941  -2.908   7.793
   78   HG23  THR  32          3HG2      THR  32  -4.337  -2.934   6.084
   79    H    MET  33           H        MET  33  -2.178  -2.870   4.030
   80    HA   MET  33           HA       MET  33  -4.484  -2.373   2.280
   81    HB2  MET  33           2HB      MET  33  -1.735  -3.320   1.301
   82    HB3  MET  33           3HB      MET  33  -3.108  -2.852   0.323
   83    HG2  MET  33           2HG      MET  33  -2.763  -0.520   1.632
   84    HG3  MET  33           3HG      MET  33  -1.159  -1.183   1.875
   85    HE1  MET  33           3HE      MET  33  -0.106  -2.428  -0.515
   86    HE2  MET  33           1HE      MET  33  -1.627  -2.636  -1.401
   87    HE3  MET  33           2HE      MET  33  -0.320  -1.650  -2.103
   88    H    LYS  34           H        LYS  34  -5.754  -4.090   2.065
   89    HA   LYS  34           HA       LYS  34  -4.845  -6.906   2.409
   90    HB2  LYS  34           2HB      LYS  34  -7.059  -6.714   4.217
   91    HB3  LYS  34           3HB      LYS  34  -5.568  -7.123   4.495
   92    HG2  LYS  34           2HG      LYS  34  -6.226  -5.409   6.070
   93    HG3  LYS  34           3HG      LYS  34  -5.256  -4.458   4.923
   94    HD2  LYS  34           2HD      LYS  34  -7.454  -4.116   3.599
   95    HD3  LYS  34           3HD      LYS  34  -8.303  -4.869   4.904
   96    HE2  LYS  34           2HE      LYS  34  -6.606  -2.328   5.132
   97    HE3  LYS  34           3HE      LYS  34  -8.360  -2.369   4.954
   98    HZ1  LYS  34           3HZ      LYS  34  -7.840  -2.119   7.246
   99    HZ2  LYS  34           1HZ      LYS  34  -8.463  -3.614   7.065
  100    HZ3  LYS  34           2HZ      LYS  34  -6.847  -3.433   7.278
  101    H    ASN  35           H        ASN  35  -6.588  -8.412   2.383
  102    HA   ASN  35           HA       ASN  35  -9.078  -7.662   2.787
  103    HB2  ASN  35           2HB      ASN  35  -9.571  -6.561   0.942
  104    HB3  ASN  35           3HB      ASN  35  -8.493  -7.395  -0.092
  105   HD21  ASN  35          2HD2      ASN  35  -9.391  -8.575  -1.651
  106   HD22  ASN  35          1HD2      ASN  35 -11.046  -9.190  -1.648
  107    H    LEU  36           H        LEU  36 -10.747  -9.590   2.406
  108    HA   LEU  36           HA       LEU  36  -9.623 -11.591   3.989
  109    HG   LEU  36           HG       LEU  36 -12.236  -9.772   3.866
  110    HB2  LEU  36           2HB      LEU  36 -12.198 -11.759   2.389
  111    HB3  LEU  36           3HB      LEU  36 -11.756 -12.784   3.751
  112   HD11  LEU  36          1HD1      LEU  36 -14.227 -10.378   5.160
  113   HD12  LEU  36          2HD1      LEU  36 -14.278 -11.116   3.552
  114   HD13  LEU  36          3HD1      LEU  36 -13.854 -12.106   4.961
  115   HD21  LEU  36          3HD2      LEU  36 -12.152 -10.074   6.338
  116   HD22  LEU  36          1HD2      LEU  36 -11.589 -11.744   6.102
  117   HD23  LEU  36          2HD2      LEU  36 -10.589 -10.368   5.578
  118    HA   PRO  37           HA       PRO  37  -9.070 -14.675   0.343
  119    HB2  PRO  37           2HB      PRO  37  -8.582 -12.827  -1.962
  120    HB3  PRO  37           3HB      PRO  37  -9.458 -14.387  -1.928
  121    HG2  PRO  37           2HG      PRO  37 -10.806 -12.035  -2.101
  122    HG3  PRO  37           3HG      PRO  37 -11.415 -13.350  -1.037
  123    HD2  PRO  37           2HD      PRO  37  -9.681 -10.984  -0.268
  124    HD3  PRO  37           3HD      PRO  37 -11.230 -11.510   0.460
  125    H    GLU  38           H        GLU  38  -7.259 -12.028   1.393
  126    HA   GLU  38           HA       GLU  38  -4.729 -13.003   0.178
  127    HB2  GLU  38           2HB      GLU  38  -6.008 -10.328   0.143
  128    HB3  GLU  38           3HB      GLU  38  -4.367 -10.257   0.686
  129    HG2  GLU  38           2HG      GLU  38  -5.409 -11.196  -1.963
  130    HG3  GLU  38           3HG      GLU  38  -4.298  -9.862  -1.606
  131    H    GLY  39           H        GLY  39  -2.901 -11.837   1.060
  132    HA2  GLY  39           2HA      GLY  39  -2.568 -11.322   3.896
  133    HA3  GLY  39           3HA      GLY  39  -1.841 -12.856   3.379
  134    H    CYS  40           H        CYS  40  -1.244 -11.881   0.666
  135    HA   CYS  40           HA       CYS  40   0.370 -11.141  -0.574
  136    HG   CYS  40           HG       CYS  40  -2.056  -9.943  -0.586
  137    HB2  CYS  40           2HB      CYS  40   0.552  -8.511   0.816
  138    HB3  CYS  40           3HB      CYS  40   0.510  -8.919  -0.891
  139    H    SER  41           H        SER  41   2.519  -9.750  -0.637
  140    HA   SER  41           HA       SER  41   4.395 -10.364   1.531
  141    HG   SER  41           HG       SER  41   4.037 -12.448  -1.634
  142    HB2  SER  41           2HB      SER  41   5.443 -11.091  -1.118
  143    HB3  SER  41           3HB      SER  41   5.703 -11.863   0.451
  144    H    TRP  42           H        TRP  42   6.414  -8.973   1.269
  145    HA   TRP  42           HA       TRP  42   5.625  -6.502   0.161
  146    HD1  TRP  42           HD1      TRP  42  10.156  -5.340   0.961
  147    HE1  TRP  42           HE1      TRP  42  10.250  -2.976  -0.014
  148    HE3  TRP  42           HE3      TRP  42   5.143  -4.592   0.009
  149    HZ2  TRP  42           HZ2      TRP  42   8.443  -1.145  -1.360
  150    HZ3  TRP  42           HZ3      TRP  42   4.417  -2.655  -1.273
  151    HH2  TRP  42           HH2      TRP  42   5.992  -0.933  -1.970
  152    HB2  TRP  42           2HB      TRP  42   7.243  -6.589   1.972
  153    HB3  TRP  42           3HB      TRP  42   8.442  -7.290   0.914
  154    H    GLN  43           H        GLN  43   7.786  -8.945  -1.271
  155    HA   GLN  43           HA       GLN  43   8.356  -7.465  -3.551
  156    HB2  GLN  43           2HB      GLN  43   8.577  -9.710  -4.739
  157    HB3  GLN  43           3HB      GLN  43   9.504  -9.585  -3.242
  158    HG2  GLN  43           2HG      GLN  43   8.147 -11.091  -2.092
  159    HG3  GLN  43           3HG      GLN  43   6.718 -10.702  -3.021
  160   HE21  GLN  43          1HE2      GLN  43   5.992 -12.547  -3.974
  161   HE22  GLN  43          2HE2      GLN  43   7.044 -13.662  -4.855
  162    H    ASP  44           H        ASP  44   5.332  -8.839  -2.789
  163    HA   ASP  44           HA       ASP  44   4.354  -8.905  -5.579
  164    HB2  ASP  44           2HB      ASP  44   3.313  -9.673  -2.818
  165    HB3  ASP  44           3HB      ASP  44   2.316  -9.589  -4.216
  166    H    LEU  45           H        LEU  45   3.808  -7.160  -2.508
  167    HA   LEU  45           HA       LEU  45   1.872  -5.338  -3.679
  168    HG   LEU  45           HG       LEU  45   1.422  -6.947  -1.236
  169    HB2  LEU  45           2HB      LEU  45   3.445  -5.573  -1.089
  170    HB3  LEU  45           3HB      LEU  45   2.524  -4.131  -1.442
  171   HD11  LEU  45          1HD1      LEU  45   1.218  -4.388   0.436
  172   HD12  LEU  45          2HD1      LEU  45   0.372  -5.927   0.812
  173   HD13  LEU  45          3HD1      LEU  45   2.151  -5.832   0.839
  174   HD21  LEU  45          3HD2      LEU  45  -0.839  -5.744  -1.242
  175   HD22  LEU  45          1HD2      LEU  45   0.024  -4.311  -1.851
  176   HD23  LEU  45          2HD2      LEU  45  -0.025  -5.782  -2.811
  177    H    LYS  46           H        LYS  46   5.358  -5.280  -3.304
  178    HA   LYS  46           HA       LYS  46   5.808  -2.472  -4.115
  179    HB2  LYS  46           2HB      LYS  46   7.423  -4.028  -2.919
  180    HB3  LYS  46           3HB      LYS  46   7.476  -5.034  -4.364
  181    HG2  LYS  46           2HG      LYS  46   8.240  -2.105  -4.394
  182    HG3  LYS  46           3HG      LYS  46   9.375  -3.341  -3.866
  183    HD2  LYS  46           2HD      LYS  46   8.053  -3.362  -6.615
  184    HD3  LYS  46           3HD      LYS  46   9.594  -2.633  -6.197
  185    HE2  LYS  46           2HE      LYS  46  10.568  -4.793  -5.728
  186    HE3  LYS  46           3HE      LYS  46   8.989  -5.571  -5.605
  187    HZ1  LYS  46           3HZ      LYS  46  10.045  -4.500  -8.163
  188    HZ2  LYS  46           1HZ      LYS  46  10.175  -6.058  -7.701
  189    HZ3  LYS  46           2HZ      LYS  46   8.705  -5.442  -7.969
  190    H    ASP  47           H        ASP  47   5.699  -5.654  -5.772
  191    HA   ASP  47           HA       ASP  47   5.785  -4.491  -8.366
  192    HB2  ASP  47           2HB      ASP  47   5.202  -7.156  -7.242
  193    HB3  ASP  47           3HB      ASP  47   4.125  -6.773  -8.533
  194    H    LEU  48           H        LEU  48   2.774  -5.350  -6.569
  195    HA   LEU  48           HA       LEU  48   1.149  -4.065  -8.455
  196    HG   LEU  48           HG       LEU  48  -1.049  -3.403  -7.996
  197    HB2  LEU  48           2HB      LEU  48   0.170  -5.406  -6.773
  198    HB3  LEU  48           3HB      LEU  48   0.543  -4.233  -5.512
  199   HD11  LEU  48          1HD1      LEU  48  -3.146  -3.769  -6.611
  200   HD12  LEU  48          2HD1      LEU  48  -2.348  -5.204  -7.232
  201   HD13  LEU  48          3HD1      LEU  48  -2.163  -4.727  -5.497
  202   HD21  LEU  48          3HD2      LEU  48  -0.500  -1.548  -6.726
  203   HD22  LEU  48          1HD2      LEU  48  -2.140  -1.910  -6.325
  204   HD23  LEU  48          2HD2      LEU  48  -0.873  -2.396  -5.174
  205    H    ALA  49           H        ALA  49   2.634  -2.494  -5.562
  206    HA   ALA  49           HA       ALA  49   1.562   0.027  -6.015
  207    HB1  ALA  49           1HB      ALA  49   2.669  -0.454  -3.997
  208    HB2  ALA  49           2HB      ALA  49   4.169  -0.980  -4.825
  209    HB3  ALA  49           3HB      ALA  49   3.734   0.738  -4.776
  210    H    ARG  50           H        ARG  50   4.366  -1.441  -7.614
  211    HA   ARG  50           HA       ARG  50   4.819   1.001  -9.229
  212    HE   ARG  50           HE       ARG  50   9.018   0.998  -6.467
  213    HB2  ARG  50           2HB      ARG  50   6.346  -1.594  -8.865
  214    HB3  ARG  50           3HB      ARG  50   6.785  -0.333 -10.039
  215    HG2  ARG  50           2HG      ARG  50   7.776   0.841  -8.427
  216    HG3  ARG  50           3HG      ARG  50   6.216   1.069  -7.628
  217    HD2  ARG  50           2HD      ARG  50   6.452  -0.483  -6.065
  218    HD3  ARG  50           3HD      ARG  50   7.817  -1.262  -6.858
  219   HH11  ARG  50          1HH1      ARG  50   6.564   0.007  -4.145
  220   HH12  ARG  50          2HH1      ARG  50   7.182   1.100  -2.933
  221   HH21  ARG  50          1HH2      ARG  50   9.664   2.323  -4.987
  222   HH22  ARG  50          2HH2      ARG  50   8.944   2.370  -3.384
  223    H    GLU  51           H        GLU  51   2.939  -1.771  -9.556
  224    HA   GLU  51           HA       GLU  51   2.279  -1.497 -12.377
  225    HB2  GLU  51           2HB      GLU  51   0.380  -2.327 -10.172
  226    HB3  GLU  51           3HB      GLU  51   0.038  -2.371 -11.799
  227    HG2  GLU  51           2HG      GLU  51   2.371  -3.879 -10.600
  228    HG3  GLU  51           3HG      GLU  51   0.819  -4.543 -10.473
  229    H    ASN  52           H        ASN  52   1.434   0.046  -9.452
  230    HA   ASN  52           HA       ASN  52  -0.737   1.709 -10.562
  231    HB2  ASN  52           2HB      ASN  52   0.072   0.370  -7.986
  232    HB3  ASN  52           3HB      ASN  52  -0.822   1.754  -7.809
  233   HD21  ASN  52          2HD2      ASN  52  -0.850  -1.484  -8.985
  234   HD22  ASN  52          1HD2      ASN  52  -2.599  -1.597  -9.173
  235    H    SER  53           H        SER  53   2.502   2.214  -9.687
  236    HA   SER  53           HA       SER  53   3.813   4.047  -9.647
  237    HG   SER  53           HG       SER  53   2.118   4.029 -12.009
  238    HB2  SER  53           2HB      SER  53   1.419   5.690 -10.530
  239    HB3  SER  53           3HB      SER  53   3.108   6.223 -10.481
  240    H    LEU  54           H        LEU  54   2.299   3.087  -7.354
  241    HA   LEU  54           HA       LEU  54   1.848   5.148  -5.389
  242    HG   LEU  54           HG       LEU  54   0.574   1.839  -4.622
  243    HB2  LEU  54           2HB      LEU  54   2.468   2.252  -5.521
  244    HB3  LEU  54           3HB      LEU  54   3.083   2.938  -4.073
  245   HD11  LEU  54          1HD1      LEU  54   1.295   3.512  -2.196
  246   HD12  LEU  54          2HD1      LEU  54   0.088   2.219  -2.285
  247   HD13  LEU  54          3HD1      LEU  54   1.795   1.825  -2.445
  248   HD21  LEU  54          3HD2      LEU  54  -1.085   3.471  -4.127
  249   HD22  LEU  54          1HD2      LEU  54   0.112   4.776  -4.032
  250   HD23  LEU  54          2HD2      LEU  54  -0.231   3.965  -5.581
  251    H    GLU  55           H        GLU  55   4.806   3.353  -6.331
  252    HA   GLU  55           HA       GLU  55   6.792   3.317  -5.278
  253    HB2  GLU  55           2HB      GLU  55   7.042   4.439  -7.394
  254    HB3  GLU  55           3HB      GLU  55   6.841   6.018  -6.608
  255    HG2  GLU  55           2HG      GLU  55   8.887   6.000  -5.831
  256    HG3  GLU  55           3HG      GLU  55   8.791   4.453  -5.093
  257    H    THR  56           H        THR  56   5.681   3.300  -3.265
  258    HA   THR  56           HA       THR  56   6.045   5.373  -1.261
  259    HB   THR  56           HB       THR  56   5.556   3.480   0.250
  260    HG1  THR  56           1HG      THR  56   5.354   1.447  -0.604
  261   HG21  THR  56          1HG2      THR  56   3.667   3.847  -2.046
  262   HG22  THR  56          2HG2      THR  56   3.320   2.754  -0.689
  263   HG23  THR  56          3HG2      THR  56   3.590   4.468  -0.388
  264    H    THR  57           H        THR  57   7.477   4.637   0.766
  265    HA   THR  57           HA       THR  57  10.245   4.265  -0.079
  266    HB   THR  57           HB       THR  57   9.148   3.965   2.740
  267    HG1  THR  57           1HG      THR  57   9.024   6.011   2.966
  268   HG21  THR  57          1HG2      THR  57  11.522   3.429   2.523
  269   HG22  THR  57          2HG2      THR  57  11.828   4.992   1.725
  270   HG23  THR  57          3HG2      THR  57  11.297   4.930   3.428
  271    H    PHE  58           H        PHE  58   7.872   2.375   1.792
  272    HA   PHE  58           HA       PHE  58   9.065  -0.226   1.281
  273    HD1  PHE  58           HD1      PHE  58   9.311   2.805   4.625
  274    HD2  PHE  58           HD2      PHE  58   9.184  -1.487   5.039
  275    HE1  PHE  58           HE1      PHE  58   8.624   3.043   6.999
  276    HE2  PHE  58           HE2      PHE  58   8.426  -1.241   7.381
  277    HZ   PHE  58           HZ       PHE  58   8.148   1.027   8.369
  278    HB2  PHE  58           2HB      PHE  58  10.275  -0.454   3.160
  279    HB3  PHE  58           3HB      PHE  58  10.488   1.247   3.015
  280    H    SER  59           H        SER  59   8.052  -1.888   2.801
  281    HA   SER  59           HA       SER  59   5.625  -0.990   4.213
  282    HG   SER  59           HG       SER  59   3.652  -2.431   3.960
  283    HB2  SER  59           2HB      SER  59   4.695  -1.522   2.168
  284    HB3  SER  59           3HB      SER  59   5.624  -3.012   2.006
  285    H    SER  60           H        SER  60   5.009  -2.320   5.872
  286    HA   SER  60           HA       SER  60   6.682  -4.649   6.715
  287    HG   SER  60           HG       SER  60   4.817  -5.504   8.886
  288    HB2  SER  60           2HB      SER  60   5.776  -2.876   8.343
  289    HB3  SER  60           3HB      SER  60   4.164  -3.548   8.016
  290    H    VAL  61           H        VAL  61   6.120  -6.533   5.652
  291    HA   VAL  61           HA       VAL  61   3.239  -7.160   5.336
  292    HB   VAL  61           HB       VAL  61   5.185  -8.000   3.157
  293   HG11  VAL  61          1HG1      VAL  61   2.180  -7.466   3.089
  294   HG12  VAL  61          2HG1      VAL  61   3.134  -7.992   1.740
  295   HG13  VAL  61          3HG1      VAL  61   2.913  -9.075   3.105
  296   HG21  VAL  61          3HG2      VAL  61   5.385  -5.583   3.110
  297   HG22  VAL  61          1HG2      VAL  61   4.351  -6.086   1.772
  298   HG23  VAL  61          2HG2      VAL  61   3.618  -5.426   3.223
  299    H    ASN  62           H        ASN  62   2.854  -9.465   4.949
  300    HA   ASN  62           HA       ASN  62   3.060 -11.694   5.251
  301    HB2  ASN  62           2HB      ASN  62   5.973 -11.261   5.998
  302    HB3  ASN  62           3HB      ASN  62   5.200 -12.801   5.693
  303   HD21  ASN  62          1HD2      ASN  62   6.786 -10.054   4.274
  304   HD22  ASN  62          2HD2      ASN  62   6.828 -10.776   2.680
  305    H    THR  63           H        THR  63   3.838  -9.457   7.744
  306    HA   THR  63           HA       THR  63   2.393 -10.930   9.818
  307    HB   THR  63           HB       THR  63   5.386 -10.369   9.996
  308    HG1  THR  63           1HG      THR  63   4.294 -12.460   9.320
  309   HG21  THR  63          1HG2      THR  63   3.495 -11.003  12.303
  310   HG22  THR  63          2HG2      THR  63   5.267 -11.119  12.369
  311   HG23  THR  63          3HG2      THR  63   4.509  -9.550  12.120
  312    H    ARG  64           H        ARG  64   1.511  -9.518  11.200
  313    HA   ARG  64           HA       ARG  64   1.927  -7.339  12.510
  314    HE   ARG  64           HE       ARG  64  -1.371  -5.039   9.328
  315    HB2  ARG  64           2HB      ARG  64   1.347  -5.269  11.342
  316    HB3  ARG  64           3HB      ARG  64   2.840  -5.929  10.746
  317    HG2  ARG  64           2HG      ARG  64   1.970  -6.370   8.643
  318    HG3  ARG  64           3HG      ARG  64   0.375  -6.755   9.258
  319    HD2  ARG  64           2HD      ARG  64   1.438  -3.929   9.157
  320    HD3  ARG  64           3HD      ARG  64   0.603  -4.703   7.811
  321   HH11  ARG  64          1HH1      ARG  64   0.715  -2.280   9.888
  322   HH12  ARG  64          2HH1      ARG  64  -0.624  -1.323  10.501
  323   HH21  ARG  64          2HH2      ARG  64  -2.935  -3.811  10.199
  324   HH22  ARG  64          1HH2      ARG  64  -2.617  -2.099  10.549
  325    H    ASP  65           H        ASP  65  -0.360  -9.074  10.697
  326    HA   ASP  65           HA       ASP  65  -2.669  -7.772  12.091
  327    HB2  ASP  65           2HB      ASP  65  -1.803  -7.109   9.556
  328    HB3  ASP  65           3HB      ASP  65  -2.871  -8.430   9.206
  329    H    PHE  66           H        PHE  66  -4.672  -8.973  10.608
  330    HA   PHE  66           HA       PHE  66  -5.393 -11.274  11.892
  331    HD1  PHE  66           HD1      PHE  66  -4.694  -9.625   8.241
  332    HD2  PHE  66           HD2      PHE  66  -8.277 -11.984   8.609
  333    HE1  PHE  66           HE1      PHE  66  -4.643 -10.082   5.802
  334    HE2  PHE  66           HE2      PHE  66  -8.302 -12.321   6.154
  335    HZ   PHE  66           HZ       PHE  66  -6.480 -11.382   4.740
  336    HB2  PHE  66           2HB      PHE  66  -7.246 -11.218  10.553
  337    HB3  PHE  66           3HB      PHE  66  -6.673  -9.578  10.353
  338    H    ASP  67           H        ASP  67  -3.329 -11.199   9.104
  339    HA   ASP  67           HA       ASP  67  -2.626 -14.032   9.291
  340    HB2  ASP  67           2HB      ASP  67  -4.536 -14.203   7.756
  341    HB3  ASP  67           3HB      ASP  67  -3.909 -12.886   6.766
  342    H    GLY  68           H        GLY  68  -2.443 -11.123   7.198
  343    HA2  GLY  68           2HA      GLY  68   0.305 -10.630   7.988
  344    HA3  GLY  68           3HA      GLY  68   0.150 -11.086   6.272
  345    H    THR  69           H        THR  69  -1.604  -9.761   5.083
  346    HA   THR  69           HA       THR  69  -2.203  -7.747   4.156
  347    HB   THR  69           HB       THR  69  -2.820  -5.847   5.303
  348    HG1  THR  69           1HG      THR  69  -1.206  -6.828   7.376
  349   HG21  THR  69          1HG2      THR  69  -3.358  -8.083   7.259
  350   HG22  THR  69          2HG2      THR  69  -4.337  -6.625   7.000
  351   HG23  THR  69          3HG2      THR  69  -4.191  -7.900   5.754
  352    H    GLY  70           H        GLY  70  -1.152  -5.505   3.647
  353    HA2  GLY  70           2HA      GLY  70   1.741  -5.432   4.431
  354    HA3  GLY  70           3HA      GLY  70   1.299  -5.145   2.766
  355    H    ALA  71           H        ALA  71   2.355  -3.595   5.219
  356    HA   ALA  71           HA       ALA  71   0.527  -1.278   4.931
  357    HB1  ALA  71           1HB      ALA  71   0.227  -2.616   6.989
  358    HB2  ALA  71           2HB      ALA  71   1.912  -2.255   7.458
  359    HB3  ALA  71           3HB      ALA  71   0.681  -0.967   7.335
  360    H    LEU  72           H        LEU  72   1.391   0.315   3.946
  361    HA   LEU  72           HA       LEU  72   4.253   0.386   3.238
  362    HG   LEU  72           HG       LEU  72   2.027   0.745   0.199
  363    HB2  LEU  72           2HB      LEU  72   1.845   1.809   2.228
  364    HB3  LEU  72           3HB      LEU  72   3.395   2.095   1.655
  365   HD11  LEU  72          1HD1      LEU  72   3.947   0.291  -0.690
  366   HD12  LEU  72          2HD1      LEU  72   4.789   0.343   0.890
  367   HD13  LEU  72          3HD1      LEU  72   4.052  -1.147   0.287
  368   HD21  LEU  72          3HD2      LEU  72   1.665  -1.595   0.473
  369   HD22  LEU  72          1HD2      LEU  72   2.396  -1.578   2.078
  370   HD23  LEU  72          2HD2      LEU  72   0.888  -0.700   1.800
  371    H    GLU  73           H        GLU  73   5.377   2.436   3.223
  372    HA   GLU  73           HA       GLU  73   4.245   4.718   4.886
  373    HB2  GLU  73           2HB      GLU  73   5.822   3.378   6.178
  374    HB3  GLU  73           3HB      GLU  73   7.053   3.592   4.941
  375    HG2  GLU  73           2HG      GLU  73   5.991   6.161   5.989
  376    HG3  GLU  73           3HG      GLU  73   6.673   5.131   7.236
  377    H    PHE  74           H        PHE  74   4.994   6.880   4.326
  378    HA   PHE  74           HA       PHE  74   7.129   7.154   2.410
  379    HD1  PHE  74           HD2      PHE  74   7.253   6.536   0.122
  380    HD2  PHE  74           HD1      PHE  74   5.687  10.511   0.337
  381    HE1  PHE  74           HE2      PHE  74   8.933   7.270  -1.555
  382    HE2  PHE  74           HE1      PHE  74   7.398  11.287  -1.263
  383    HZ   PHE  74           HZ       PHE  74   9.022   9.666  -2.230
  384    HB2  PHE  74           2HB      PHE  74   4.724   7.195   1.109
  385    HB3  PHE  74           3HB      PHE  74   4.769   8.829   1.681
  386    HA   PRO  75           HA       PRO  75   8.095  11.075   4.471
  387    HB2  PRO  75           2HB      PRO  75   8.745  11.621   1.540
  388    HB3  PRO  75           3HB      PRO  75   9.607  12.261   2.961
  389    HG2  PRO  75           2HG      PRO  75  10.559  10.063   1.776
  390    HG3  PRO  75           3HG      PRO  75  10.376  10.042   3.564
  391    HD2  PRO  75           2HD      PRO  75   8.630   8.817   1.467
  392    HD3  PRO  75           3HD      PRO  75   9.057   8.200   3.082
  393    H    SER  76           H        SER  76   5.477  10.883   2.204
  394    HA   SER  76           HA       SER  76   4.438  13.531   3.042
  395    HG   SER  76           HG       SER  76   5.735  14.767   0.008
  396    HB2  SER  76           2HB      SER  76   4.671  12.595   0.184
  397    HB3  SER  76           3HB      SER  76   3.819  14.035   0.677
  398    H    GLU  77           H        GLU  77   2.276  13.408   3.416
  399    HA   GLU  77           HA       GLU  77   0.738  11.094   3.041
  400    HB2  GLU  77           2HB      GLU  77  -1.257  12.528   3.432
  401    HB3  GLU  77           3HB      GLU  77   0.012  12.633   4.626
  402    HG2  GLU  77           2HG      GLU  77   0.799  14.778   3.555
  403    HG3  GLU  77           3HG      GLU  77  -0.510  14.631   2.383
  404    H    GLU  78           H        GLU  78   1.601  13.379   0.640
  405    HA   GLU  78           HA       GLU  78  -0.319  13.201  -1.353
  406    HB2  GLU  78           2HB      GLU  78   2.710  12.830  -1.583
  407    HB3  GLU  78           3HB      GLU  78   1.638  13.199  -2.929
  408    HG2  GLU  78           2HG      GLU  78   1.088  15.378  -1.957
  409    HG3  GLU  78           3HG      GLU  78   2.022  15.014  -0.512
  410    H    ILE  79           H        ILE  79   2.159  10.711  -0.588
  411    HA   ILE  79           HA       ILE  79   1.263   8.881  -2.658
  412    HB   ILE  79           HB       ILE  79   3.233   8.517  -0.374
  413   HG12  ILE  79          2HG1      ILE  79   3.316   9.972  -2.917
  414   HG13  ILE  79          3HG1      ILE  79   4.267  10.159  -1.503
  415   HG21  ILE  79          1HG2      ILE  79   4.199   6.631  -1.711
  416   HG22  ILE  79          2HG2      ILE  79   2.561   6.318  -1.179
  417   HG23  ILE  79          3HG2      ILE  79   2.845   6.807  -2.849
  418   HD11  ILE  79          3HD1      ILE  79   4.720   8.314  -3.867
  419   HD12  ILE  79          1HD1      ILE  79   5.693   9.696  -3.341
  420   HD13  ILE  79          2HD1      ILE  79   5.689   8.206  -2.384
  421    H    LEU  80           H        LEU  80   0.730   9.185   0.778
  422    HA   LEU  80           HA       LEU  80  -0.625   6.765   1.289
  423    HG   LEU  80           HG       LEU  80  -2.678   9.475   2.830
  424    HB2  LEU  80           2HB      LEU  80  -0.153   7.789   3.209
  425    HB3  LEU  80           3HB      LEU  80  -0.206   9.372   2.561
  426   HD11  LEU  80          1HD1      LEU  80  -3.047   6.949   2.986
  427   HD12  LEU  80          2HD1      LEU  80  -2.362   7.073   4.630
  428   HD13  LEU  80          3HD1      LEU  80  -3.845   7.947   4.220
  429   HD21  LEU  80          3HD2      LEU  80  -1.150  10.402   4.540
  430   HD22  LEU  80          1HD2      LEU  80  -2.649   9.762   5.239
  431   HD23  LEU  80          2HD2      LEU  80  -1.145   8.830   5.364
  432    H    VAL  81           H        VAL  81  -1.851   9.989   0.335
  433    HA   VAL  81           HA       VAL  81  -4.659   9.218   0.316
  434    HB   VAL  81           HB       VAL  81  -3.177  11.646  -0.825
  435   HG11  VAL  81          1HG1      VAL  81  -6.183  11.244  -0.462
  436   HG12  VAL  81          2HG1      VAL  81  -5.401  12.794  -0.850
  437   HG13  VAL  81          3HG1      VAL  81  -5.316  11.463  -1.998
  438   HG21  VAL  81          3HG2      VAL  81  -4.037  12.885   1.079
  439   HG22  VAL  81          1HG2      VAL  81  -4.897  11.440   1.680
  440   HG23  VAL  81          2HG2      VAL  81  -3.126  11.497   1.657
  441    H    GLU  82           H        GLU  82  -2.128   9.547  -2.123
  442    HA   GLU  82           HA       GLU  82  -3.553   8.963  -4.414
  443    HB2  GLU  82           2HB      GLU  82  -0.841   8.709  -3.212
  444    HB3  GLU  82           3HB      GLU  82  -1.146   7.534  -4.341
  445    HG2  GLU  82           2HG      GLU  82  -1.372  10.529  -4.691
  446    HG3  GLU  82           3HG      GLU  82  -0.003   9.576  -5.259
  447    H    ALA  83           H        ALA  83  -1.811   6.498  -2.404
  448    HA   ALA  83           HA       ALA  83  -3.069   4.213  -3.518
  449    HB1  ALA  83           1HB      ALA  83  -2.250   4.522  -0.610
  450    HB2  ALA  83           2HB      ALA  83  -2.276   3.040  -1.606
  451    HB3  ALA  83           3HB      ALA  83  -1.104   4.333  -1.952
  452    H    LEU  84           H        LEU  84  -4.353   6.228  -0.913
  453    HA   LEU  84           HA       LEU  84  -6.617   4.516  -0.207
  454    HG   LEU  84           HG       LEU  84  -4.897   7.189   1.711
  455    HB2  LEU  84           2HB      LEU  84  -6.429   7.537   0.131
  456    HB3  LEU  84           3HB      LEU  84  -7.612   6.508   0.820
  457   HD11  LEU  84          1HD1      LEU  84  -5.935   6.930   3.892
  458   HD12  LEU  84          2HD1      LEU  84  -6.930   7.924   2.811
  459   HD13  LEU  84          3HD1      LEU  84  -7.388   6.232   3.130
  460   HD21  LEU  84          3HD2      LEU  84  -5.989   4.390   1.943
  461   HD22  LEU  84          1HD2      LEU  84  -4.404   4.882   1.326
  462   HD23  LEU  84          2HD2      LEU  84  -4.737   5.078   3.062
  463    H    GLU  85           H        GLU  85  -6.096   6.870  -2.750
  464    HA   GLU  85           HA       GLU  85  -8.858   6.378  -3.620
  465    HB2  GLU  85           2HB      GLU  85  -6.742   8.207  -4.737
  466    HB3  GLU  85           3HB      GLU  85  -8.418   8.096  -5.307
  467    HG2  GLU  85           2HG      GLU  85  -9.241   9.048  -3.239
  468    HG3  GLU  85           3HG      GLU  85  -7.602   9.107  -2.574
  469    H    ARG  86           H        ARG  86  -5.751   5.049  -4.317
  470    HA   ARG  86           HA       ARG  86  -6.392   4.555  -7.196
  471    HE   ARG  86           HE       ARG  86  -6.521   7.049  -8.172
  472    HB2  ARG  86           2HB      ARG  86  -3.976   5.203  -5.545
  473    HB3  ARG  86           3HB      ARG  86  -3.704   3.981  -6.582
  474    HG2  ARG  86           2HG      ARG  86  -3.073   5.849  -7.738
  475    HG3  ARG  86           3HG      ARG  86  -4.625   5.493  -8.509
  476    HD2  ARG  86           2HD      ARG  86  -4.624   7.351  -6.135
  477    HD3  ARG  86           3HD      ARG  86  -3.859   7.930  -7.632
  478   HH11  ARG  86          2HH2      ARG  86  -4.712   9.694  -6.680
  479   HH12  ARG  86          1HH2      ARG  86  -6.167  10.599  -6.333
  480   HH21  ARG  86          2HH1      ARG  86  -8.296   8.501  -7.998
  481   HH22  ARG  86          1HH1      ARG  86  -8.085   9.988  -7.114
  482    H    LEU  87           H        LEU  87  -5.627   2.936  -4.153
  483    HA   LEU  87           HA       LEU  87  -5.783   0.296  -5.448
  484    HG   LEU  87           HG       LEU  87  -3.445  -0.180  -5.508
  485    HB2  LEU  87           2HB      LEU  87  -4.157   1.432  -3.140
  486    HB3  LEU  87           3HB      LEU  87  -4.472  -0.247  -3.299
  487   HD11  LEU  87          1HD1      LEU  87  -1.812   1.740  -5.909
  488   HD12  LEU  87          2HD1      LEU  87  -3.484   1.718  -6.487
  489   HD13  LEU  87          3HD1      LEU  87  -3.034   2.647  -5.008
  490   HD21  LEU  87          3HD2      LEU  87  -1.686   0.830  -3.242
  491   HD22  LEU  87          1HD2      LEU  87  -2.131  -0.869  -3.534
  492   HD23  LEU  87          2HD2      LEU  87  -1.093  -0.024  -4.685
  493    H    ASN  88           H        ASN  88  -7.738   2.343  -3.657
  494    HA   ASN  88           HA       ASN  88  -8.484   0.447  -1.624
  495    HB2  ASN  88           2HB      ASN  88  -8.627   2.891  -1.279
  496    HB3  ASN  88           3HB      ASN  88  -9.990   2.950  -2.410
  497   HD21  ASN  88          2HD2      ASN  88 -11.411   3.635  -0.714
  498   HD22  ASN  88          1HD2      ASN  88 -11.761   2.593   0.649
  499    H    ASN  89           H        ASN  89  -9.159  -1.413  -2.331
  500    HA   ASN  89           HA       ASN  89 -10.518  -3.047  -2.923
  501    HB2  ASN  89           2HB      ASN  89 -12.186  -1.701  -1.727
  502    HB3  ASN  89           3HB      ASN  89 -12.799  -1.111  -3.271
  503   HD21  ASN  89          1HD2      ASN  89 -12.133  -3.979  -1.239
  504   HD22  ASN  89          2HD2      ASN  89 -13.353  -5.004  -1.985
  505    H    ILE  90           H        ILE  90  -8.726  -2.726  -4.480
  506    HA   ILE  90           HA       ILE  90  -9.705  -2.708  -7.313
  507    HB   ILE  90           HB       ILE  90  -7.476  -2.106  -8.063
  508   HG12  ILE  90          2HG1      ILE  90  -6.381  -1.760  -5.306
  509   HG13  ILE  90          3HG1      ILE  90  -6.248  -3.293  -6.109
  510   HG21  ILE  90          1HG2      ILE  90  -7.428   0.164  -7.395
  511   HG22  ILE  90          2HG2      ILE  90  -9.111  -0.345  -7.446
  512   HG23  ILE  90          3HG2      ILE  90  -8.300  -0.175  -5.878
  513   HD11  ILE  90          3HD1      ILE  90  -5.245  -0.758  -7.398
  514   HD12  ILE  90          1HD1      ILE  90  -4.298  -1.944  -6.479
  515   HD13  ILE  90          2HD1      ILE  90  -5.083  -2.443  -7.974
  516    H    GLU  91           H        GLU  91  -9.067  -4.278  -8.687
  517    HA   GLU  91           HA       GLU  91  -8.213  -6.768  -7.441
  518    HB2  GLU  91           2HB      GLU  91  -9.989  -6.866  -8.930
  519    HB3  GLU  91           3HB      GLU  91  -9.103  -6.004 -10.155
  520    HG2  GLU  91           2HG      GLU  91  -7.867  -8.569  -9.254
  521    HG3  GLU  91           3HG      GLU  91  -9.431  -8.695  -9.976
  522    H    PHE  92           H        PHE  92  -6.450  -7.418  -7.257
  523    HA   PHE  92           HA       PHE  92  -3.971  -6.174  -8.254
  524    HD1  PHE  92           HD1      PHE  92  -1.712  -7.463  -7.765
  525    HD2  PHE  92           HD2      PHE  92  -3.380  -7.597  -3.781
  526    HE1  PHE  92           HE1      PHE  92   0.522  -7.884  -6.841
  527    HE2  PHE  92           HE2      PHE  92  -1.113  -7.982  -2.867
  528    HZ   PHE  92           HZ       PHE  92   0.847  -8.001  -4.411
  529    HB2  PHE  92           2HB      PHE  92  -4.500  -6.248  -5.872
  530    HB3  PHE  92           3HB      PHE  92  -4.793  -7.865  -5.874
  531    H    ARG  93           H        ARG  93  -3.912  -7.298 -10.302
  532    HA   ARG  93           HA       ARG  93  -3.504  -8.946 -11.800
  533    HE   ARG  93           HE       ARG  93   1.132  -6.941 -12.005
  534    HB2  ARG  93           2HB      ARG  93  -1.543  -9.777  -9.625
  535    HB3  ARG  93           3HB      ARG  93  -1.492 -10.348 -11.294
  536    HG2  ARG  93           2HG      ARG  93  -1.120  -8.067 -12.131
  537    HG3  ARG  93           3HG      ARG  93  -1.131  -7.443 -10.457
  538    HD2  ARG  93           2HD      ARG  93   0.742  -8.887  -9.861
  539    HD3  ARG  93           3HD      ARG  93   0.728  -9.641 -11.465
  540   HH11  ARG  93          2HH1      ARG  93   2.847  -9.385 -10.105
  541   HH12  ARG  93          1HH1      ARG  93   4.384  -8.549 -10.340
  542   HH21  ARG  93          1HH2      ARG  93   3.276  -6.064 -12.297
  543   HH22  ARG  93          2HH2      ARG  93   4.590  -6.882 -11.447
  544    H    GLY  94           H        GLY  94  -5.714  -9.660  -9.973
  545    HA2  GLY  94           2HA      GLY  94  -7.041 -11.716 -10.399
  546    HA3  GLY  94           3HA      GLY  94  -5.612 -12.666 -10.010
  547    H    SER  95           H        SER  95  -5.384 -10.340  -7.614
  548    HA   SER  95           HA       SER  95  -7.245 -11.717  -5.729
  549    HG   SER  95           HG       SER  95  -4.145 -12.245  -4.228
  550    HB2  SER  95           2HB      SER  95  -4.597 -10.229  -5.362
  551    HB3  SER  95           3HB      SER  95  -5.692 -10.649  -4.042
  552    H    VAL  96           H        VAL  96  -7.514  -9.625  -3.984
  553    HA   VAL  96           HA       VAL  96  -7.627  -7.119  -5.443
  554    HB   VAL  96           HB       VAL  96  -9.686  -6.947  -5.974
  555   HG11  VAL  96          1HG1      VAL  96 -10.035  -9.228  -6.090
  556   HG12  VAL  96          2HG1      VAL  96 -10.418  -9.335  -4.337
  557   HG13  VAL  96          3HG1      VAL  96 -11.491  -8.454  -5.476
  558   HG21  VAL  96          3HG2      VAL  96  -9.973  -5.511  -4.043
  559   HG22  VAL  96          1HG2      VAL  96 -11.450  -6.339  -4.495
  560   HG23  VAL  96          2HG2      VAL  96 -10.538  -6.899  -3.081
  561    H    ILE  97           H        ILE  97  -7.547  -5.324  -3.944
  562    HA   ILE  97           HA       ILE  97  -7.271  -5.942  -1.036
  563    HB   ILE  97           HB       ILE  97  -5.481  -4.142  -1.032
  564   HG12  ILE  97          2HG1      ILE  97  -5.143  -5.014  -3.924
  565   HG13  ILE  97          3HG1      ILE  97  -5.825  -3.461  -3.437
  566   HG21  ILE  97          1HG2      ILE  97  -3.678  -5.746  -1.276
  567   HG22  ILE  97          2HG2      ILE  97  -4.750  -6.840  -2.201
  568   HG23  ILE  97          3HG2      ILE  97  -5.061  -6.502  -0.492
  569   HD11  ILE  97          3HD1      ILE  97  -3.546  -3.101  -4.057
  570   HD12  ILE  97          1HD1      ILE  97  -3.692  -2.872  -2.312
  571   HD13  ILE  97          2HD1      ILE  97  -2.967  -4.368  -2.967
  572    H    THR  98           H        THR  98  -7.856  -4.411   0.315
  573    HA   THR  98           HA       THR  98  -9.182  -1.870  -0.553
  574    HB   THR  98           HB       THR  98  -9.491  -3.552   1.913
  575    HG1  THR  98           1HG      THR  98 -11.504  -4.106   1.096
  576   HG21  THR  98          1HG2      THR  98 -11.217  -1.218   1.057
  577   HG22  THR  98          2HG2      THR  98 -11.391  -2.204   2.527
  578   HG23  THR  98          3HG2      THR  98  -9.983  -1.151   2.345
  579    H    VAL  99           H        VAL  99  -8.410  -0.005   0.595
  580    HA   VAL  99           HA       VAL  99  -6.038  -0.459   2.313
  581    HB   VAL  99           HB       VAL  99  -4.518   0.805   1.076
  582   HG11  VAL  99          1HG1      VAL  99  -4.207  -0.501  -0.928
  583   HG12  VAL  99          2HG1      VAL  99  -4.866  -1.557   0.332
  584   HG13  VAL  99          3HG1      VAL  99  -5.908  -0.980  -0.963
  585   HG21  VAL  99          3HG2      VAL  99  -5.828   2.553   0.171
  586   HG22  VAL  99          1HG2      VAL  99  -5.158   1.673  -1.197
  587   HG23  VAL  99          2HG2      VAL  99  -6.849   1.406  -0.716
  588    H    GLU 100           H        GLU 100  -5.331   1.196   3.513
  589    HA   GLU 100           HA       GLU 100  -6.838   3.736   3.778
  590    HB2  GLU 100           2HB      GLU 100  -7.749   3.078   5.995
  591    HB3  GLU 100           3HB      GLU 100  -8.511   2.138   4.724
  592    HG2  GLU 100           2HG      GLU 100  -7.242   0.171   5.331
  593    HG3  GLU 100           3HG      GLU 100  -6.195   1.081   6.410
  594    H    ARG 101           H        ARG 101  -6.158   4.968   5.598
  595    HA   ARG 101           HA       ARG 101  -3.390   4.726   6.344
  596    HE   ARG 101           HE       ARG 101  -7.633   3.983   7.857
  597    HB2  ARG 101           2HB      ARG 101  -3.717   6.607   7.582
  598    HB3  ARG 101           3HB      ARG 101  -4.838   6.814   6.270
  599    HG2  ARG 101           2HG      ARG 101  -5.478   6.048   9.143
  600    HG3  ARG 101           3HG      ARG 101  -5.792   7.579   8.335
  601    HD2  ARG 101           2HD      ARG 101  -7.870   6.863   8.057
  602    HD3  ARG 101           3HD      ARG 101  -7.242   5.972   6.709
  603   HH11  ARG 101          1HH2      ARG 101  -7.345   6.364  10.486
  604   HH12  ARG 101          2HH2      ARG 101  -8.128   5.267  11.579
  605   HH21  ARG 101          2HH1      ARG 101  -8.466   2.704   9.310
  606   HH22  ARG 101          1HH1      ARG 101  -8.631   3.212  10.987
  607    H    ASP 102           H        ASP 102  -2.461   4.196   8.341
  608    HA   ASP 102           HA       ASP 102  -4.052   2.393  10.138
  609    HB2  ASP 102           2HB      ASP 102  -2.264   1.473   8.523
  610    HB3  ASP 102           3HB      ASP 102  -1.086   2.249   9.564
  611    H    ASP 103           H        ASP 103  -2.324   5.318  10.037
  612    HA   ASP 103           HA       ASP 103  -2.204   5.507  12.991
  613    HB2  ASP 103           2HB      ASP 103   0.042   6.203  13.019
  614    HB3  ASP 103           3HB      ASP 103   0.001   4.722  12.088
  615    H    ASN 104           H        ASN 104  -3.887   6.731  10.766
  616    HA   ASN 104           HA       ASN 104  -3.748   9.550  11.648
  617    HB2  ASN 104           2HB      ASN 104  -2.443   9.078   9.427
  618    HB3  ASN 104           3HB      ASN 104  -4.023   8.907   8.692
  619   HD21  ASN 104          1HD2      ASN 104  -5.439  11.022   9.863
  620   HD22  ASN 104          2HD2      ASN 104  -4.671  12.527   9.325
  Start of MODEL    6
    1    HA   PRO  25           HA       PRO  25  10.098  16.356   7.725
    2    HB2  PRO  25           2HB      PRO  25  10.050  15.429   4.817
    3    HB3  PRO  25           3HB      PRO  25  11.387  16.209   5.726
    4    HG2  PRO  25           2HG      PRO  25  10.833  13.398   5.457
    5    HG3  PRO  25           3HG      PRO  25  12.011  14.121   6.595
    6    HD2  PRO  25           2HD      PRO  25   9.708  12.760   7.420
    7    HD3  PRO  25           3HD      PRO  25  10.575  13.978   8.374
    8    H    ALA  26           H        ALA  26   9.120  17.178   4.543
    9    HA   ALA  26           HA       ALA  26   7.351  19.311   5.172
   10    HB1  ALA  26           1HB      ALA  26   6.726  19.135   2.782
   11    HB2  ALA  26           2HB      ALA  26   8.485  18.947   2.973
   12    HB3  ALA  26           3HB      ALA  26   7.449  17.519   2.690
   13    H    LYS  27           H        LYS  27   6.783  15.965   4.379
   14    HA   LYS  27           HA       LYS  27   4.499  15.711   6.188
   15    HB2  LYS  27           2HB      LYS  27   4.171  15.412   3.227
   16    HB3  LYS  27           3HB      LYS  27   3.881  13.933   4.033
   17    HG2  LYS  27           2HG      LYS  27   2.472  16.528   4.748
   18    HG3  LYS  27           3HG      LYS  27   1.846  15.208   3.755
   19    HD2  LYS  27           2HD      LYS  27   2.303  13.690   5.830
   20    HD3  LYS  27           3HD      LYS  27   2.383  15.203   6.748
   21    HE2  LYS  27           2HE      LYS  27   0.061  14.131   5.111
   22    HE3  LYS  27           3HE      LYS  27   0.194  14.126   6.863
   23    HZ1  LYS  27           3HZ      LYS  27   0.002  16.562   5.142
   24    HZ2  LYS  27           1HZ      LYS  27  -1.163  16.001   6.140
   25    HZ3  LYS  27           2HZ      LYS  27   0.212  16.591   6.782
   26    H    ARG  28           H        ARG  28   4.118  13.513   6.529
   27    HA   ARG  28           HA       ARG  28   5.145  11.357   5.416
   28    HE   ARG  28           HE       ARG  28   6.791   9.210   9.011
   29    HB2  ARG  28           2HB      ARG  28   6.634  10.184   6.841
   30    HB3  ARG  28           3HB      ARG  28   7.361  11.552   6.080
   31    HG2  ARG  28           2HG      ARG  28   8.254  11.354   8.246
   32    HG3  ARG  28           3HG      ARG  28   7.280  12.824   8.185
   33    HD2  ARG  28           2HD      ARG  28   7.176  11.534  10.279
   34    HD3  ARG  28           3HD      ARG  28   5.628  11.943   9.556
   35   HH11  ARG  28          1HH2      ARG  28   4.054  11.009  10.358
   36   HH12  ARG  28          2HH2      ARG  28   3.193   9.496  10.647
   37   HH21  ARG  28          1HH1      ARG  28   5.456   7.405   9.377
   38   HH22  ARG  28          2HH1      ARG  28   3.887   7.713  10.148
   39    H    TYR  29           H        TYR  29   4.018   9.734   5.834
   40    HA   TYR  29           HA       TYR  29   1.920   9.792   7.962
   41    HD1  TYR  29           HD1      TYR  29   0.702   7.362   5.020
   42    HD2  TYR  29           HD2      TYR  29   2.348  11.157   3.689
   43    HE1  TYR  29           HE1      TYR  29   1.314   6.330   2.857
   44    HE2  TYR  29           HE2      TYR  29   2.747  10.190   1.524
   45    HH   TYR  29           HH       TYR  29   2.003   6.687   0.780
   46    HB2  TYR  29           2HB      TYR  29   0.227   9.501   6.206
   47    HB3  TYR  29           3HB      TYR  29   1.106  10.960   5.848
   48    H    ARG  30           H        ARG  30   0.783   7.676   7.918
   49    HA   ARG  30           HA       ARG  30   2.232   5.509   6.469
   50    HE   ARG  30           HE       ARG  30   0.451   2.547   9.789
   51    HB2  ARG  30           2HB      ARG  30   2.835   5.956   8.987
   52    HB3  ARG  30           3HB      ARG  30   1.294   5.234   9.320
   53    HG2  ARG  30           2HG      ARG  30   3.589   3.968   7.741
   54    HG3  ARG  30           3HG      ARG  30   3.407   3.776   9.474
   55    HD2  ARG  30           2HD      ARG  30   1.244   2.895   7.550
   56    HD3  ARG  30           3HD      ARG  30   2.647   1.903   7.877
   57   HH11  ARG  30          2HH1      ARG  30   3.554   0.919   9.424
   58   HH12  ARG  30          1HH1      ARG  30   3.261  -0.080  10.814
   59   HH21  ARG  30          1HH2      ARG  30   0.165   1.322  11.452
   60   HH22  ARG  30          2HH2      ARG  30   1.360   0.133  11.975
   61    H    ILE  31           H        ILE  31   0.885   4.131   5.466
   62    HA   ILE  31           HA       ILE  31  -2.028   4.194   6.121
   63    HB   ILE  31           HB       ILE  31  -2.619   3.600   3.856
   64   HG12  ILE  31          2HG1      ILE  31   0.224   4.084   2.969
   65   HG13  ILE  31          3HG1      ILE  31  -0.456   2.466   3.254
   66   HG21  ILE  31          1HG2      ILE  31  -2.173   5.716   2.694
   67   HG22  ILE  31          2HG2      ILE  31  -2.631   5.953   4.375
   68   HG23  ILE  31          3HG2      ILE  31  -0.931   6.122   3.892
   69   HD11  ILE  31          3HD1      ILE  31  -1.346   4.412   1.136
   70   HD12  ILE  31          1HD1      ILE  31  -0.571   2.836   0.926
   71   HD13  ILE  31          2HD1      ILE  31  -2.225   2.921   1.565
   72    H    THR  32           H        THR  32  -3.139   2.325   5.907
   73    HA   THR  32           HA       THR  32  -1.567  -0.214   6.254
   74    HB   THR  32           HB       THR  32  -4.314   0.699   7.176
   75    HG1  THR  32           1HG      THR  32  -3.383   0.482   9.204
   76   HG21  THR  32          1HG2      THR  32  -4.617  -1.651   6.740
   77   HG22  THR  32          2HG2      THR  32  -3.038  -2.069   7.433
   78   HG23  THR  32          3HG2      THR  32  -4.364  -1.503   8.474
   79    H    MET  33           H        MET  33  -2.285  -2.047   5.230
   80    HA   MET  33           HA       MET  33  -4.370  -1.804   3.188
   81    HB2  MET  33           2HB      MET  33  -1.713  -3.255   2.766
   82    HB3  MET  33           3HB      MET  33  -2.949  -2.932   1.570
   83    HG2  MET  33           2HG      MET  33  -2.250  -0.553   1.519
   84    HG3  MET  33           3HG      MET  33  -0.999  -0.877   2.733
   85    HE1  MET  33           3HE      MET  33  -1.063  -0.066  -0.590
   86    HE2  MET  33           1HE      MET  33  -0.498  -1.425  -1.598
   87    HE3  MET  33           2HE      MET  33  -2.144  -1.453  -0.914
   88    H    LYS  34           H        LYS  34  -5.717  -3.443   3.214
   89    HA   LYS  34           HA       LYS  34  -4.814  -6.181   3.585
   90    HB2  LYS  34           2HB      LYS  34  -6.827  -6.286   5.507
   91    HB3  LYS  34           3HB      LYS  34  -5.279  -6.456   5.691
   92    HG2  LYS  34           2HG      LYS  34  -6.169  -4.965   7.392
   93    HG3  LYS  34           3HG      LYS  34  -5.334  -3.826   6.313
   94    HD2  LYS  34           2HD      LYS  34  -7.526  -3.599   5.014
   95    HD3  LYS  34           3HD      LYS  34  -8.293  -4.654   6.180
   96    HE2  LYS  34           2HE      LYS  34  -7.941  -3.067   7.992
   97    HE3  LYS  34           3HE      LYS  34  -6.940  -2.035   6.954
   98    HZ1  LYS  34           3HZ      LYS  34  -9.817  -2.572   6.409
   99    HZ2  LYS  34           1HZ      LYS  34  -9.228  -1.204   7.126
  100    HZ3  LYS  34           2HZ      LYS  34  -8.815  -1.501   5.621
  101    H    ASN  35           H        ASN  35  -6.434  -7.712   3.537
  102    HA   ASN  35           HA       ASN  35  -8.917  -7.239   4.107
  103    HB2  ASN  35           2HB      ASN  35  -9.445  -6.004   2.249
  104    HB3  ASN  35           3HB      ASN  35  -8.569  -6.993   1.136
  105   HD21  ASN  35          1HD2      ASN  35  -9.988  -7.862  -0.283
  106   HD22  ASN  35          2HD2      ASN  35 -11.649  -8.349   0.041
  107    H    LEU  36           H        LEU  36 -10.406  -9.347   3.344
  108    HA   LEU  36           HA       LEU  36  -9.250 -11.435   4.689
  109    HG   LEU  36           HG       LEU  36 -11.379 -11.876   5.810
  110    HB2  LEU  36           2HB      LEU  36 -11.741 -10.820   3.607
  111    HB3  LEU  36           3HB      LEU  36 -11.333 -12.317   2.785
  112   HD11  LEU  36          1HD1      LEU  36 -13.305 -13.370   3.983
  113   HD12  LEU  36          2HD1      LEU  36 -13.414 -13.257   5.754
  114   HD13  LEU  36          3HD1      LEU  36 -13.612 -11.803   4.768
  115   HD21  LEU  36          3HD2      LEU  36 -10.969 -14.430   4.200
  116   HD22  LEU  36          1HD2      LEU  36  -9.814 -13.675   5.324
  117   HD23  LEU  36          2HD2      LEU  36 -11.306 -14.375   5.942
  118    HA   PRO  37           HA       PRO  37  -8.287 -14.073   0.896
  119    HB2  PRO  37           2HB      PRO  37  -7.792 -13.058  -1.592
  120    HB3  PRO  37           3HB      PRO  37  -9.433 -13.407  -0.972
  121    HG2  PRO  37           2HG      PRO  37  -7.991 -10.745  -1.018
  122    HG3  PRO  37           3HG      PRO  37  -9.667 -11.106  -1.533
  123    HD2  PRO  37           2HD      PRO  37  -9.045 -10.076   0.895
  124    HD3  PRO  37           3HD      PRO  37 -10.419 -11.204   0.685
  125    H    GLU  38           H        GLU  38  -6.405 -11.104   1.353
  126    HA   GLU  38           HA       GLU  38  -3.990 -12.080   0.131
  127    HB2  GLU  38           2HB      GLU  38  -4.535  -9.812   2.085
  128    HB3  GLU  38           3HB      GLU  38  -2.919 -10.217   1.568
  129    HG2  GLU  38           2HG      GLU  38  -3.525  -8.506   0.134
  130    HG3  GLU  38           3HG      GLU  38  -3.595  -9.976  -0.828
  131    H    GLY  39           H        GLY  39  -2.013 -12.343   1.064
  132    HA2  GLY  39           2HA      GLY  39  -1.487 -12.784   3.872
  133    HA3  GLY  39           3HA      GLY  39  -1.265 -14.252   2.876
  134    H    CYS  40           H        CYS  40  -0.847 -10.815   2.110
  135    HA   CYS  40           HA       CYS  40   1.178 -11.212   0.228
  136    HG   CYS  40           HG       CYS  40   1.026  -8.343   2.858
  137    HB2  CYS  40           2HB      CYS  40   1.215  -8.707   0.195
  138    HB3  CYS  40           3HB      CYS  40  -0.393  -9.421   0.037
  139    H    SER  41           H        SER  41   3.209 -10.290   0.004
  140    HA   SER  41           HA       SER  41   4.866  -9.792   2.452
  141    HG   SER  41           HG       SER  41   4.704 -12.222   0.005
  142    HB2  SER  41           2HB      SER  41   6.012 -10.512  -0.236
  143    HB3  SER  41           3HB      SER  41   6.709 -10.746   1.361
  144    H    TRP  42           H        TRP  42   6.683  -8.142   2.031
  145    HA   TRP  42           HA       TRP  42   5.574  -5.823   0.828
  146    HD1  TRP  42           HD1      TRP  42  10.124  -4.449   0.904
  147    HE1  TRP  42           HE1      TRP  42  10.009  -2.240  -0.384
  148    HE3  TRP  42           HE3      TRP  42   5.010  -3.910   0.591
  149    HZ2  TRP  42           HZ2      TRP  42   7.944  -0.660  -1.746
  150    HZ3  TRP  42           HZ3      TRP  42   4.038  -2.128  -0.773
  151    HH2  TRP  42           HH2      TRP  42   5.485  -0.511  -1.934
  152    HB2  TRP  42           2HB      TRP  42   7.365  -5.585   2.459
  153    HB3  TRP  42           3HB      TRP  42   8.499  -6.373   1.369
  154    H    GLN  43           H        GLN  43   7.910  -8.147  -0.542
  155    HA   GLN  43           HA       GLN  43   8.060  -6.827  -2.998
  156    HB2  GLN  43           2HB      GLN  43   8.858  -8.985  -3.936
  157    HB3  GLN  43           3HB      GLN  43   9.681  -8.553  -2.447
  158    HG2  GLN  43           2HG      GLN  43   7.304 -10.458  -2.383
  159    HG3  GLN  43           3HG      GLN  43   8.891 -11.009  -2.883
  160   HE21  GLN  43          1HE2      GLN  43   8.772 -12.517  -1.035
  161   HE22  GLN  43          2HE2      GLN  43   9.186 -11.900   0.549
  162    H    ASP  44           H        ASP  44   5.355  -8.583  -1.876
  163    HA   ASP  44           HA       ASP  44   4.224  -9.046  -4.553
  164    HB2  ASP  44           2HB      ASP  44   3.081  -9.272  -1.740
  165    HB3  ASP  44           3HB      ASP  44   2.289  -9.613  -3.235
  166    H    LEU  45           H        LEU  45   3.745  -6.921  -1.728
  167    HA   LEU  45           HA       LEU  45   1.640  -5.363  -2.940
  168    HG   LEU  45           HG       LEU  45   1.336  -6.602  -0.445
  169    HB2  LEU  45           2HB      LEU  45   3.426  -5.224  -0.497
  170    HB3  LEU  45           3HB      LEU  45   2.472  -3.827  -0.942
  171   HD11  LEU  45          1HD1      LEU  45   0.472  -5.414   1.628
  172   HD12  LEU  45          2HD1      LEU  45   2.229  -5.629   1.550
  173   HD13  LEU  45          3HD1      LEU  45   1.531  -4.039   1.184
  174   HD21  LEU  45          3HD2      LEU  45  -0.216  -5.490  -1.905
  175   HD22  LEU  45          1HD2      LEU  45  -0.855  -5.233  -0.281
  176   HD23  LEU  45          2HD2      LEU  45   0.033  -3.937  -1.123
  177    H    LYS  46           H        LYS  46   5.138  -4.920  -2.759
  178    HA   LYS  46           HA       LYS  46   5.354  -2.352  -4.069
  179    HB2  LYS  46           2HB      LYS  46   7.246  -3.508  -2.939
  180    HB3  LYS  46           3HB      LYS  46   7.073  -4.871  -4.035
  181    HG2  LYS  46           2HG      LYS  46   8.957  -3.693  -4.704
  182    HG3  LYS  46           3HG      LYS  46   7.736  -3.464  -5.938
  183    HD2  LYS  46           2HD      LYS  46   8.527  -1.332  -5.852
  184    HD3  LYS  46           3HD      LYS  46   7.347  -1.183  -4.537
  185    HE2  LYS  46           2HE      LYS  46   9.199  -1.706  -2.916
  186    HE3  LYS  46           3HE      LYS  46  10.303  -1.972  -4.255
  187    HZ1  LYS  46           3HZ      LYS  46   9.028   0.675  -3.731
  188    HZ2  LYS  46           1HZ      LYS  46  10.565   0.264  -3.297
  189    HZ3  LYS  46           2HZ      LYS  46  10.110   0.359  -4.868
  190    H    ASP  47           H        ASP  47   5.324  -5.736  -5.319
  191    HA   ASP  47           HA       ASP  47   5.304  -4.996  -8.018
  192    HB2  ASP  47           2HB      ASP  47   5.109  -7.455  -6.687
  193    HB3  ASP  47           3HB      ASP  47   3.570  -7.340  -7.467
  194    H    LEU  48           H        LEU  48   2.405  -5.690  -6.047
  195    HA   LEU  48           HA       LEU  48   0.591  -4.875  -7.986
  196    HG   LEU  48           HG       LEU  48  -1.715  -4.180  -7.264
  197    HB2  LEU  48           2HB      LEU  48  -0.230  -5.949  -6.087
  198    HB3  LEU  48           3HB      LEU  48   0.292  -4.667  -4.990
  199   HD11  LEU  48          1HD1      LEU  48  -3.479  -4.262  -5.428
  200   HD12  LEU  48          2HD1      LEU  48  -2.761  -5.766  -5.964
  201   HD13  LEU  48          3HD1      LEU  48  -2.250  -5.031  -4.408
  202   HD21  LEU  48          3HD2      LEU  48  -0.835  -2.654  -4.859
  203   HD22  LEU  48          1HD2      LEU  48  -1.139  -2.123  -6.547
  204   HD23  LEU  48          2HD2      LEU  48  -2.487  -2.444  -5.490
  205    H    ALA  49           H        ALA  49   2.169  -2.779  -5.505
  206    HA   ALA  49           HA       ALA  49   0.791  -0.462  -6.134
  207    HB1  ALA  49           1HB      ALA  49   3.155   0.548  -5.438
  208    HB2  ALA  49           2HB      ALA  49   2.078  -0.286  -4.279
  209    HB3  ALA  49           3HB      ALA  49   3.489  -1.127  -5.007
  210    H    ARG  50           H        ARG  50   3.713  -1.699  -7.780
  211    HA   ARG  50           HA       ARG  50   3.879   0.532  -9.650
  212    HE   ARG  50           HE       ARG  50   6.478  -3.773  -8.482
  213    HB2  ARG  50           2HB      ARG  50   4.890  -2.341  -9.711
  214    HB3  ARG  50           3HB      ARG  50   5.329  -1.151 -10.934
  215    HG2  ARG  50           2HG      ARG  50   6.823  -0.116  -9.647
  216    HG3  ARG  50           3HG      ARG  50   5.766  -0.032  -8.251
  217    HD2  ARG  50           2HD      ARG  50   7.999  -1.300  -8.246
  218    HD3  ARG  50           3HD      ARG  50   6.720  -1.752  -7.196
  219   HH11  ARG  50          1HH2      ARG  50   8.840  -1.738 -10.081
  220   HH12  ARG  50          2HH2      ARG  50   9.357  -3.022 -11.138
  221   HH21  ARG  50          1HH1      ARG  50   7.191  -5.388  -9.866
  222   HH22  ARG  50          2HH1      ARG  50   8.446  -5.007 -11.016
  223    H    GLU  51           H        GLU  51   2.338  -2.597  -9.736
  224    HA   GLU  51           HA       GLU  51   1.114  -2.540 -12.314
  225    HB2  GLU  51           2HB      GLU  51  -0.421  -3.430  -9.856
  226    HB3  GLU  51           3HB      GLU  51  -0.873  -3.661 -11.425
  227    HG2  GLU  51           2HG      GLU  51   1.775  -4.632 -10.367
  228    HG3  GLU  51           3HG      GLU  51   0.392  -5.558 -10.041
  229    H    ASN  52           H        ASN  52   0.178  -0.853  -9.468
  230    HA   ASN  52           HA       ASN  52  -2.365   0.076 -10.576
  231    HB2  ASN  52           2HB      ASN  52  -1.011  -0.494  -8.000
  232    HB3  ASN  52           3HB      ASN  52  -1.926   0.902  -7.928
  233   HD21  ASN  52          2HD2      ASN  52  -1.998  -2.524  -8.656
  234   HD22  ASN  52          1HD2      ASN  52  -3.700  -2.731  -8.258
  235    H    SER  53           H        SER  53   0.607   1.615  -9.506
  236    HA   SER  53           HA       SER  53   1.323   3.506 -10.971
  237    HG   SER  53           HG       SER  53  -1.489   3.896 -11.885
  238    HB2  SER  53           2HB      SER  53  -1.204   4.785  -9.870
  239    HB3  SER  53           3HB      SER  53   0.171   5.695 -10.492
  240    H    LEU  54           H        LEU  54   0.971   2.423  -7.915
  241    HA   LEU  54           HA       LEU  54   2.137   4.685  -6.453
  242    HG   LEU  54           HG       LEU  54  -0.211   3.196  -4.153
  243    HB2  LEU  54           2HB      LEU  54   0.795   2.158  -5.793
  244    HB3  LEU  54           3HB      LEU  54   2.219   2.304  -4.864
  245   HD11  LEU  54          1HD1      LEU  54   2.536   4.116  -3.180
  246   HD12  LEU  54          2HD1      LEU  54   1.064   4.312  -2.234
  247   HD13  LEU  54          3HD1      LEU  54   1.648   2.693  -2.604
  248   HD21  LEU  54          3HD2      LEU  54  -0.168   5.612  -3.901
  249   HD22  LEU  54          1HD2      LEU  54   1.348   5.732  -4.783
  250   HD23  LEU  54          2HD2      LEU  54  -0.130   5.188  -5.622
  251    H    GLU  55           H        GLU  55   3.724   4.457  -5.167
  252    HA   GLU  55           HA       GLU  55   5.755   2.509  -4.870
  253    HB2  GLU  55           2HB      GLU  55   6.516   3.560  -6.966
  254    HB3  GLU  55           3HB      GLU  55   6.227   5.169  -6.324
  255    HG2  GLU  55           2HG      GLU  55   8.495   4.798  -6.261
  256    HG3  GLU  55           3HG      GLU  55   7.996   4.873  -4.621
  257    H    THR  56           H        THR  56   6.902   3.200  -2.865
  258    HA   THR  56           HA       THR  56   6.404   5.943  -1.882
  259    HB   THR  56           HB       THR  56   5.726   5.419   0.284
  260    HG1  THR  56           1HG      THR  56   5.481   3.284   1.004
  261   HG21  THR  56          1HG2      THR  56   3.987   3.649  -1.440
  262   HG22  THR  56          2HG2      THR  56   3.578   4.338   0.146
  263   HG23  THR  56          3HG2      THR  56   3.820   5.393  -1.215
  264    H    THR  57           H        THR  57   7.676   5.464   0.719
  265    HA   THR  57           HA       THR  57  10.501   5.057   0.001
  266    HB   THR  57           HB       THR  57   9.278   5.175   2.788
  267    HG1  THR  57           1HG      THR  57  10.107   7.372   1.176
  268   HG21  THR  57          1HG2      THR  57  11.991   6.033   1.702
  269   HG22  THR  57          2HG2      THR  57  11.408   6.287   3.367
  270   HG23  THR  57          3HG2      THR  57  11.649   4.640   2.759
  271    H    PHE  58           H        PHE  58   7.851   3.380   1.727
  272    HA   PHE  58           HA       PHE  58   9.009   0.750   1.616
  273    HD1  PHE  58           HD2      PHE  58   8.480   3.601   5.044
  274    HD2  PHE  58           HD1      PHE  58   9.415  -0.609   5.184
  275    HE1  PHE  58           HE2      PHE  58   7.565   3.460   7.364
  276    HE2  PHE  58           HE1      PHE  58   8.476  -0.746   7.475
  277    HZ   PHE  58           HZ       PHE  58   7.554   1.292   8.566
  278    HB2  PHE  58           2HB      PHE  58  10.309   0.808   3.440
  279    HB3  PHE  58           3HB      PHE  58  10.160   2.520   3.517
  280    H    SER  59           H        SER  59   7.871  -0.830   2.988
  281    HA   SER  59           HA       SER  59   5.390   0.089   4.293
  282    HG   SER  59           HG       SER  59   3.314  -2.441   2.843
  283    HB2  SER  59           2HB      SER  59   4.552  -0.677   2.169
  284    HB3  SER  59           3HB      SER  59   5.508  -2.128   2.276
  285    H    SER  60           H        SER  60   4.835  -1.024   6.036
  286    HA   SER  60           HA       SER  60   6.565  -3.100   7.248
  287    HG   SER  60           HG       SER  60   5.850  -0.436   8.187
  288    HB2  SER  60           2HB      SER  60   3.977  -1.762   8.112
  289    HB3  SER  60           3HB      SER  60   4.857  -2.965   9.070
  290    H    VAL  61           H        VAL  61   6.345  -5.016   6.223
  291    HA   VAL  61           HA       VAL  61   3.724  -6.398   6.176
  292    HB   VAL  61           HB       VAL  61   5.498  -6.981   3.841
  293   HG11  VAL  61          1HG1      VAL  61   3.410  -7.479   2.721
  294   HG12  VAL  61          2HG1      VAL  61   3.263  -8.179   4.333
  295   HG13  VAL  61          3HG1      VAL  61   2.474  -6.649   3.954
  296   HG21  VAL  61          3HG2      VAL  61   4.332  -5.320   2.402
  297   HG22  VAL  61          1HG2      VAL  61   3.731  -4.532   3.863
  298   HG23  VAL  61          2HG2      VAL  61   5.476  -4.588   3.538
  299    H    ASN  62           H        ASN  62   4.293  -8.853   5.552
  300    HA   ASN  62           HA       ASN  62   5.303 -10.807   6.002
  301    HB2  ASN  62           2HB      ASN  62   7.831  -9.244   6.603
  302    HB3  ASN  62           3HB      ASN  62   7.719 -10.984   6.410
  303   HD21  ASN  62          1HD2      ASN  62   8.710  -8.293   4.823
  304   HD22  ASN  62          2HD2      ASN  62   8.539  -8.918   3.192
  305    H    THR  63           H        THR  63   5.521  -8.288   8.436
  306    HA   THR  63           HA       THR  63   5.677  -9.872  10.814
  307    HB   THR  63           HB       THR  63   4.399  -7.894  11.799
  308    HG1  THR  63           1HG      THR  63   3.315  -7.247   9.900
  309   HG21  THR  63          1HG2      THR  63   6.839  -7.180  10.105
  310   HG22  THR  63          2HG2      THR  63   6.230  -6.295  11.523
  311   HG23  THR  63          3HG2      THR  63   6.881  -7.931  11.718
  312    H    ARG  64           H        ARG  64   4.090 -10.992  11.980
  313    HA   ARG  64           HA       ARG  64   1.859 -11.975  10.479
  314    HE   ARG  64           HE       ARG  64  -1.305 -14.630  11.942
  315    HB2  ARG  64           2HB      ARG  64   3.073 -13.267  12.255
  316    HB3  ARG  64           3HB      ARG  64   2.376 -12.205  13.473
  317    HG2  ARG  64           2HG      ARG  64   1.122 -14.264  13.442
  318    HG3  ARG  64           3HG      ARG  64   0.089 -12.989  12.823
  319    HD2  ARG  64           2HD      ARG  64   0.839 -13.809  10.449
  320    HD3  ARG  64           3HD      ARG  64   1.494 -15.215  11.297
  321   HH11  ARG  64          1HH2      ARG  64   0.670 -16.243   9.497
  322   HH12  ARG  64          2HH2      ARG  64  -0.759 -16.951   8.765
  323   HH21  ARG  64          1HH1      ARG  64  -3.003 -15.733  10.946
  324   HH22  ARG  64          2HH1      ARG  64  -2.648 -16.729   9.561
  325    H    ASP  65           H        ASP  65  -0.266 -11.659  10.578
  326    HA   ASP  65           HA       ASP  65  -1.554  -9.742  12.409
  327    HB2  ASP  65           2HB      ASP  65  -0.708  -8.653  10.128
  328    HB3  ASP  65           3HB      ASP  65  -2.079  -9.501   9.452
  329    H    PHE  66           H        PHE  66  -4.049  -9.976  10.642
  330    HA   PHE  66           HA       PHE  66  -5.177 -12.417  11.439
  331    HD1  PHE  66           HD1      PHE  66  -4.910  -9.547   8.143
  332    HD2  PHE  66           HD2      PHE  66  -7.317 -13.120   8.251
  333    HE1  PHE  66           HE1      PHE  66  -4.730  -9.754   5.660
  334    HE2  PHE  66           HE2      PHE  66  -7.150 -13.309   5.784
  335    HZ   PHE  66           HZ       PHE  66  -5.846 -11.635   4.489
  336    HB2  PHE  66           2HB      PHE  66  -6.991 -11.814  10.236
  337    HB3  PHE  66           3HB      PHE  66  -6.187 -10.254  10.215
  338    H    ASP  67           H        ASP  67  -3.199 -11.756   8.579
  339    HA   ASP  67           HA       ASP  67  -2.054 -14.332   8.670
  340    HB2  ASP  67           2HB      ASP  67  -4.208 -14.861   7.331
  341    HB3  ASP  67           3HB      ASP  67  -3.467 -13.941   6.022
  342    H    GLY  68           H        GLY  68  -2.635 -11.641   6.375
  343    HA2  GLY  68           2HA      GLY  68  -0.024 -10.573   6.884
  344    HA3  GLY  68           3HA      GLY  68  -0.037 -11.280   5.281
  345    H    THR  69           H        THR  69  -0.242  -8.565   6.803
  346    HA   THR  69           HA       THR  69  -1.985  -7.003   4.894
  347    HB   THR  69           HB       THR  69  -2.529  -5.538   6.702
  348    HG1  THR  69           1HG      THR  69  -1.826  -6.267   8.882
  349   HG21  THR  69          1HG2      THR  69  -3.780  -7.763   6.442
  350   HG22  THR  69          2HG2      THR  69  -2.893  -8.319   7.841
  351   HG23  THR  69          3HG2      THR  69  -3.963  -6.905   7.994
  352    H    GLY  70           H        GLY  70  -1.135  -4.921   4.404
  353    HA2  GLY  70           2HA      GLY  70   1.817  -4.541   4.820
  354    HA3  GLY  70           3HA      GLY  70   0.929  -3.916   3.436
  355    H    ALA  71           H        ALA  71   2.532  -2.370   5.244
  356    HA   ALA  71           HA       ALA  71   0.491  -0.301   5.372
  357    HB1  ALA  71           1HB      ALA  71   0.462  -1.389   7.665
  358    HB2  ALA  71           2HB      ALA  71   2.118  -0.807   7.894
  359    HB3  ALA  71           3HB      ALA  71   0.780   0.335   7.659
  360    H    LEU  72           H        LEU  72   1.280   1.119   4.069
  361    HA   LEU  72           HA       LEU  72   4.099   1.343   3.259
  362    HG   LEU  72           HG       LEU  72   2.001   1.704   0.216
  363    HB2  LEU  72           2HB      LEU  72   1.552   2.516   2.385
  364    HB3  LEU  72           3HB      LEU  72   2.989   3.153   1.847
  365   HD11  LEU  72          1HD1      LEU  72   4.755   1.130   1.161
  366   HD12  LEU  72          2HD1      LEU  72   4.014   0.047  -0.017
  367   HD13  LEU  72          3HD1      LEU  72   4.155   1.745  -0.361
  368   HD21  LEU  72          3HD2      LEU  72   0.877   0.190   1.660
  369   HD22  LEU  72          1HD2      LEU  72   1.887  -0.676   0.472
  370   HD23  LEU  72          2HD2      LEU  72   2.395  -0.549   2.158
  371    H    GLU  73           H        GLU  73   5.184   3.374   3.282
  372    HA   GLU  73           HA       GLU  73   3.948   5.791   4.586
  373    HB2  GLU  73           2HB      GLU  73   5.010   4.960   6.438
  374    HB3  GLU  73           3HB      GLU  73   6.431   4.422   5.562
  375    HG2  GLU  73           2HG      GLU  73   7.399   6.523   5.473
  376    HG3  GLU  73           3HG      GLU  73   5.879   7.372   5.658
  377    H    PHE  74           H        PHE  74   4.524   7.741   3.602
  378    HA   PHE  74           HA       PHE  74   7.004   7.913   2.009
  379    HD1  PHE  74           HD2      PHE  74   7.410   7.265  -0.252
  380    HD2  PHE  74           HD1      PHE  74   5.124  10.850  -0.541
  381    HE1  PHE  74           HE2      PHE  74   9.027   8.120  -1.933
  382    HE2  PHE  74           HE1      PHE  74   6.778  11.790  -2.135
  383    HZ   PHE  74           HZ       PHE  74   8.727  10.418  -2.856
  384    HB2  PHE  74           2HB      PHE  74   4.637   7.616   0.572
  385    HB3  PHE  74           3HB      PHE  74   4.521   9.262   0.965
  386    HA   PRO  75           HA       PRO  75   6.919  12.021   3.919
  387    HB2  PRO  75           2HB      PRO  75   8.880  13.381   2.555
  388    HB3  PRO  75           3HB      PRO  75   9.190  12.059   3.709
  389    HG2  PRO  75           2HG      PRO  75   8.919  11.840   0.690
  390    HG3  PRO  75           3HG      PRO  75  10.273  11.260   1.724
  391    HD2  PRO  75           2HD      PRO  75   8.327   9.582   1.007
  392    HD3  PRO  75           3HD      PRO  75   8.930   9.549   2.674
  393    H    SER  76           H        SER  76   5.223  11.619   1.097
  394    HA   SER  76           HA       SER  76   4.265  14.446   1.293
  395    HG   SER  76           HG       SER  76   5.907  15.017  -1.704
  396    HB2  SER  76           2HB      SER  76   4.581  12.940  -1.268
  397    HB3  SER  76           3HB      SER  76   3.854  14.538  -1.089
  398    H    GLU  77           H        GLU  77   2.169  14.368   1.836
  399    HA   GLU  77           HA       GLU  77   0.547  12.112   1.794
  400    HB2  GLU  77           2HB      GLU  77  -1.348  13.606   2.204
  401    HB3  GLU  77           3HB      GLU  77   0.062  13.984   3.176
  402    HG2  GLU  77           2HG      GLU  77   0.598  15.783   1.359
  403    HG3  GLU  77           3HG      GLU  77  -1.060  15.519   0.805
  404    H    GLU  78           H        GLU  78   1.347  14.002  -0.935
  405    HA   GLU  78           HA       GLU  78  -0.679  13.562  -2.824
  406    HB2  GLU  78           2HB      GLU  78   2.338  13.177  -3.137
  407    HB3  GLU  78           3HB      GLU  78   1.192  13.442  -4.455
  408    HG2  GLU  78           2HG      GLU  78   0.732  15.715  -3.621
  409    HG3  GLU  78           3HG      GLU  78   1.784  15.451  -2.229
  410    H    ILE  79           H        ILE  79   1.910  11.283  -1.829
  411    HA   ILE  79           HA       ILE  79   1.011   9.151  -3.579
  412    HB   ILE  79           HB       ILE  79   2.993   9.047  -1.274
  413   HG12  ILE  79          2HG1      ILE  79   3.186  10.187  -3.988
  414   HG13  ILE  79          3HG1      ILE  79   4.012  10.649  -2.553
  415   HG21  ILE  79          1HG2      ILE  79   3.930   7.147  -2.378
  416   HG22  ILE  79          2HG2      ILE  79   2.221   6.810  -2.122
  417   HG23  ILE  79          3HG2      ILE  79   2.811   7.264  -3.743
  418   HD11  ILE  79          3HD1      ILE  79   4.692   8.445  -4.564
  419   HD12  ILE  79          1HD1      ILE  79   5.608   9.911  -4.201
  420   HD13  ILE  79          2HD1      ILE  79   5.545   8.596  -3.014
  421    H    LEU  80           H        LEU  80   0.499   9.970  -0.189
  422    HA   LEU  80           HA       LEU  80  -0.757   7.595   0.666
  423    HG   LEU  80           HG       LEU  80  -3.009  10.233   1.870
  424    HB2  LEU  80           2HB      LEU  80  -0.287   8.927   2.399
  425    HB3  LEU  80           3HB      LEU  80  -0.533  10.401   1.565
  426   HD11  LEU  80          1HD1      LEU  80  -3.029   7.735   2.382
  427   HD12  LEU  80          2HD1      LEU  80  -2.352   8.170   3.973
  428   HD13  LEU  80          3HD1      LEU  80  -3.948   8.776   3.487
  429   HD21  LEU  80          3HD2      LEU  80  -2.983  10.842   4.231
  430   HD22  LEU  80          1HD2      LEU  80  -1.344  10.185   4.402
  431   HD23  LEU  80          2HD2      LEU  80  -1.629  11.604   3.371
  432    H    VAL  81           H        VAL  81  -2.109  10.587  -0.761
  433    HA   VAL  81           HA       VAL  81  -4.889   9.712  -0.635
  434    HB   VAL  81           HB       VAL  81  -3.504  11.997  -2.137
  435   HG11  VAL  81          1HG1      VAL  81  -6.497  11.535  -1.759
  436   HG12  VAL  81          2HG1      VAL  81  -5.764  13.034  -2.372
  437   HG13  VAL  81          3HG1      VAL  81  -5.617  11.548  -3.302
  438   HG21  VAL  81          3HG2      VAL  81  -4.437  13.462  -0.438
  439   HG22  VAL  81          1HG2      VAL  81  -5.257  12.087   0.341
  440   HG23  VAL  81          2HG2      VAL  81  -3.488  12.202   0.341
  441    H    GLU  82           H        GLU  82  -2.367   9.691  -3.104
  442    HA   GLU  82           HA       GLU  82  -3.794   8.680  -5.260
  443    HB2  GLU  82           2HB      GLU  82  -1.077   8.729  -4.041
  444    HB3  GLU  82           3HB      GLU  82  -1.349   7.378  -4.973
  445    HG2  GLU  82           2HG      GLU  82  -1.481  10.285  -5.740
  446    HG3  GLU  82           3HG      GLU  82  -0.220   9.148  -6.201
  447    H    ALA  83           H        ALA  83  -1.910   6.627  -2.899
  448    HA   ALA  83           HA       ALA  83  -3.116   4.158  -3.636
  449    HB1  ALA  83           1HB      ALA  83  -2.076   5.016  -0.920
  450    HB2  ALA  83           2HB      ALA  83  -2.354   3.335  -1.460
  451    HB3  ALA  83           3HB      ALA  83  -1.139   4.333  -2.264
  452    H    LEU  84           H        LEU  84  -4.443   6.508  -1.338
  453    HA   LEU  84           HA       LEU  84  -6.583   4.769  -0.310
  454    HG   LEU  84           HG       LEU  84  -4.964   7.726   1.262
  455    HB2  LEU  84           2HB      LEU  84  -6.407   7.821  -0.381
  456    HB3  LEU  84           3HB      LEU  84  -7.631   6.931   0.414
  457   HD11  LEU  84          1HD1      LEU  84  -5.982   7.574   3.445
  458   HD12  LEU  84          2HD1      LEU  84  -7.047   8.397   2.297
  459   HD13  LEU  84          3HD1      LEU  84  -7.384   6.709   2.760
  460   HD21  LEU  84          3HD2      LEU  84  -4.314   5.430   1.034
  461   HD22  LEU  84          1HD2      LEU  84  -4.607   5.752   2.749
  462   HD23  LEU  84          2HD2      LEU  84  -5.836   4.875   1.745
  463    H    GLU  85           H        GLU  85  -6.247   6.858  -3.131
  464    HA   GLU  85           HA       GLU  85  -9.022   6.194  -3.835
  465    HB2  GLU  85           2HB      GLU  85  -6.958   8.042  -5.106
  466    HB3  GLU  85           3HB      GLU  85  -8.582   7.786  -5.764
  467    HG2  GLU  85           2HG      GLU  85  -9.601   8.711  -3.756
  468    HG3  GLU  85           3HG      GLU  85  -8.020   8.944  -3.011
  469    H    ARG  86           H        ARG  86  -5.922   4.818  -4.416
  470    HA   ARG  86           HA       ARG  86  -6.567   3.904  -7.190
  471    HE   ARG  86           HE       ARG  86  -3.978   7.882  -8.619
  472    HB2  ARG  86           2HB      ARG  86  -4.112   4.821  -5.713
  473    HB3  ARG  86           3HB      ARG  86  -3.847   3.513  -6.652
  474    HG2  ARG  86           2HG      ARG  86  -3.326   5.451  -7.933
  475    HG3  ARG  86           3HG      ARG  86  -4.787   4.779  -8.691
  476    HD2  ARG  86           2HD      ARG  86  -6.235   6.308  -7.460
  477    HD3  ARG  86           3HD      ARG  86  -4.854   6.899  -6.524
  478   HH11  ARG  86          1HH2      ARG  86  -7.416   7.840  -7.897
  479   HH12  ARG  86          2HH2      ARG  86  -7.411   9.526  -7.450
  480   HH21  ARG  86          2HH1      ARG  86  -4.172  10.073  -8.404
  481   HH22  ARG  86          1HH1      ARG  86  -5.760  10.796  -8.188
  482    H    LEU  87           H        LEU  87  -5.433   2.830  -3.996
  483    HA   LEU  87           HA       LEU  87  -5.564   0.039  -4.818
  484    HG   LEU  87           HG       LEU  87  -3.479  -0.433  -5.058
  485    HB2  LEU  87           2HB      LEU  87  -3.849   1.527  -2.864
  486    HB3  LEU  87           3HB      LEU  87  -4.173  -0.157  -2.693
  487   HD11  LEU  87          1HD1      LEU  87  -3.553   1.316  -6.242
  488   HD12  LEU  87          2HD1      LEU  87  -2.912   2.419  -4.954
  489   HD13  LEU  87          3HD1      LEU  87  -1.814   1.375  -5.864
  490   HD21  LEU  87          3HD2      LEU  87  -1.379   0.666  -3.160
  491   HD22  LEU  87          1HD2      LEU  87  -1.932  -1.034  -3.311
  492   HD23  LEU  87          2HD2      LEU  87  -1.025  -0.289  -4.618
  493    H    ASN  88           H        ASN  88  -7.606   2.185  -3.398
  494    HA   ASN  88           HA       ASN  88  -8.365   0.489  -1.179
  495    HB2  ASN  88           2HB      ASN  88  -8.432   2.964  -1.017
  496    HB3  ASN  88           3HB      ASN  88  -9.778   2.969  -2.176
  497   HD21  ASN  88          2HD2      ASN  88 -11.210   3.839  -0.582
  498   HD22  ASN  88          1HD2      ASN  88 -11.634   2.928   0.855
  499    H    ASN  89           H        ASN  89  -9.312  -1.325  -1.510
  500    HA   ASN  89           HA       ASN  89 -10.692  -2.940  -2.064
  501    HB2  ASN  89           2HB      ASN  89 -12.287  -1.210  -1.112
  502    HB3  ASN  89           3HB      ASN  89 -12.871  -0.984  -2.759
  503   HD21  ASN  89          1HD2      ASN  89 -12.318  -3.338  -0.111
  504   HD22  ASN  89          2HD2      ASN  89 -13.586  -4.446  -0.624
  505    H    ILE  90           H        ILE  90  -8.817  -2.658  -3.739
  506    HA   ILE  90           HA       ILE  90  -9.961  -3.051  -6.480
  507    HB   ILE  90           HB       ILE  90  -7.842  -2.336  -7.477
  508   HG12  ILE  90          2HG1      ILE  90  -6.330  -1.006  -6.248
  509   HG13  ILE  90          3HG1      ILE  90  -6.781  -1.876  -4.750
  510   HG21  ILE  90          1HG2      ILE  90  -8.779  -0.225  -5.479
  511   HG22  ILE  90          2HG2      ILE  90  -8.227   0.008  -7.155
  512   HG23  ILE  90          3HG2      ILE  90  -9.792  -0.743  -6.850
  513   HD11  ILE  90          3HD1      ILE  90  -5.757  -3.872  -5.679
  514   HD12  ILE  90          1HD1      ILE  90  -5.723  -3.163  -7.314
  515   HD13  ILE  90          2HD1      ILE  90  -4.685  -2.506  -6.048
  516    H    GLU  91           H        GLU  91  -9.481  -4.765  -7.629
  517    HA   GLU  91           HA       GLU  91  -8.582  -7.043  -6.173
  518    HB2  GLU  91           2HB      GLU  91 -10.306  -7.463  -7.533
  519    HB3  GLU  91           3HB      GLU  91  -9.634  -6.574  -8.860
  520    HG2  GLU  91           2HG      GLU  91  -7.999  -8.938  -8.081
  521    HG3  GLU  91           3HG      GLU  91  -9.653  -9.303  -8.482
  522    H    PHE  92           H        PHE  92  -6.842  -7.714  -5.790
  523    HA   PHE  92           HA       PHE  92  -4.419  -6.575  -6.914
  524    HD1  PHE  92           HD2      PHE  92  -2.092  -8.182  -6.503
  525    HD2  PHE  92           HD1      PHE  92  -3.493  -7.588  -2.461
  526    HE1  PHE  92           HE2      PHE  92   0.202  -8.389  -5.675
  527    HE2  PHE  92           HE1      PHE  92  -1.162  -7.739  -1.648
  528    HZ   PHE  92           HZ       PHE  92   0.700  -8.026  -3.296
  529    HB2  PHE  92           2HB      PHE  92  -4.781  -6.670  -4.498
  530    HB3  PHE  92           3HB      PHE  92  -5.036  -8.311  -4.488
  531    H    ARG  93           H        ARG  93  -4.574  -7.675  -8.974
  532    HA   ARG  93           HA       ARG  93  -4.236  -9.308 -10.521
  533    HE   ARG  93           HE       ARG  93   0.201  -8.654 -11.405
  534    HB2  ARG  93           2HB      ARG  93  -1.973  -8.699  -9.422
  535    HB3  ARG  93           3HB      ARG  93  -2.062 -10.279  -8.646
  536    HG2  ARG  93           2HG      ARG  93  -2.245 -11.270 -11.029
  537    HG3  ARG  93           3HG      ARG  93  -1.927  -9.655 -11.652
  538    HD2  ARG  93           2HD      ARG  93  -0.096 -11.042  -9.649
  539    HD3  ARG  93           3HD      ARG  93   0.027 -11.341 -11.385
  540   HH11  ARG  93          2HH2      ARG  93   1.986 -10.884  -9.290
  541   HH12  ARG  93          1HH2      ARG  93   3.393  -9.816  -9.377
  542   HH21  ARG  93          1HH1      ARG  93   2.025  -7.575 -11.473
  543   HH22  ARG  93          2HH1      ARG  93   3.444  -8.121 -10.527
  544    H    GLY  94           H        GLY  94  -6.221 -10.108  -8.523
  545    HA2  GLY  94           2HA      GLY  94  -7.405 -12.326  -8.925
  546    HA3  GLY  94           3HA      GLY  94  -5.917 -13.089  -8.374
  547    H    SER  95           H        SER  95  -5.781 -10.676  -6.185
  548    HA   SER  95           HA       SER  95  -7.827 -11.829  -4.336
  549    HG   SER  95           HG       SER  95  -4.827 -12.510  -4.498
  550    HB2  SER  95           2HB      SER  95  -5.206 -10.402  -3.730
  551    HB3  SER  95           3HB      SER  95  -6.363 -11.105  -2.567
  552    H    VAL  96           H        VAL  96  -7.485  -9.331  -2.658
  553    HA   VAL  96           HA       VAL  96  -7.879  -7.078  -4.261
  554    HB   VAL  96           HB       VAL  96 -10.053  -7.155  -4.816
  555   HG11  VAL  96          1HG1      VAL  96 -11.852  -8.296  -3.691
  556   HG12  VAL  96          2HG1      VAL  96 -10.541  -9.315  -4.274
  557   HG13  VAL  96          3HG1      VAL  96 -10.652  -8.940  -2.519
  558   HG21  VAL  96          3HG2      VAL  96  -9.936  -5.245  -3.251
  559   HG22  VAL  96          1HG2      VAL  96 -11.545  -5.929  -3.483
  560   HG23  VAL  96          2HG2      VAL  96 -10.645  -6.278  -1.993
  561    H    ILE  97           H        ILE  97  -7.329  -5.353  -2.985
  562    HA   ILE  97           HA       ILE  97  -7.240  -5.712  -0.002
  563    HB   ILE  97           HB       ILE  97  -5.477  -3.826  -0.159
  564   HG12  ILE  97          2HG1      ILE  97  -5.248  -4.967  -2.968
  565   HG13  ILE  97          3HG1      ILE  97  -5.769  -3.325  -2.568
  566   HG21  ILE  97          1HG2      ILE  97  -4.738  -6.602  -1.041
  567   HG22  ILE  97          2HG2      ILE  97  -3.687  -5.425  -0.190
  568   HG23  ILE  97          3HG2      ILE  97  -5.091  -6.124   0.617
  569   HD11  ILE  97          3HD1      ILE  97  -3.496  -3.012  -1.451
  570   HD12  ILE  97          1HD1      ILE  97  -3.011  -4.539  -2.235
  571   HD13  ILE  97          2HD1      ILE  97  -3.496  -3.146  -3.224
  572    H    THR  98           H        THR  98  -7.572  -3.952   1.319
  573    HA   THR  98           HA       THR  98  -8.969  -1.527   0.214
  574    HB   THR  98           HB       THR  98  -9.372  -3.001   2.811
  575    HG1  THR  98           1HG      THR  98 -10.362  -4.094   1.150
  576   HG21  THR  98          1HG2      THR  98 -11.088  -0.740   1.768
  577   HG22  THR  98          2HG2      THR  98 -11.208  -1.582   3.317
  578   HG23  THR  98          3HG2      THR  98  -9.822  -0.529   3.003
  579    H    VAL  99           H        VAL  99  -8.190   0.430   1.111
  580    HA   VAL  99           HA       VAL  99  -5.890   0.221   2.949
  581    HB   VAL  99           HB       VAL  99  -4.329   1.362   1.560
  582   HG11  VAL  99          1HG1      VAL  99  -3.882  -0.232  -0.181
  583   HG12  VAL  99          2HG1      VAL  99  -4.502  -1.112   1.216
  584   HG13  VAL  99          3HG1      VAL  99  -5.551  -0.828  -0.170
  585   HG21  VAL  99          3HG2      VAL  99  -4.877   1.811  -0.840
  586   HG22  VAL  99          1HG2      VAL  99  -6.574   1.441  -0.444
  587   HG23  VAL  99          2HG2      VAL  99  -5.760   2.831   0.293
  588    H    GLU 100           H        GLU 100  -5.209   2.021   3.951
  589    HA   GLU 100           HA       GLU 100  -6.743   4.566   3.725
  590    HB2  GLU 100           2HB      GLU 100  -7.792   4.244   5.984
  591    HB3  GLU 100           3HB      GLU 100  -8.445   3.148   4.788
  592    HG2  GLU 100           2HG      GLU 100  -6.219   1.843   6.172
  593    HG3  GLU 100           3HG      GLU 100  -7.279   2.581   7.352
  594    H    ARG 101           H        ARG 101  -6.153   6.163   5.066
  595    HA   ARG 101           HA       ARG 101  -3.537   6.390   6.175
  596    HE   ARG 101           HE       ARG 101  -5.866  10.558   7.501
  597    HB2  ARG 101           2HB      ARG 101  -4.363   8.430   7.115
  598    HB3  ARG 101           3HB      ARG 101  -4.926   8.268   5.467
  599    HG2  ARG 101           2HG      ARG 101  -7.088   7.223   6.681
  600    HG3  ARG 101           3HG      ARG 101  -6.477   8.166   8.042
  601    HD2  ARG 101           2HD      ARG 101  -6.867   9.413   5.284
  602    HD3  ARG 101           3HD      ARG 101  -8.227   9.181   6.376
  603   HH11  ARG 101          1HH1      ARG 101  -8.944  11.197   5.917
  604   HH12  ARG 101          2HH1      ARG 101  -9.094  12.751   6.693
  605   HH21  ARG 101          1HH2      ARG 101  -6.238  12.337   8.601
  606   HH22  ARG 101          2HH2      ARG 101  -7.552  13.422   8.172
  607    H    ASP 102           H        ASP 102  -2.667   5.898   8.004
  608    HA   ASP 102           HA       ASP 102  -4.268   4.478  10.090
  609    HB2  ASP 102           2HB      ASP 102  -2.885   3.080   8.567
  610    HB3  ASP 102           3HB      ASP 102  -1.448   3.939   9.112
  611    H    ASP 103           H        ASP 103  -1.979   7.073   9.646
  612    HA   ASP 103           HA       ASP 103  -1.978   7.495  12.595
  613    HB2  ASP 103           2HB      ASP 103   0.322   7.890  12.724
  614    HB3  ASP 103           3HB      ASP 103   0.154   6.380  11.842
  615    H    ASN 104           H        ASN 104  -2.788   8.859   9.683
  616    HA   ASN 104           HA       ASN 104  -2.778  11.627  10.719
  617    HB2  ASN 104           2HB      ASN 104  -0.608  11.399   9.569
  618    HB3  ASN 104           3HB      ASN 104  -1.391  10.693   8.161
  619   HD21  ASN 104          1HD2      ASN 104  -2.970  12.070   7.044
  620   HD22  ASN 104          2HD2      ASN 104  -2.624  13.794   6.897
  Start of MODEL    7
    1    HA   PRO  25           HA       PRO  25   9.576  17.006   5.778
    2    HB2  PRO  25           2HB      PRO  25   8.376  15.689   3.304
    3    HB3  PRO  25           3HB      PRO  25   9.555  17.048   3.367
    4    HG2  PRO  25           2HG      PRO  25  10.362  14.430   3.226
    5    HG3  PRO  25           3HG      PRO  25  11.265  15.635   4.183
    6    HD2  PRO  25           2HD      PRO  25   9.742  13.349   5.207
    7    HD3  PRO  25           3HD      PRO  25  10.803  14.482   6.068
    8    H    ALA  26           H        ALA  26   7.022  17.178   3.542
    9    HA   ALA  26           HA       ALA  26   5.333  18.938   5.019
   10    HB1  ALA  26           1HB      ALA  26   5.418  18.762   2.553
   11    HB2  ALA  26           2HB      ALA  26   4.799  17.098   2.635
   12    HB3  ALA  26           3HB      ALA  26   3.767  18.458   3.138
   13    H    LYS  27           H        LYS  27   5.455  15.461   4.736
   14    HA   LYS  27           HA       LYS  27   3.713  14.912   7.082
   15    HB2  LYS  27           2HB      LYS  27   3.213  14.324   4.156
   16    HB3  LYS  27           3HB      LYS  27   2.939  12.975   5.210
   17    HG2  LYS  27           2HG      LYS  27   1.607  15.685   5.574
   18    HG3  LYS  27           3HG      LYS  27   0.963  14.321   4.676
   19    HD2  LYS  27           2HD      LYS  27   1.402  12.972   6.927
   20    HD3  LYS  27           3HD      LYS  27   1.335  14.581   7.664
   21    HE2  LYS  27           2HE      LYS  27  -0.782  13.334   5.841
   22    HE3  LYS  27           3HE      LYS  27  -0.880  13.398   7.597
   23    HZ1  LYS  27           3HZ      LYS  27  -0.794  15.811   5.855
   24    HZ2  LYS  27           1HZ      LYS  27  -2.132  15.206   6.528
   25    HZ3  LYS  27           2HZ      LYS  27  -0.960  15.820   7.485
   26    H    ARG  28           H        ARG  28   3.778  12.775   7.684
   27    HA   ARG  28           HA       ARG  28   5.443  10.766   6.466
   28    HE   ARG  28           HE       ARG  28   8.598   9.315   7.846
   29    HB2  ARG  28           2HB      ARG  28   6.017  11.791   9.301
   30    HB3  ARG  28           3HB      ARG  28   6.432  10.180   8.750
   31    HG2  ARG  28           2HG      ARG  28   7.766  11.325   6.838
   32    HG3  ARG  28           3HG      ARG  28   7.599  12.789   7.839
   33    HD2  ARG  28           2HD      ARG  28   9.646  11.882   8.484
   34    HD3  ARG  28           3HD      ARG  28   8.494  11.460   9.770
   35   HH11  ARG  28          1HH1      ARG  28  10.692  10.593  10.368
   36   HH12  ARG  28          2HH1      ARG  28  11.487   9.052  10.564
   37   HH21  ARG  28          1HH2      ARG  28   9.562   7.514   8.131
   38   HH22  ARG  28          2HH2      ARG  28  10.877   7.301   9.290
   39    H    TYR  29           H        TYR  29   2.950  10.802   6.230
   40    HA   TYR  29           HA       TYR  29   1.263   9.733   8.331
   41    HD1  TYR  29           HD2      TYR  29   0.050   7.236   5.526
   42    HD2  TYR  29           HD1      TYR  29   1.756  10.903   3.967
   43    HE1  TYR  29           HE2      TYR  29   0.682   6.055   3.450
   44    HE2  TYR  29           HE1      TYR  29   2.117   9.791   1.864
   45    HH   TYR  29           HH       TYR  29   1.450   6.252   1.359
   46    HB2  TYR  29           2HB      TYR  29  -0.350   9.458   6.604
   47    HB3  TYR  29           3HB      TYR  29   0.538  10.878   6.105
   48    H    ARG  30           H        ARG  30   0.255   7.625   8.342
   49    HA   ARG  30           HA       ARG  30   1.779   5.483   6.965
   50    HE   ARG  30           HE       ARG  30   1.826   2.670  10.994
   51    HB2  ARG  30           2HB      ARG  30   2.505   6.106   9.419
   52    HB3  ARG  30           3HB      ARG  30   1.097   5.223   9.879
   53    HG2  ARG  30           2HG      ARG  30   3.332   4.158   8.070
   54    HG3  ARG  30           3HG      ARG  30   3.370   4.009   9.828
   55    HD2  ARG  30           2HD      ARG  30   1.207   2.819   8.070
   56    HD3  ARG  30           3HD      ARG  30   2.647   1.959   8.631
   57   HH11  ARG  30          1HH1      ARG  30  -0.357   1.615   8.460
   58   HH12  ARG  30          2HH1      ARG  30  -1.581   1.123   9.595
   59   HH21  ARG  30          1HH2      ARG  30   0.234   2.104  12.369
   60   HH22  ARG  30          2HH2      ARG  30  -1.327   1.643  11.753
   61    H    ILE  31           H        ILE  31   0.428   4.332   5.813
   62    HA   ILE  31           HA       ILE  31  -2.450   4.115   6.617
   63    HB   ILE  31           HB       ILE  31  -2.925   3.250   4.371
   64   HG12  ILE  31          2HG1      ILE  31  -0.068   3.920   3.680
   65   HG13  ILE  31          3HG1      ILE  31  -0.699   2.276   3.903
   66   HG21  ILE  31          1HG2      ILE  31  -3.187   5.616   4.817
   67   HG22  ILE  31          2HG2      ILE  31  -1.521   5.927   4.295
   68   HG23  ILE  31          3HG2      ILE  31  -2.734   5.325   3.147
   69   HD11  ILE  31          3HD1      ILE  31  -1.437   4.219   1.697
   70   HD12  ILE  31          1HD1      ILE  31  -0.633   2.654   1.553
   71   HD13  ILE  31          2HD1      ILE  31  -2.340   2.716   2.039
   72    H    THR  32           H        THR  32  -3.532   2.201   6.319
   73    HA   THR  32           HA       THR  32  -1.993  -0.346   6.757
   74    HB   THR  32           HB       THR  32  -4.800   0.520   7.584
   75    HG1  THR  32           1HG      THR  32  -3.994   0.455   9.607
   76   HG21  THR  32          1HG2      THR  32  -4.884  -1.888   7.116
   77   HG22  THR  32          2HG2      THR  32  -3.368  -2.160   7.994
   78   HG23  THR  32          3HG2      THR  32  -4.839  -1.672   8.867
   79    H    MET  33           H        MET  33  -2.539  -2.076   5.541
   80    HA   MET  33           HA       MET  33  -4.682  -1.847   3.542
   81    HB2  MET  33           2HB      MET  33  -1.881  -2.854   2.823
   82    HB3  MET  33           3HB      MET  33  -3.227  -2.532   1.742
   83    HG2  MET  33           2HG      MET  33  -2.923  -0.057   2.724
   84    HG3  MET  33           3HG      MET  33  -1.330  -0.680   3.095
   85    HE1  MET  33           3HE      MET  33  -1.778  -2.533  -0.022
   86    HE2  MET  33           1HE      MET  33  -0.387  -1.675  -0.735
   87    HE3  MET  33           2HE      MET  33  -0.309  -2.272   0.934
   88    H    LYS  34           H        LYS  34  -5.992  -3.509   3.669
   89    HA   LYS  34           HA       LYS  34  -4.961  -6.275   3.818
   90    HB2  LYS  34           2HB      LYS  34  -7.043  -6.410   5.717
   91    HB3  LYS  34           3HB      LYS  34  -5.482  -6.682   5.905
   92    HG2  LYS  34           2HG      LYS  34  -6.260  -5.184   7.660
   93    HG3  LYS  34           3HG      LYS  34  -5.429  -4.042   6.577
   94    HD2  LYS  34           2HD      LYS  34  -7.665  -3.732   5.371
   95    HD3  LYS  34           3HD      LYS  34  -8.409  -4.804   6.533
   96    HE2  LYS  34           2HE      LYS  34  -7.990  -3.275   8.367
   97    HE3  LYS  34           3HE      LYS  34  -7.021  -2.216   7.326
   98    HZ1  LYS  34           3HZ      LYS  34  -9.901  -2.764   6.831
   99    HZ2  LYS  34           1HZ      LYS  34  -9.323  -1.413   7.577
  100    HZ3  LYS  34           2HZ      LYS  34  -8.927  -1.655   6.061
  101    H    ASN  35           H        ASN  35  -6.611  -7.876   3.688
  102    HA   ASN  35           HA       ASN  35  -9.066  -7.317   4.330
  103    HB2  ASN  35           2HB      ASN  35  -9.767  -6.008   2.626
  104    HB3  ASN  35           3HB      ASN  35  -8.850  -6.815   1.399
  105   HD21  ASN  35          2HD2      ASN  35  -9.752  -8.300   0.109
  106   HD22  ASN  35          1HD2      ASN  35 -11.402  -8.891   0.268
  107    H    LEU  36           H        LEU  36  -7.996  -9.448   1.574
  108    HA   LEU  36           HA       LEU  36  -9.502 -11.655   2.738
  109    HG   LEU  36           HG       LEU  36 -10.349 -11.031   0.278
  110    HB2  LEU  36           2HB      LEU  36  -7.795 -11.274   0.295
  111    HB3  LEU  36           3HB      LEU  36  -8.033 -12.917   0.871
  112   HD11  LEU  36          1HD1      LEU  36 -10.645 -12.367  -1.779
  113   HD12  LEU  36          2HD1      LEU  36  -9.120 -11.485  -1.767
  114   HD13  LEU  36          3HD1      LEU  36  -9.128 -13.231  -1.430
  115   HD21  LEU  36          3HD2      LEU  36 -11.669 -13.138   0.204
  116   HD22  LEU  36          1HD2      LEU  36 -10.234 -14.050   0.714
  117   HD23  LEU  36          2HD2      LEU  36 -10.993 -12.863   1.803
  118    HA   PRO  37           HA       PRO  37  -6.325 -13.518   5.328
  119    HB2  PRO  37           2HB      PRO  37  -7.456 -16.119   4.288
  120    HB3  PRO  37           3HB      PRO  37  -7.062 -15.638   5.968
  121    HG2  PRO  37           2HG      PRO  37  -9.616 -15.601   5.083
  122    HG3  PRO  37           3HG      PRO  37  -8.997 -14.234   6.072
  123    HD2  PRO  37           2HD      PRO  37  -9.261 -14.400   3.051
  124    HD3  PRO  37           3HD      PRO  37  -9.775 -13.099   4.171
  125    H    GLU  38           H        GLU  38  -4.773 -12.570   3.782
  126    HA   GLU  38           HA       GLU  38  -3.311 -14.677   2.318
  127    HB2  GLU  38           2HB      GLU  38  -4.705 -12.913   0.990
  128    HB3  GLU  38           3HB      GLU  38  -3.451 -11.781   1.484
  129    HG2  GLU  38           2HG      GLU  38  -2.105 -14.066   0.335
  130    HG3  GLU  38           3HG      GLU  38  -3.495 -13.748  -0.669
  131    H    GLY  39           H        GLY  39  -2.826 -12.494   4.717
  132    HA2  GLY  39           2HA      GLY  39  -0.977 -11.856   5.726
  133    HA3  GLY  39           3HA      GLY  39  -0.507 -13.549   5.605
  134    H    CYS  40           H        CYS  40  -0.710 -10.843   3.368
  135    HA   CYS  40           HA       CYS  40   1.115 -11.379   1.491
  136    HG   CYS  40           HG       CYS  40  -1.204 -10.356   0.598
  137    HB2  CYS  40           2HB      CYS  40   0.788  -8.529   2.510
  138    HB3  CYS  40           3HB      CYS  40   1.039  -9.098   0.853
  139    H    SER  41           H        SER  41   3.155 -10.231   0.864
  140    HA   SER  41           HA       SER  41   5.048  -9.754   3.136
  141    HG   SER  41           HG       SER  41   4.952 -12.484   1.969
  142    HB2  SER  41           2HB      SER  41   5.606 -10.977   0.408
  143    HB3  SER  41           3HB      SER  41   6.864 -10.429   1.522
  144    H    TRP  42           H        TRP  42   6.737  -8.143   2.728
  145    HA   TRP  42           HA       TRP  42   5.649  -5.845   1.522
  146    HD1  TRP  42           HD1      TRP  42  10.109  -4.281   2.055
  147    HE1  TRP  42           HE1      TRP  42   9.991  -1.987   0.920
  148    HE3  TRP  42           HE3      TRP  42   5.033  -4.021   1.131
  149    HZ2  TRP  42           HZ2      TRP  42   8.016  -0.386  -0.460
  150    HZ3  TRP  42           HZ3      TRP  42   4.129  -2.216  -0.227
  151    HH2  TRP  42           HH2      TRP  42   5.557  -0.421  -1.049
  152    HB2  TRP  42           2HB      TRP  42   7.382  -5.680   3.228
  153    HB3  TRP  42           3HB      TRP  42   8.558  -6.362   2.128
  154    H    GLN  43           H        GLN  43   7.969  -8.173   0.070
  155    HA   GLN  43           HA       GLN  43   8.191  -6.627  -2.240
  156    HB2  GLN  43           2HB      GLN  43   9.460  -8.348  -3.151
  157    HB3  GLN  43           3HB      GLN  43   9.577  -8.692  -1.442
  158    HG2  GLN  43           2HG      GLN  43   9.150 -10.803  -2.291
  159    HG3  GLN  43           3HG      GLN  43   7.532 -10.305  -1.829
  160   HE21  GLN  43          2HE2      GLN  43   6.184 -11.265  -3.439
  161   HE22  GLN  43          1HE2      GLN  43   6.523 -11.132  -5.167
  162    H    ASP  44           H        ASP  44   5.544  -8.528  -1.359
  163    HA   ASP  44           HA       ASP  44   4.351  -8.836  -4.036
  164    HB2  ASP  44           2HB      ASP  44   3.646  -9.514  -1.166
  165    HB3  ASP  44           3HB      ASP  44   2.427  -9.400  -2.345
  166    H    LEU  45           H        LEU  45   3.763  -6.977  -1.045
  167    HA   LEU  45           HA       LEU  45   1.647  -5.443  -2.226
  168    HG   LEU  45           HG       LEU  45   1.301  -6.708   0.308
  169    HB2  LEU  45           2HB      LEU  45   3.356  -5.380   0.261
  170    HB3  LEU  45           3HB      LEU  45   2.459  -3.944  -0.140
  171   HD11  LEU  45          1HD1      LEU  45   0.306  -5.466   2.320
  172   HD12  LEU  45          2HD1      LEU  45   2.075  -5.418   2.318
  173   HD13  LEU  45          3HD1      LEU  45   1.185  -3.996   1.768
  174   HD21  LEU  45          3HD2      LEU  45  -0.234  -5.709  -1.241
  175   HD22  LEU  45          1HD2      LEU  45  -0.934  -5.303   0.317
  176   HD23  LEU  45          2HD2      LEU  45   0.013  -4.102  -0.586
  177    H    LYS  46           H        LYS  46   5.085  -4.913  -1.981
  178    HA   LYS  46           HA       LYS  46   5.365  -2.227  -3.137
  179    HB2  LYS  46           2HB      LYS  46   7.091  -3.569  -1.898
  180    HB3  LYS  46           3HB      LYS  46   7.169  -4.678  -3.263
  181    HG2  LYS  46           2HG      LYS  46   7.632  -1.696  -3.531
  182    HG3  LYS  46           3HG      LYS  46   8.910  -2.775  -3.000
  183    HD2  LYS  46           2HD      LYS  46   7.496  -3.098  -5.692
  184    HD3  LYS  46           3HD      LYS  46   8.919  -2.137  -5.358
  185    HE2  LYS  46           2HE      LYS  46   9.938  -4.070  -6.086
  186    HE3  LYS  46           3HE      LYS  46   9.907  -4.375  -4.354
  187    HZ1  LYS  46           3HZ      LYS  46   9.174  -6.312  -5.577
  188    HZ2  LYS  46           1HZ      LYS  46   7.864  -5.772  -4.781
  189    HZ3  LYS  46           2HZ      LYS  46   8.029  -5.522  -6.395
  190    H    ASP  47           H        ASP  47   5.400  -5.481  -4.579
  191    HA   ASP  47           HA       ASP  47   5.427  -4.535  -7.244
  192    HB2  ASP  47           2HB      ASP  47   5.044  -7.094  -5.868
  193    HB3  ASP  47           3HB      ASP  47   3.854  -6.938  -7.095
  194    H    LEU  48           H        LEU  48   2.462  -5.438  -5.416
  195    HA   LEU  48           HA       LEU  48   0.747  -4.513  -7.425
  196    HG   LEU  48           HG       LEU  48  -1.583  -4.020  -6.921
  197    HB2  LEU  48           2HB      LEU  48  -0.127  -5.732  -5.621
  198    HB3  LEU  48           3HB      LEU  48   0.197  -4.442  -4.457
  199   HD11  LEU  48          1HD1      LEU  48  -3.524  -4.253  -5.231
  200   HD12  LEU  48          2HD1      LEU  48  -2.753  -5.712  -5.816
  201   HD13  LEU  48          3HD1      LEU  48  -2.366  -5.055  -4.180
  202   HD21  LEU  48          3HD2      LEU  48  -1.047  -1.961  -5.885
  203   HD22  LEU  48          1HD2      LEU  48  -2.675  -2.368  -5.482
  204   HD23  LEU  48          2HD2      LEU  48  -1.404  -2.663  -4.257
  205    H    ALA  49           H        ALA  49   2.137  -2.569  -4.737
  206    HA   ALA  49           HA       ALA  49   0.919  -0.140  -5.403
  207    HB1  ALA  49           1HB      ALA  49   1.948   0.079  -3.496
  208    HB2  ALA  49           2HB      ALA  49   3.246  -1.087  -3.864
  209    HB3  ALA  49           3HB      ALA  49   3.392   0.560  -4.446
  210    H    ARG  50           H        ARG  50   3.826  -1.565  -6.903
  211    HA   ARG  50           HA       ARG  50   4.300   0.738  -8.610
  212    HE   ARG  50           HE       ARG  50   8.606   0.020  -6.634
  213    HB2  ARG  50           2HB      ARG  50   5.363  -1.904  -9.464
  214    HB3  ARG  50           3HB      ARG  50   6.096  -0.304  -9.514
  215    HG2  ARG  50           2HG      ARG  50   5.806  -2.197  -7.226
  216    HG3  ARG  50           3HG      ARG  50   7.252  -1.697  -7.878
  217    HD2  ARG  50           2HD      ARG  50   5.627   0.399  -6.517
  218    HD3  ARG  50           3HD      ARG  50   6.591  -0.739  -5.602
  219   HH11  ARG  50          2HH1      ARG  50   5.995   2.352  -7.319
  220   HH12  ARG  50          1HH1      ARG  50   7.197   3.439  -8.005
  221   HH21  ARG  50          2HH2      ARG  50   9.920   1.614  -7.480
  222   HH22  ARG  50          1HH2      ARG  50   9.159   3.115  -7.998
  223    H    GLU  51           H        GLU  51   2.384  -2.193  -8.866
  224    HA   GLU  51           HA       GLU  51   1.564  -2.050 -11.622
  225    HB2  GLU  51           2HB      GLU  51  -0.118  -3.045  -9.305
  226    HB3  GLU  51           3HB      GLU  51  -0.487  -3.226 -10.931
  227    HG2  GLU  51           2HG      GLU  51   2.051  -4.255  -9.629
  228    HG3  GLU  51           3HG      GLU  51   0.655  -5.207  -9.613
  229    H    ASN  52           H        ASN  52   0.580  -0.409  -8.792
  230    HA   ASN  52           HA       ASN  52  -1.920   0.534  -9.986
  231    HB2  ASN  52           2HB      ASN  52  -0.705  -0.122  -7.347
  232    HB3  ASN  52           3HB      ASN  52  -1.772   1.140  -7.282
  233   HD21  ASN  52          2HD2      ASN  52  -1.409  -2.166  -8.239
  234   HD22  ASN  52          1HD2      ASN  52  -3.083  -2.579  -7.905
  235    H    SER  53           H        SER  53   0.914   2.154  -8.547
  236    HA   SER  53           HA       SER  53   1.086   4.509  -9.812
  237    HG   SER  53           HG       SER  53  -1.099   6.989  -8.124
  238    HB2  SER  53           2HB      SER  53  -1.222   5.180  -9.569
  239    HB3  SER  53           3HB      SER  53  -1.185   4.805  -7.838
  240    H    LEU  54           H        LEU  54   1.358   2.797  -6.899
  241    HA   LEU  54           HA       LEU  54   2.259   5.061  -5.231
  242    HG   LEU  54           HG       LEU  54  -0.058   2.575  -4.279
  243    HB2  LEU  54           2HB      LEU  54   2.068   2.133  -4.781
  244    HB3  LEU  54           3HB      LEU  54   2.759   3.125  -3.576
  245   HD11  LEU  54          1HD1      LEU  54   1.147   3.521  -1.631
  246   HD12  LEU  54          2HD1      LEU  54  -0.357   2.633  -1.888
  247   HD13  LEU  54          3HD1      LEU  54   1.189   1.839  -2.149
  248   HD21  LEU  54          3HD2      LEU  54   0.000   4.995  -4.842
  249   HD22  LEU  54          1HD2      LEU  54  -1.005   4.617  -3.465
  250   HD23  LEU  54          2HD2      LEU  54   0.594   5.337  -3.193
  251    H    GLU  55           H        GLU  55   4.093   5.256  -4.369
  252    HA   GLU  55           HA       GLU  55   6.534   3.806  -5.000
  253    HB2  GLU  55           2HB      GLU  55   6.200   5.282  -6.966
  254    HB3  GLU  55           3HB      GLU  55   6.245   6.707  -5.921
  255    HG2  GLU  55           2HG      GLU  55   8.497   6.446  -5.414
  256    HG3  GLU  55           3HG      GLU  55   8.487   4.710  -5.651
  257    H    THR  56           H        THR  56   5.442   3.774  -2.737
  258    HA   THR  56           HA       THR  56   5.770   5.981  -0.949
  259    HB   THR  56           HB       THR  56   5.243   4.332   0.779
  260    HG1  THR  56           1HG      THR  56   5.162   2.191   0.284
  261   HG21  THR  56          1HG2      THR  56   3.295   5.121  -0.134
  262   HG22  THR  56          2HG2      THR  56   3.473   4.175  -1.634
  263   HG23  THR  56          3HG2      THR  56   3.097   3.379  -0.094
  264    H    THR  57           H        THR  57   7.093   5.573   1.220
  265    HA   THR  57           HA       THR  57   9.924   5.281   0.588
  266    HB   THR  57           HB       THR  57   8.647   5.159   3.341
  267    HG1  THR  57           1HG      THR  57   8.436   7.234   3.372
  268   HG21  THR  57          1HG2      THR  57  11.056   4.740   3.325
  269   HG22  THR  57          2HG2      THR  57  11.334   6.238   2.407
  270   HG23  THR  57          3HG2      THR  57  10.700   6.306   4.066
  271    H    PHE  58           H        PHE  58   7.481   3.426   2.396
  272    HA   PHE  58           HA       PHE  58   8.804   0.854   2.172
  273    HD1  PHE  58           HD2      PHE  58   8.571   4.018   5.376
  274    HD2  PHE  58           HD1      PHE  58   8.865  -0.244   5.951
  275    HE1  PHE  58           HE2      PHE  58   7.650   4.257   7.670
  276    HE2  PHE  58           HE1      PHE  58   7.909  -0.006   8.228
  277    HZ   PHE  58           HZ       PHE  58   7.293   2.246   9.085
  278    HB2  PHE  58           2HB      PHE  58   9.950   0.843   4.085
  279    HB3  PHE  58           3HB      PHE  58   9.989   2.556   3.917
  280    H    SER  59           H        SER  59   7.794  -0.740   3.695
  281    HA   SER  59           HA       SER  59   5.288   0.079   4.984
  282    HG   SER  59           HG       SER  59   4.213  -3.026   4.400
  283    HB2  SER  59           2HB      SER  59   4.418  -0.637   2.950
  284    HB3  SER  59           3HB      SER  59   5.466  -2.047   2.888
  285    H    SER  60           H        SER  60   4.739  -1.197   6.705
  286    HA   SER  60           HA       SER  60   6.582  -3.352   7.656
  287    HG   SER  60           HG       SER  60   4.627  -4.217   9.900
  288    HB2  SER  60           2HB      SER  60   5.548  -1.628   9.222
  289    HB3  SER  60           3HB      SER  60   3.982  -2.396   8.886
  290    H    VAL  61           H        VAL  61   6.164  -5.390   6.993
  291    HA   VAL  61           HA       VAL  61   3.424  -6.399   6.789
  292    HB   VAL  61           HB       VAL  61   5.188  -7.358   4.573
  293   HG11  VAL  61          1HG1      VAL  61   3.092  -7.724   3.449
  294   HG12  VAL  61          2HG1      VAL  61   2.816  -8.230   5.132
  295   HG13  VAL  61          3HG1      VAL  61   2.218  -6.676   4.561
  296   HG21  VAL  61          3HG2      VAL  61   3.602  -4.785   4.324
  297   HG22  VAL  61          1HG2      VAL  61   5.369  -4.953   4.121
  298   HG23  VAL  61          2HG2      VAL  61   4.244  -5.717   2.981
  299    H    ASN  62           H        ASN  62   3.708  -8.987   6.471
  300    HA   ASN  62           HA       ASN  62   4.279 -10.900   7.494
  301    HB2  ASN  62           2HB      ASN  62   7.040  -9.769   6.981
  302    HB3  ASN  62           3HB      ASN  62   6.829 -11.329   7.759
  303   HD21  ASN  62          1HD2      ASN  62   7.244  -9.920   4.774
  304   HD22  ASN  62          2HD2      ASN  62   6.593 -11.275   3.823
  305    H    THR  63           H        THR  63   4.368  -8.173   9.318
  306    HA   THR  63           HA       THR  63   5.274  -9.184  11.855
  307    HB   THR  63           HB       THR  63   3.635  -7.293  12.667
  308    HG1  THR  63           1HG      THR  63   2.457  -6.841  10.925
  309   HG21  THR  63          1HG2      THR  63   6.017  -6.663  10.869
  310   HG22  THR  63          2HG2      THR  63   5.304  -5.593  12.103
  311   HG23  THR  63          3HG2      THR  63   6.094  -7.099  12.594
  312    H    ARG  64           H        ARG  64   2.815 -10.308   9.997
  313    HA   ARG  64           HA       ARG  64   1.212 -11.807  10.199
  314    HE   ARG  64           HE       ARG  64   1.526 -15.523   8.762
  315    HB2  ARG  64           2HB      ARG  64   3.374 -12.672  11.782
  316    HB3  ARG  64           3HB      ARG  64   1.939 -13.078  12.710
  317    HG2  ARG  64           2HG      ARG  64   2.390 -14.964  11.319
  318    HG3  ARG  64           3HG      ARG  64   0.995 -14.154  10.607
  319    HD2  ARG  64           2HD      ARG  64   2.806 -12.952   9.100
  320    HD3  ARG  64           3HD      ARG  64   3.868 -14.270   9.609
  321   HH11  ARG  64          1HH1      ARG  64   3.787 -13.430   7.021
  322   HH12  ARG  64          2HH1      ARG  64   2.857 -13.592   5.558
  323   HH21  ARG  64          1HH2      ARG  64   0.499 -15.651   6.849
  324   HH22  ARG  64          2HH2      ARG  64   1.282 -15.041   5.408
  325    H    ASP  65           H        ASP  65   0.808  -9.321  11.666
  326    HA   ASP  65           HA       ASP  65  -0.891  -8.406  13.157
  327    HB2  ASP  65           2HB      ASP  65  -1.548  -8.797  10.213
  328    HB3  ASP  65           3HB      ASP  65  -2.204  -7.515  11.162
  329    H    PHE  66           H        PHE  66  -2.095 -11.064  11.293
  330    HA   PHE  66           HA       PHE  66  -4.316 -11.830  12.876
  331    HD1  PHE  66           HD1      PHE  66  -6.566 -12.753   9.743
  332    HD2  PHE  66           HD2      PHE  66  -4.227  -9.168   9.260
  333    HE1  PHE  66           HE1      PHE  66  -6.674 -13.027   7.301
  334    HE2  PHE  66           HE2      PHE  66  -4.335  -9.445   6.784
  335    HZ   PHE  66           HZ       PHE  66  -5.501 -11.403   5.777
  336    HB2  PHE  66           2HB      PHE  66  -6.180 -11.261  11.614
  337    HB3  PHE  66           3HB      PHE  66  -5.256  -9.785  11.461
  338    H    ASP  67           H        ASP  67  -2.833 -11.609   9.799
  339    HA   ASP  67           HA       ASP  67  -1.527 -14.150   9.779
  340    HB2  ASP  67           2HB      ASP  67  -3.694 -14.814   8.690
  341    HB3  ASP  67           3HB      ASP  67  -3.443 -13.554   7.479
  342    H    GLY  68           H        GLY  68  -2.530 -11.111   8.128
  343    HA2  GLY  68           2HA      GLY  68  -0.318  -9.669   8.671
  344    HA3  GLY  68           3HA      GLY  68   0.229 -10.501   7.263
  345    H    THR  69           H        THR  69  -0.692  -7.711   8.118
  346    HA   THR  69           HA       THR  69  -2.188  -6.917   5.659
  347    HB   THR  69           HB       THR  69  -3.001  -5.036   6.749
  348    HG1  THR  69           1HG      THR  69  -1.145  -5.581   8.815
  349   HG21  THR  69          1HG2      THR  69  -4.118  -7.120   7.597
  350   HG22  THR  69          2HG2      THR  69  -3.070  -7.045   9.022
  351   HG23  THR  69          3HG2      THR  69  -4.203  -5.727   8.704
  352    H    GLY  70           H        GLY  70  -1.368  -4.781   4.844
  353    HA2  GLY  70           2HA      GLY  70   1.587  -4.398   5.130
  354    HA3  GLY  70           3HA      GLY  70   0.571  -3.738   3.842
  355    H    ALA  71           H        ALA  71   2.361  -2.343   5.730
  356    HA   ALA  71           HA       ALA  71   0.389  -0.224   6.224
  357    HB1  ALA  71           1HB      ALA  71   1.380   0.147   8.540
  358    HB2  ALA  71           2HB      ALA  71   0.440  -1.344   8.376
  359    HB3  ALA  71           3HB      ALA  71   2.213  -1.394   8.363
  360    H    LEU  72           H        LEU  72   1.049   1.256   4.890
  361    HA   LEU  72           HA       LEU  72   3.872   1.386   3.984
  362    HG   LEU  72           HG       LEU  72   1.595   1.355   0.971
  363    HB2  LEU  72           2HB      LEU  72   1.344   2.528   2.941
  364    HB3  LEU  72           3HB      LEU  72   2.845   2.936   2.327
  365   HD11  LEU  72          1HD1      LEU  72   4.424   1.115   1.689
  366   HD12  LEU  72          2HD1      LEU  72   3.720  -0.348   0.988
  367   HD13  LEU  72          3HD1      LEU  72   3.594   1.150   0.107
  368   HD21  LEU  72          3HD2      LEU  72   2.191  -0.724   3.061
  369   HD22  LEU  72          1HD2      LEU  72   0.619  -0.025   2.689
  370   HD23  LEU  72          2HD2      LEU  72   1.477  -0.988   1.472
  371    H    GLU  73           H        GLU  73   4.890   3.459   3.774
  372    HA   GLU  73           HA       GLU  73   3.623   5.869   5.132
  373    HB2  GLU  73           2HB      GLU  73   5.232   4.787   6.653
  374    HB3  GLU  73           3HB      GLU  73   6.491   4.930   5.437
  375    HG2  GLU  73           2HG      GLU  73   5.297   7.551   6.074
  376    HG3  GLU  73           3HG      GLU  73   5.885   6.728   7.508
  377    H    PHE  74           H        PHE  74   4.232   7.949   4.269
  378    HA   PHE  74           HA       PHE  74   6.461   8.081   2.423
  379    HD1  PHE  74           HD2      PHE  74   6.840   7.374   0.306
  380    HD2  PHE  74           HD1      PHE  74   4.652  11.005  -0.220
  381    HE1  PHE  74           HE2      PHE  74   8.448   8.064  -1.445
  382    HE2  PHE  74           HE1      PHE  74   6.285  11.760  -1.914
  383    HZ   PHE  74           HZ       PHE  74   8.188  10.283  -2.552
  384    HB2  PHE  74           2HB      PHE  74   4.033   7.910   1.082
  385    HB3  PHE  74           3HB      PHE  74   4.077   9.591   1.480
  386    HA   PRO  75           HA       PRO  75   6.927  12.162   4.219
  387    HB2  PRO  75           2HB      PRO  75   8.299  13.454   2.122
  388    HB3  PRO  75           3HB      PRO  75   8.994  12.471   3.452
  389    HG2  PRO  75           2HG      PRO  75   8.237  11.572   0.665
  390    HG3  PRO  75           3HG      PRO  75   9.751  11.240   1.578
  391    HD2  PRO  75           2HD      PRO  75   7.877   9.388   1.553
  392    HD3  PRO  75           3HD      PRO  75   8.604   9.807   3.111
  393    H    SER  76           H        SER  76   4.888  11.685   1.430
  394    HA   SER  76           HA       SER  76   3.588  14.310   1.997
  395    HG   SER  76           HG       SER  76   4.889  15.352  -1.015
  396    HB2  SER  76           2HB      SER  76   4.110  13.075  -0.700
  397    HB3  SER  76           3HB      SER  76   3.053  14.438  -0.437
  398    H    GLU  77           H        GLU  77   1.502  14.168   2.358
  399    HA   GLU  77           HA       GLU  77   0.061  11.776   2.186
  400    HB2  GLU  77           2HB      GLU  77  -1.980  13.144   2.559
  401    HB3  GLU  77           3HB      GLU  77  -0.676  13.439   3.681
  402    HG2  GLU  77           2HG      GLU  77  -0.087  15.448   2.029
  403    HG3  GLU  77           3HG      GLU  77  -1.742  15.203   1.464
  404    H    GLU  78           H        GLU  78   0.921  13.705  -0.426
  405    HA   GLU  78           HA       GLU  78  -1.075  13.295  -2.375
  406    HB2  GLU  78           2HB      GLU  78   1.962  12.973  -2.580
  407    HB3  GLU  78           3HB      GLU  78   0.873  13.153  -3.955
  408    HG2  GLU  78           2HG      GLU  78   0.305  15.424  -3.289
  409    HG3  GLU  78           3HG      GLU  78   1.171  15.261  -1.767
  410    H    ILE  79           H        ILE  79   1.505  11.023  -1.305
  411    HA   ILE  79           HA       ILE  79   0.606   8.846  -3.004
  412    HB   ILE  79           HB       ILE  79   2.604   8.879  -0.720
  413   HG12  ILE  79          2HG1      ILE  79   2.681   9.854  -3.511
  414   HG13  ILE  79          3HG1      ILE  79   3.562  10.371  -2.142
  415   HG21  ILE  79          1HG2      ILE  79   1.868   6.560  -1.306
  416   HG22  ILE  79          2HG2      ILE  79   2.416   6.842  -2.969
  417   HG23  ILE  79          3HG2      ILE  79   3.570   6.847  -1.612
  418   HD11  ILE  79          3HD1      ILE  79   5.086   9.567  -3.799
  419   HD12  ILE  79          1HD1      ILE  79   5.095   8.348  -2.511
  420   HD13  ILE  79          2HD1      ILE  79   4.194   8.050  -4.009
  421    H    LEU  80           H        LEU  80  -0.046   9.808   0.306
  422    HA   LEU  80           HA       LEU  80  -1.320   7.429   1.205
  423    HG   LEU  80           HG       LEU  80  -3.703   9.890   2.329
  424    HB2  LEU  80           2HB      LEU  80  -0.857   8.903   2.892
  425    HB3  LEU  80           3HB      LEU  80  -1.297  10.309   1.997
  426   HD11  LEU  80          1HD1      LEU  80  -3.467   7.409   2.820
  427   HD12  LEU  80          2HD1      LEU  80  -2.826   7.889   4.413
  428   HD13  LEU  80          3HD1      LEU  80  -4.480   8.331   3.935
  429   HD21  LEU  80          3HD2      LEU  80  -3.726  10.473   4.730
  430   HD22  LEU  80          1HD2      LEU  80  -2.001  10.048   4.843
  431   HD23  LEU  80          2HD2      LEU  80  -2.525  11.410   3.829
  432    H    VAL  81           H        VAL  81  -2.587  10.382  -0.383
  433    HA   VAL  81           HA       VAL  81  -5.375   9.520  -0.300
  434    HB   VAL  81           HB       VAL  81  -3.935  11.771  -1.804
  435   HG11  VAL  81          1HG1      VAL  81  -6.188  12.803  -2.131
  436   HG12  VAL  81          2HG1      VAL  81  -6.002  11.303  -3.034
  437   HG13  VAL  81          3HG1      VAL  81  -6.941  11.311  -1.527
  438   HG21  VAL  81          3HG2      VAL  81  -4.931  13.258  -0.146
  439   HG22  VAL  81          1HG2      VAL  81  -5.781  11.890   0.620
  440   HG23  VAL  81          2HG2      VAL  81  -4.014  12.004   0.683
  441    H    GLU  82           H        GLU  82  -2.787   9.478  -2.712
  442    HA   GLU  82           HA       GLU  82  -4.147   8.369  -4.853
  443    HB2  GLU  82           2HB      GLU  82  -1.454   8.417  -3.539
  444    HB3  GLU  82           3HB      GLU  82  -1.730   7.106  -4.521
  445    HG2  GLU  82           2HG      GLU  82  -1.638  10.031  -5.190
  446    HG3  GLU  82           3HG      GLU  82  -0.581   8.747  -5.776
  447    H    ALA  83           H        ALA  83  -2.303   6.462  -2.336
  448    HA   ALA  83           HA       ALA  83  -3.348   3.934  -2.977
  449    HB1  ALA  83           1HB      ALA  83  -1.516   4.509  -1.330
  450    HB2  ALA  83           2HB      ALA  83  -2.780   4.860  -0.146
  451    HB3  ALA  83           3HB      ALA  83  -2.635   3.221  -0.840
  452    H    LEU  84           H        LEU  84  -4.892   6.303  -0.857
  453    HA   LEU  84           HA       LEU  84  -7.069   4.576   0.060
  454    HG   LEU  84           HG       LEU  84  -5.500   7.503   1.714
  455    HB2  LEU  84           2HB      LEU  84  -6.855   7.623  -0.003
  456    HB3  LEU  84           3HB      LEU  84  -8.139   6.758   0.730
  457   HD11  LEU  84          1HD1      LEU  84  -6.621   7.353   3.849
  458   HD12  LEU  84          2HD1      LEU  84  -7.622   8.196   2.664
  459   HD13  LEU  84          3HD1      LEU  84  -7.999   6.509   3.089
  460   HD21  LEU  84          3HD2      LEU  84  -4.879   5.191   1.499
  461   HD22  LEU  84          1HD2      LEU  84  -5.229   5.525   3.201
  462   HD23  LEU  84          2HD2      LEU  84  -6.434   4.669   2.155
  463    H    GLU  85           H        GLU  85  -6.600   6.529  -2.812
  464    HA   GLU  85           HA       GLU  85  -9.310   5.714  -3.638
  465    HB2  GLU  85           2HB      GLU  85  -7.300   7.640  -4.885
  466    HB3  GLU  85           3HB      GLU  85  -8.897   7.288  -5.568
  467    HG2  GLU  85           2HG      GLU  85 -10.002   8.287  -3.654
  468    HG3  GLU  85           3HG      GLU  85  -8.456   8.584  -2.860
  469    H    ARG  86           H        ARG  86  -6.140   4.456  -3.987
  470    HA   ARG  86           HA       ARG  86  -6.531   3.490  -6.797
  471    HE   ARG  86           HE       ARG  86  -4.213   7.605  -8.065
  472    HB2  ARG  86           2HB      ARG  86  -4.246   4.538  -5.148
  473    HB3  ARG  86           3HB      ARG  86  -3.826   3.273  -6.050
  474    HG2  ARG  86           2HG      ARG  86  -3.392   5.411  -7.204
  475    HG3  ARG  86           3HG      ARG  86  -4.564   4.492  -8.171
  476    HD2  ARG  86           2HD      ARG  86  -6.417   5.772  -7.265
  477    HD3  ARG  86           3HD      ARG  86  -5.339   6.536  -6.080
  478   HH11  ARG  86          1HH2      ARG  86  -7.686   7.259  -7.662
  479   HH12  ARG  86          2HH2      ARG  86  -7.868   8.957  -7.295
  480   HH21  ARG  86          2HH1      ARG  86  -4.633   9.774  -7.891
  481   HH22  ARG  86          1HH1      ARG  86  -6.293  10.342  -7.849
  482    H    LEU  87           H        LEU  87  -5.425   2.555  -3.551
  483    HA   LEU  87           HA       LEU  87  -5.368  -0.255  -4.311
  484    HG   LEU  87           HG       LEU  87  -3.350  -0.682  -4.291
  485    HB2  LEU  87           2HB      LEU  87  -3.938   1.377  -2.254
  486    HB3  LEU  87           3HB      LEU  87  -4.216  -0.321  -2.032
  487   HD11  LEU  87          1HD1      LEU  87  -3.462   1.033  -5.562
  488   HD12  LEU  87          2HD1      LEU  87  -2.803   2.187  -4.331
  489   HD13  LEU  87          3HD1      LEU  87  -1.727   1.055  -5.172
  490   HD21  LEU  87          3HD2      LEU  87  -0.952  -0.493  -3.756
  491   HD22  LEU  87          1HD2      LEU  87  -1.368   0.564  -2.375
  492   HD23  LEU  87          2HD2      LEU  87  -1.902  -1.136  -2.409
  493    H    ASN  88           H        ASN  88  -7.696   1.762  -3.288
  494    HA   ASN  88           HA       ASN  88  -8.553   0.225  -0.979
  495    HB2  ASN  88           2HB      ASN  88  -8.549   2.733  -1.028
  496    HB3  ASN  88           3HB      ASN  88  -9.901   2.658  -2.164
  497   HD21  ASN  88          2HD2      ASN  88 -11.202   3.741  -0.581
  498   HD22  ASN  88          1HD2      ASN  88 -11.702   2.927   0.885
  499    H    ASN  89           H        ASN  89  -9.511  -1.572  -1.225
  500    HA   ASN  89           HA       ASN  89 -10.884  -3.200  -1.709
  501    HB2  ASN  89           2HB      ASN  89 -12.460  -1.533  -0.768
  502    HB3  ASN  89           3HB      ASN  89 -13.034  -1.195  -2.397
  503   HD21  ASN  89          1HD2      ASN  89 -12.463  -3.759   0.043
  504   HD22  ASN  89          2HD2      ASN  89 -13.790  -4.790  -0.484
  505    H    ILE  90           H        ILE  90  -9.080  -3.114  -3.305
  506    HA   ILE  90           HA       ILE  90 -10.047  -3.559  -6.108
  507    HB   ILE  90           HB       ILE  90  -7.730  -2.725  -6.857
  508   HG12  ILE  90          2HG1      ILE  90  -6.953  -1.076  -4.998
  509   HG13  ILE  90          3HG1      ILE  90  -7.319  -2.448  -3.962
  510   HG21  ILE  90          1HG2      ILE  90  -9.291  -0.643  -5.248
  511   HG22  ILE  90          2HG2      ILE  90  -8.372  -0.399  -6.744
  512   HG23  ILE  90          3HG2      ILE  90  -9.897  -1.296  -6.789
  513   HD11  ILE  90          3HD1      ILE  90  -4.996  -2.533  -4.658
  514   HD12  ILE  90          1HD1      ILE  90  -5.862  -3.873  -5.435
  515   HD13  ILE  90          2HD1      ILE  90  -5.447  -2.418  -6.372
  516    H    GLU  91           H        GLU  91  -9.377  -5.183  -7.199
  517    HA   GLU  91           HA       GLU  91  -8.442  -7.436  -5.698
  518    HB2  GLU  91           2HB      GLU  91 -10.174  -7.727  -7.183
  519    HB3  GLU  91           3HB      GLU  91  -9.288  -7.015  -8.493
  520    HG2  GLU  91           2HG      GLU  91  -8.080  -9.461  -7.259
  521    HG3  GLU  91           3HG      GLU  91  -9.607  -9.661  -8.028
  522    H    PHE  92           H        PHE  92  -6.705  -8.141  -5.385
  523    HA   PHE  92           HA       PHE  92  -4.245  -7.001  -6.526
  524    HD1  PHE  92           HD2      PHE  92  -1.991  -7.836  -6.039
  525    HD2  PHE  92           HD1      PHE  92  -3.330  -7.891  -1.932
  526    HE1  PHE  92           HE2      PHE  92   0.339  -8.009  -5.279
  527    HE2  PHE  92           HE1      PHE  92  -0.957  -8.023  -1.191
  528    HZ   PHE  92           HZ       PHE  92   0.863  -7.939  -2.895
  529    HB2  PHE  92           2HB      PHE  92  -4.740  -6.739  -4.117
  530    HB3  PHE  92           3HB      PHE  92  -4.881  -8.367  -3.880
  531    H    ARG  93           H        ARG  93  -4.022  -8.490  -8.329
  532    HA   ARG  93           HA       ARG  93  -3.570 -10.370  -9.473
  533    HE   ARG  93           HE       ARG  93   1.392 -11.494  -4.934
  534    HB2  ARG  93           2HB      ARG  93  -1.571 -11.575  -8.818
  535    HB3  ARG  93           3HB      ARG  93  -1.401  -9.839  -8.507
  536    HG2  ARG  93           2HG      ARG  93  -1.742 -10.157  -6.179
  537    HG3  ARG  93           3HG      ARG  93  -2.063 -11.896  -6.384
  538    HD2  ARG  93           2HD      ARG  93   0.269 -12.218  -7.026
  539    HD3  ARG  93           3HD      ARG  93   0.552 -10.477  -6.982
  540   HH11  ARG  93          2HH2      ARG  93  -2.151 -10.992  -4.624
  541   HH12  ARG  93          1HH2      ARG  93  -1.975 -11.162  -2.890
  542   HH21  ARG  93          1HH1      ARG  93   1.371 -11.657  -2.920
  543   HH22  ARG  93          2HH1      ARG  93  -0.124 -11.582  -1.957
  544    H    GLY  94           H        GLY  94  -5.895 -10.716  -7.750
  545    HA2  GLY  94           2HA      GLY  94  -7.306 -12.731  -7.887
  546    HA3  GLY  94           3HA      GLY  94  -5.940 -13.694  -7.325
  547    H    SER  95           H        SER  95  -5.612 -11.073  -5.298
  548    HA   SER  95           HA       SER  95  -7.458 -12.061  -3.197
  549    HG   SER  95           HG       SER  95  -4.165 -12.045  -1.937
  550    HB2  SER  95           2HB      SER  95  -4.822 -10.505  -3.335
  551    HB3  SER  95           3HB      SER  95  -5.852 -10.497  -1.873
  552    H    VAL  96           H        VAL  96  -7.762  -9.671  -1.893
  553    HA   VAL  96           HA       VAL  96  -7.848  -7.438  -3.726
  554    HB   VAL  96           HB       VAL  96  -9.920  -7.368  -4.307
  555   HG11  VAL  96          1HG1      VAL  96 -11.769  -8.684  -3.488
  556   HG12  VAL  96          2HG1      VAL  96 -10.356  -9.609  -3.983
  557   HG13  VAL  96          3HG1      VAL  96 -10.689  -9.375  -2.236
  558   HG21  VAL  96          3HG2      VAL  96 -11.602  -6.375  -2.977
  559   HG22  VAL  96          1HG2      VAL  96 -10.719  -6.718  -1.477
  560   HG23  VAL  96          2HG2      VAL  96 -10.063  -5.583  -2.679
  561    H    ILE  97           H        ILE  97  -7.640  -5.492  -2.478
  562    HA   ILE  97           HA       ILE  97  -7.351  -5.780   0.481
  563    HB   ILE  97           HB       ILE  97  -5.648  -3.942   0.273
  564   HG12  ILE  97          2HG1      ILE  97  -5.317  -5.082  -2.525
  565   HG13  ILE  97          3HG1      ILE  97  -5.984  -3.493  -2.166
  566   HG21  ILE  97          1HG2      ILE  97  -5.181  -6.237   1.043
  567   HG22  ILE  97          2HG2      ILE  97  -4.805  -6.707  -0.621
  568   HG23  ILE  97          3HG2      ILE  97  -3.810  -5.487   0.240
  569   HD11  ILE  97          3HD1      ILE  97  -3.804  -2.860  -1.100
  570   HD12  ILE  97          1HD1      ILE  97  -3.131  -4.415  -1.665
  571   HD13  ILE  97          2HD1      ILE  97  -3.693  -3.210  -2.830
  572    H    THR  98           H        THR  98  -7.870  -4.059   1.728
  573    HA   THR  98           HA       THR  98  -9.270  -1.674   0.555
  574    HB   THR  98           HB       THR  98  -9.750  -3.148   3.137
  575    HG1  THR  98           1HG      THR  98 -11.703  -3.730   2.249
  576   HG21  THR  98          1HG2      THR  98 -11.663  -1.705   3.527
  577   HG22  THR  98          2HG2      THR  98 -10.201  -0.724   3.412
  578   HG23  THR  98          3HG2      THR  98 -11.328  -0.804   2.036
  579    H    VAL  99           H        VAL  99  -8.563   0.291   1.484
  580    HA   VAL  99           HA       VAL  99  -6.272   0.092   3.359
  581    HB   VAL  99           HB       VAL  99  -4.744   1.263   1.987
  582   HG11  VAL  99          1HG1      VAL  99  -4.985  -1.210   1.638
  583   HG12  VAL  99          2HG1      VAL  99  -6.008  -0.912   0.262
  584   HG13  VAL  99          3HG1      VAL  99  -4.329  -0.359   0.234
  585   HG21  VAL  99          3HG2      VAL  99  -5.289   1.720  -0.398
  586   HG22  VAL  99          1HG2      VAL  99  -6.988   1.354  -0.020
  587   HG23  VAL  99          2HG2      VAL  99  -6.176   2.739   0.734
  588    H    GLU 100           H        GLU 100  -5.673   1.878   4.427
  589    HA   GLU 100           HA       GLU 100  -7.198   4.422   4.173
  590    HB2  GLU 100           2HB      GLU 100  -8.277   4.126   6.393
  591    HB3  GLU 100           3HB      GLU 100  -8.901   2.984   5.229
  592    HG2  GLU 100           2HG      GLU 100  -6.648   1.836   6.765
  593    HG3  GLU 100           3HG      GLU 100  -7.866   2.516   7.831
  594    H    ARG 101           H        ARG 101  -6.673   5.996   5.557
  595    HA   ARG 101           HA       ARG 101  -4.038   6.247   6.684
  596    HE   ARG 101           HE       ARG 101  -6.542  10.410   7.961
  597    HB2  ARG 101           2HB      ARG 101  -4.912   8.315   7.572
  598    HB3  ARG 101           3HB      ARG 101  -5.412   8.126   5.904
  599    HG2  ARG 101           2HG      ARG 101  -7.609   7.076   7.022
  600    HG3  ARG 101           3HG      ARG 101  -7.079   8.014   8.405
  601    HD2  ARG 101           2HD      ARG 101  -7.379   9.251   5.626
  602    HD3  ARG 101           3HD      ARG 101  -8.769   9.003   6.683
  603   HH11  ARG 101          2HH1      ARG 101  -9.413  10.995   6.017
  604   HH12  ARG 101          1HH1      ARG 101  -9.622  12.598   6.676
  605   HH21  ARG 101          2HH2      ARG 101  -6.939  12.344   8.840
  606   HH22  ARG 101          1HH2      ARG 101  -8.217  13.373   8.212
  607    H    ASP 102           H        ASP 102  -3.260   5.722   8.585
  608    HA   ASP 102           HA       ASP 102  -5.082   4.558  10.651
  609    HB2  ASP 102           2HB      ASP 102  -3.415   3.154   9.145
  610    HB3  ASP 102           3HB      ASP 102  -2.208   3.719  10.307
  611    H    ASP 103           H        ASP 103  -2.754   7.030  10.215
  612    HA   ASP 103           HA       ASP 103  -2.501   7.407  13.172
  613    HB2  ASP 103           2HB      ASP 103  -0.247   7.982  12.909
  614    HB3  ASP 103           3HB      ASP 103  -0.455   6.487  12.005
  615    H    ASN 104           H        ASN 104  -3.324   8.975  10.153
  616    HA   ASN 104           HA       ASN 104  -3.924  11.456  11.586
  617    HB2  ASN 104           2HB      ASN 104  -2.803  12.798   9.766
  618    HB3  ASN 104           3HB      ASN 104  -1.700  11.967  10.857
  619   HD21  ASN 104          1HD2      ASN 104  -3.405  10.539   8.060
  620   HD22  ASN 104          2HD2      ASN 104  -1.925  10.302   7.117
  Start of MODEL    8
    1    HA   PRO  25           HA       PRO  25  10.308  14.885   7.256
    2    HB2  PRO  25           2HB      PRO  25  10.131  14.134   4.312
    3    HB3  PRO  25           3HB      PRO  25  11.529  14.818   5.199
    4    HG2  PRO  25           2HG      PRO  25  11.050  12.085   4.843
    5    HG3  PRO  25           3HG      PRO  25  11.980  12.747   6.215
    6    HD2  PRO  25           2HD      PRO  25   9.438  11.396   6.365
    7    HD3  PRO  25           3HD      PRO  25  10.357  12.167   7.675
    8    H    ALA  26           H        ALA  26   9.145  15.793   4.084
    9    HA   ALA  26           HA       ALA  26   7.894  18.227   4.824
   10    HB1  ALA  26           1HB      ALA  26   7.404  16.391   2.430
   11    HB2  ALA  26           2HB      ALA  26   6.984  18.115   2.521
   12    HB3  ALA  26           3HB      ALA  26   8.693  17.613   2.554
   13    H    LYS  27           H        LYS  27   6.579  15.023   4.255
   14    HA   LYS  27           HA       LYS  27   4.475  15.356   6.312
   15    HB2  LYS  27           2HB      LYS  27   3.923  14.929   3.454
   16    HB3  LYS  27           3HB      LYS  27   3.504  13.492   4.343
   17    HG2  LYS  27           2HG      LYS  27   2.463  16.275   4.938
   18    HG3  LYS  27           3HG      LYS  27   1.611  14.993   4.092
   19    HD2  LYS  27           2HD      LYS  27   2.519  14.139   6.772
   20    HD3  LYS  27           3HD      LYS  27   1.484  15.538   6.841
   21    HE2  LYS  27           2HE      LYS  27   0.689  13.075   5.249
   22    HE3  LYS  27           3HE      LYS  27   0.549  13.108   7.011
   23    HZ1  LYS  27           3HZ      LYS  27  -1.510  13.821   6.128
   24    HZ2  LYS  27           1HZ      LYS  27  -0.818  15.122   6.799
   25    HZ3  LYS  27           2HZ      LYS  27  -0.823  14.990   5.161
   26    H    ARG  28           H        ARG  28   3.929  13.285   7.196
   27    HA   ARG  28           HA       ARG  28   5.118  10.927   6.066
   28    HE   ARG  28           HE       ARG  28   6.506   8.379   9.592
   29    HB2  ARG  28           2HB      ARG  28   6.211  10.007   7.835
   30    HB3  ARG  28           3HB      ARG  28   6.963  11.546   7.564
   31    HG2  ARG  28           2HG      ARG  28   6.330  12.441   9.581
   32    HG3  ARG  28           3HG      ARG  28   4.821  11.542   9.678
   33    HD2  ARG  28           2HD      ARG  28   7.602  10.391   9.958
   34    HD3  ARG  28           3HD      ARG  28   6.516  10.729  11.323
   35   HH11  ARG  28          2HH2      ARG  28   4.084  10.335  11.330
   36   HH12  ARG  28          1HH2      ARG  28   2.878   9.078  11.013
   37   HH21  ARG  28          1HH1      ARG  28   4.854   6.877   9.490
   38   HH22  ARG  28          2HH1      ARG  28   3.263   7.358  10.125
   39    H    TYR  29           H        TYR  29   3.948   9.174   6.506
   40    HA   TYR  29           HA       TYR  29   1.488   9.271   8.102
   41    HD1  TYR  29           HD1      TYR  29   0.465   7.032   5.032
   42    HD2  TYR  29           HD2      TYR  29   2.420  10.732   3.854
   43    HE1  TYR  29           HE1      TYR  29   1.169   5.975   2.910
   44    HE2  TYR  29           HE2      TYR  29   2.855   9.760   1.689
   45    HH   TYR  29           HH       TYR  29   2.003   6.305   0.881
   46    HB2  TYR  29           2HB      TYR  29   0.013   9.218   6.173
   47    HB3  TYR  29           3HB      TYR  29   1.026  10.597   5.910
   48    H    ARG  30           H        ARG  30   0.347   7.235   7.899
   49    HA   ARG  30           HA       ARG  30   1.854   5.107   6.493
   50    HE   ARG  30           HE       ARG  30   0.296   2.458   9.736
   51    HB2  ARG  30           2HB      ARG  30   2.375   5.559   9.057
   52    HB3  ARG  30           3HB      ARG  30   0.909   4.684   9.306
   53    HG2  ARG  30           2HG      ARG  30   3.321   3.690   7.712
   54    HG3  ARG  30           3HG      ARG  30   3.174   3.448   9.444
   55    HD2  ARG  30           2HD      ARG  30   1.182   2.381   7.420
   56    HD3  ARG  30           3HD      ARG  30   2.574   1.486   8.010
   57   HH11  ARG  30          2HH2      ARG  30   3.048   0.289   9.521
   58   HH12  ARG  30          1HH2      ARG  30   2.503  -0.647  10.882
   59   HH21  ARG  30          2HH1      ARG  30  -0.420   1.180  11.304
   60   HH22  ARG  30          1HH1      ARG  30   0.568  -0.149  11.876
   61    H    ILE  31           H        ILE  31   0.556   3.774   5.404
   62    HA   ILE  31           HA       ILE  31  -2.403   3.844   5.910
   63    HB   ILE  31           HB       ILE  31  -2.802   3.316   3.557
   64   HG12  ILE  31          2HG1      ILE  31   0.114   3.870   2.978
   65   HG13  ILE  31          3HG1      ILE  31  -0.563   2.236   3.098
   66   HG21  ILE  31          1HG2      ILE  31  -2.322   5.487   2.570
   67   HG22  ILE  31          2HG2      ILE  31  -2.892   5.647   4.217
   68   HG23  ILE  31          3HG2      ILE  31  -1.164   5.847   3.861
   69   HD11  ILE  31          3HD1      ILE  31  -1.276   4.306   1.020
   70   HD12  ILE  31          1HD1      ILE  31  -0.466   2.749   0.798
   71   HD13  ILE  31          2HD1      ILE  31  -2.175   2.785   1.281
   72    H    THR  32           H        THR  32  -3.565   2.074   5.492
   73    HA   THR  32           HA       THR  32  -2.388  -0.696   5.801
   74    HB   THR  32           HB       THR  32  -5.121   0.530   6.164
   75    HG1  THR  32           1HG      THR  32  -3.635   0.923   7.836
   76   HG21  THR  32          1HG2      THR  32  -4.156  -2.348   6.587
   77   HG22  THR  32          2HG2      THR  32  -5.723  -1.715   7.141
   78   HG23  THR  32          3HG2      THR  32  -5.379  -1.795   5.416
   79    H    MET  33           H        MET  33  -2.518  -2.069   4.290
   80    HA   MET  33           HA       MET  33  -4.450  -1.718   2.152
   81    HB2  MET  33           2HB      MET  33  -1.566  -2.571   1.555
   82    HB3  MET  33           3HB      MET  33  -2.922  -2.418   0.427
   83    HG2  MET  33           2HG      MET  33  -2.993   0.065   1.211
   84    HG3  MET  33           3HG      MET  33  -1.437  -0.274   1.894
   85    HE1  MET  33           3HE      MET  33  -0.194  -2.136  -0.447
   86    HE2  MET  33           1HE      MET  33  -1.702  -2.213  -1.385
   87    HE3  MET  33           2HE      MET  33  -0.256  -1.447  -2.085
   88    H    LYS  34           H        LYS  34  -5.734  -3.245   2.368
   89    HA   LYS  34           HA       LYS  34  -4.986  -5.986   3.334
   90    HB2  LYS  34           2HB      LYS  34  -5.063  -4.324   5.190
   91    HB3  LYS  34           3HB      LYS  34  -6.459  -3.588   4.398
   92    HG2  LYS  34           2HG      LYS  34  -7.009  -6.163   5.521
   93    HG3  LYS  34           3HG      LYS  34  -6.675  -4.761   6.583
   94    HD2  LYS  34           2HD      LYS  34  -8.802  -4.666   4.380
   95    HD3  LYS  34           3HD      LYS  34  -9.151  -5.082   5.996
   96    HE2  LYS  34           2HE      LYS  34  -9.506  -2.843   6.267
   97    HE3  LYS  34           3HE      LYS  34  -7.743  -2.740   6.421
   98    HZ1  LYS  34           3HZ      LYS  34  -7.730  -1.478   4.597
   99    HZ2  LYS  34           1HZ      LYS  34  -8.401  -2.655   3.675
  100    HZ3  LYS  34           2HZ      LYS  34  -9.298  -1.507   4.496
  101    H    ASN  35           H        ASN  35  -6.739  -7.389   3.199
  102    HA   ASN  35           HA       ASN  35  -9.265  -6.622   3.511
  103    HB2  ASN  35           2HB      ASN  35  -9.676  -5.610   1.432
  104    HB3  ASN  35           3HB      ASN  35  -8.613  -6.697   0.600
  105   HD21  ASN  35          1HD2      ASN  35  -9.635  -7.979  -0.779
  106   HD22  ASN  35          2HD2      ASN  35 -11.312  -8.518  -0.610
  107    H    LEU  36           H        LEU  36 -10.733  -8.615   3.580
  108    HA   LEU  36           HA       LEU  36  -9.409 -10.669   4.795
  109    HG   LEU  36           HG       LEU  36 -12.023  -8.945   5.151
  110    HB2  LEU  36           2HB      LEU  36 -12.163 -10.822   3.550
  111    HB3  LEU  36           3HB      LEU  36 -11.520 -11.928   4.757
  112   HD11  LEU  36          1HD1      LEU  36 -14.065 -10.324   5.025
  113   HD12  LEU  36          2HD1      LEU  36 -13.428 -11.388   6.302
  114   HD13  LEU  36          3HD1      LEU  36 -13.803  -9.686   6.658
  115   HD21  LEU  36          3HD2      LEU  36 -10.140  -9.602   6.570
  116   HD22  LEU  36          1HD2      LEU  36 -11.585  -9.409   7.563
  117   HD23  LEU  36          2HD2      LEU  36 -11.025 -11.040   7.131
  118    HA   PRO  37           HA       PRO  37  -9.317 -13.786   1.234
  119    HB2  PRO  37           2HB      PRO  37  -9.746 -13.066  -1.388
  120    HB3  PRO  37           3HB      PRO  37 -11.036 -13.536  -0.242
  121    HG2  PRO  37           2HG      PRO  37 -10.079 -10.732  -0.907
  122    HG3  PRO  37           3HG      PRO  37 -11.763 -11.363  -0.953
  123    HD2  PRO  37           2HD      PRO  37 -10.908 -10.051   1.222
  124    HD3  PRO  37           3HD      PRO  37 -11.862 -11.538   1.401
  125    H    GLU  38           H        GLU  38  -7.405 -11.139   1.666
  126    HA   GLU  38           HA       GLU  38  -5.214 -12.377   0.059
  127    HB2  GLU  38           2HB      GLU  38  -6.072 -10.268  -1.024
  128    HB3  GLU  38           3HB      GLU  38  -5.606  -9.396   0.423
  129    HG2  GLU  38           2HG      GLU  38  -4.026  -9.161  -1.468
  130    HG3  GLU  38           3HG      GLU  38  -3.300  -9.726   0.032
  131    H    GLY  39           H        GLY  39  -3.298 -12.515   0.953
  132    HA2  GLY  39           2HA      GLY  39  -2.915 -11.625   3.810
  133    HA3  GLY  39           3HA      GLY  39  -2.302 -13.132   3.129
  134    H    CYS  40           H        CYS  40  -1.657 -11.745   0.561
  135    HA   CYS  40           HA       CYS  40   0.194 -11.184  -0.477
  136    HG   CYS  40           HG       CYS  40  -0.664  -9.145   2.543
  137    HB2  CYS  40           2HB      CYS  40   0.560  -8.818  -0.507
  138    HB3  CYS  40           3HB      CYS  40  -1.140  -9.144  -0.244
  139    H    SER  41           H        SER  41   2.319  -9.429   0.053
  140    HA   SER  41           HA       SER  41   3.863 -10.042   2.393
  141    HG   SER  41           HG       SER  41   3.502 -12.339   1.436
  142    HB2  SER  41           2HB      SER  41   5.100 -10.916  -0.237
  143    HB3  SER  41           3HB      SER  41   5.796 -11.035   1.382
  144    H    TRP  42           H        TRP  42   6.045  -8.632   2.207
  145    HA   TRP  42           HA       TRP  42   5.297  -6.148   1.047
  146    HD1  TRP  42           HD1      TRP  42   9.891  -5.138   1.726
  147    HE1  TRP  42           HE1      TRP  42  10.095  -2.863   0.565
  148    HE3  TRP  42           HE3      TRP  42   4.917  -4.224   0.742
  149    HZ2  TRP  42           HZ2      TRP  42   8.366  -1.077  -0.942
  150    HZ3  TRP  42           HZ3      TRP  42   4.271  -2.350  -0.675
  151    HH2  TRP  42           HH2      TRP  42   5.937  -0.746  -1.490
  152    HB2  TRP  42           2HB      TRP  42   6.924  -6.164   2.858
  153    HB3  TRP  42           3HB      TRP  42   8.093  -6.972   1.829
  154    H    GLN  43           H        GLN  43   7.550  -8.613  -0.248
  155    HA   GLN  43           HA       GLN  43   8.159  -7.147  -2.534
  156    HB2  GLN  43           2HB      GLN  43   8.835  -9.267  -3.560
  157    HB3  GLN  43           3HB      GLN  43   9.436  -9.122  -1.920
  158    HG2  GLN  43           2HG      GLN  43   6.916 -10.728  -2.554
  159    HG3  GLN  43           3HG      GLN  43   8.525 -11.390  -2.760
  160   HE21  GLN  43          2HE2      GLN  43   7.698 -13.046  -1.193
  161   HE22  GLN  43          1HE2      GLN  43   7.837 -12.664   0.505
  162    H    ASP  44           H        ASP  44   5.190  -8.752  -1.844
  163    HA   ASP  44           HA       ASP  44   4.155  -9.067  -4.568
  164    HB2  ASP  44           2HB      ASP  44   3.480  -9.851  -1.881
  165    HB3  ASP  44           3HB      ASP  44   2.242  -8.774  -2.323
  166    H    LEU  45           H        LEU  45   3.640  -7.010  -1.738
  167    HA   LEU  45           HA       LEU  45   1.733  -5.419  -3.001
  168    HG   LEU  45           HG       LEU  45   1.407  -6.683  -0.310
  169    HB2  LEU  45           2HB      LEU  45   3.362  -5.266  -0.458
  170    HB3  LEU  45           3HB      LEU  45   2.401  -3.893  -0.936
  171   HD11  LEU  45          1HD1      LEU  45   0.275  -5.418   1.559
  172   HD12  LEU  45          2HD1      LEU  45   2.032  -5.223   1.585
  173   HD13  LEU  45          3HD1      LEU  45   1.027  -3.912   0.954
  174   HD21  LEU  45          3HD2      LEU  45  -0.101  -5.872  -2.038
  175   HD22  LEU  45          1HD2      LEU  45  -0.912  -5.662  -0.491
  176   HD23  LEU  45          2HD2      LEU  45  -0.167  -4.267  -1.308
  177    H    LYS  46           H        LYS  46   5.186  -5.009  -2.407
  178    HA   LYS  46           HA       LYS  46   5.659  -2.418  -3.458
  179    HB2  LYS  46           2HB      LYS  46   7.315  -3.824  -2.199
  180    HB3  LYS  46           3HB      LYS  46   7.376  -4.965  -3.507
  181    HG2  LYS  46           2HG      LYS  46   9.305  -3.356  -3.305
  182    HG3  LYS  46           3HG      LYS  46   8.600  -3.478  -4.913
  183    HD2  LYS  46           2HD      LYS  46   7.728  -1.287  -4.852
  184    HD3  LYS  46           3HD      LYS  46   7.545  -1.309  -3.159
  185    HE2  LYS  46           2HE      LYS  46   9.991  -1.122  -2.809
  186    HE3  LYS  46           3HE      LYS  46  10.264  -1.241  -4.548
  187    HZ1  LYS  46           3HZ      LYS  46   8.662   0.955  -3.361
  188    HZ2  LYS  46           1HZ      LYS  46  10.277   1.053  -3.594
  189    HZ3  LYS  46           2HZ      LYS  46   9.230   0.893  -4.877
  190    H    ASP  47           H        ASP  47   5.632  -5.645  -5.050
  191    HA   ASP  47           HA       ASP  47   6.163  -4.622  -7.602
  192    HB2  ASP  47           2HB      ASP  47   5.658  -7.167  -6.624
  193    HB3  ASP  47           3HB      ASP  47   4.189  -6.901  -7.493
  194    H    LEU  48           H        LEU  48   2.896  -5.440  -6.392
  195    HA   LEU  48           HA       LEU  48   1.575  -4.250  -8.536
  196    HG   LEU  48           HG       LEU  48  -0.998  -3.733  -8.106
  197    HB2  LEU  48           2HB      LEU  48   0.358  -5.647  -7.039
  198    HB3  LEU  48           3HB      LEU  48   0.641  -4.588  -5.663
  199   HD11  LEU  48          1HD1      LEU  48  -2.255  -5.520  -7.134
  200   HD12  LEU  48          2HD1      LEU  48  -1.960  -4.901  -5.467
  201   HD13  LEU  48          3HD1      LEU  48  -3.006  -4.034  -6.577
  202   HD21  LEU  48          3HD2      LEU  48  -2.013  -2.207  -6.326
  203   HD22  LEU  48          1HD2      LEU  48  -0.593  -2.619  -5.347
  204   HD23  LEU  48          2HD2      LEU  48  -0.447  -1.801  -6.941
  205    H    ALA  49           H        ALA  49   2.625  -2.625  -5.506
  206    HA   ALA  49           HA       ALA  49   1.440  -0.155  -6.047
  207    HB1  ALA  49           1HB      ALA  49   3.868  -1.082  -4.510
  208    HB2  ALA  49           2HB      ALA  49   3.446   0.617  -4.572
  209    HB3  ALA  49           3HB      ALA  49   2.253  -0.538  -3.917
  210    H    ARG  50           H        ARG  50   4.586  -1.377  -7.266
  211    HA   ARG  50           HA       ARG  50   5.371   1.193  -8.481
  212    HE   ARG  50           HE       ARG  50   7.788  -3.753  -7.810
  213    HB2  ARG  50           2HB      ARG  50   6.061  -1.672  -9.122
  214    HB3  ARG  50           3HB      ARG  50   6.894  -0.264  -9.809
  215    HG2  ARG  50           2HG      ARG  50   7.846   0.365  -7.750
  216    HG3  ARG  50           3HG      ARG  50   6.758  -0.606  -6.812
  217    HD2  ARG  50           2HD      ARG  50   9.310  -1.298  -8.041
  218    HD3  ARG  50           3HD      ARG  50   8.502  -1.887  -6.580
  219   HH11  ARG  50          1HH1      ARG  50   8.909  -1.420 -10.225
  220   HH12  ARG  50          2HH1      ARG  50   8.440  -2.473 -11.533
  221   HH21  ARG  50          1HH2      ARG  50   7.383  -5.037  -9.616
  222   HH22  ARG  50          2HH2      ARG  50   7.105  -4.188 -11.125
  223    H    GLU  51           H        GLU  51   3.775  -1.767  -9.503
  224    HA   GLU  51           HA       GLU  51   3.021  -1.066 -12.151
  225    HB2  GLU  51           2HB      GLU  51   1.195  -2.636 -10.336
  226    HB3  GLU  51           3HB      GLU  51   1.096  -2.482 -11.983
  227    HG2  GLU  51           2HG      GLU  51   3.215  -3.736 -10.235
  228    HG3  GLU  51           3HG      GLU  51   2.271  -4.640 -11.280
  229    H    ASN  52           H        ASN  52   1.670   0.076  -9.247
  230    HA   ASN  52           HA       ASN  52  -0.632   1.322 -10.628
  231    HB2  ASN  52           2HB      ASN  52   0.080   0.165  -7.939
  232    HB3  ASN  52           3HB      ASN  52  -1.043   1.405  -7.957
  233   HD21  ASN  52          2HD2      ASN  52  -0.374  -1.749  -9.284
  234   HD22  ASN  52          1HD2      ASN  52  -2.073  -2.183  -9.483
  235    H    SER  53           H        SER  53   2.308   2.405  -9.243
  236    HA   SER  53           HA       SER  53   3.231   4.478  -9.739
  237    HG   SER  53           HG       SER  53   0.349   4.782 -11.324
  238    HB2  SER  53           2HB      SER  53   0.540   5.865  -9.406
  239    HB3  SER  53           3HB      SER  53   2.089   6.546  -9.922
  240    H    LEU  54           H        LEU  54   2.214   3.050  -7.186
  241    HA   LEU  54           HA       LEU  54   2.114   5.049  -5.052
  242    HG   LEU  54           HG       LEU  54   0.421   1.869  -4.046
  243    HB2  LEU  54           2HB      LEU  54   2.066   2.105  -5.423
  244    HB3  LEU  54           3HB      LEU  54   2.914   2.585  -3.973
  245   HD11  LEU  54          1HD1      LEU  54   0.088   2.976  -1.915
  246   HD12  LEU  54          2HD1      LEU  54   1.738   2.429  -2.044
  247   HD13  LEU  54          3HD1      LEU  54   1.380   4.155  -2.286
  248   HD21  LEU  54          3HD2      LEU  54   0.009   4.859  -4.288
  249   HD22  LEU  54          1HD2      LEU  54  -0.198   3.728  -5.649
  250   HD23  LEU  54          2HD2      LEU  54  -1.168   3.530  -4.203
  251    H    GLU  55           H        GLU  55   4.598   2.776  -6.298
  252    HA   GLU  55           HA       GLU  55   6.606   2.197  -5.633
  253    HB2  GLU  55           2HB      GLU  55   7.147   3.926  -7.078
  254    HB3  GLU  55           3HB      GLU  55   6.631   5.167  -5.945
  255    HG2  GLU  55           2HG      GLU  55   8.854   5.299  -6.082
  256    HG3  GLU  55           3HG      GLU  55   8.513   4.694  -4.485
  257    H    THR  56           H        THR  56   5.894   4.763  -3.585
  258    HA   THR  56           HA       THR  56   6.332   5.426  -1.491
  259    HB   THR  56           HB       THR  56   5.545   4.137   0.258
  260    HG1  THR  56           1HG      THR  56   6.262   1.907  -1.354
  261   HG21  THR  56          1HG2      THR  56   3.515   3.176  -0.424
  262   HG22  THR  56          2HG2      THR  56   3.839   4.462  -1.579
  263   HG23  THR  56          3HG2      THR  56   4.135   2.773  -2.033
  264    H    THR  57           H        THR  57   7.544   4.729   0.763
  265    HA   THR  57           HA       THR  57  10.403   4.304   0.108
  266    HB   THR  57           HB       THR  57   9.129   4.644   2.843
  267    HG1  THR  57           1HG      THR  57  10.109   6.663   1.099
  268   HG21  THR  57          1HG2      THR  57  11.910   5.301   1.773
  269   HG22  THR  57          2HG2      THR  57  11.301   5.697   3.403
  270   HG23  THR  57          3HG2      THR  57  11.489   4.005   2.918
  271    H    PHE  58           H        PHE  58   7.734   2.755   1.886
  272    HA   PHE  58           HA       PHE  58   8.932   0.127   2.008
  273    HD1  PHE  58           HD2      PHE  58   8.260   3.144   5.244
  274    HD2  PHE  58           HD1      PHE  58   9.187  -1.045   5.555
  275    HE1  PHE  58           HE2      PHE  58   7.174   3.068   7.503
  276    HE2  PHE  58           HE1      PHE  58   8.107  -1.127   7.800
  277    HZ   PHE  58           HZ       PHE  58   7.096   0.933   8.767
  278    HB2  PHE  58           2HB      PHE  58  10.196   0.388   3.822
  279    HB3  PHE  58           3HB      PHE  58   9.903   2.094   3.820
  280    H    SER  59           H        SER  59   7.719  -1.316   3.424
  281    HA   SER  59           HA       SER  59   5.224  -0.319   4.610
  282    HG   SER  59           HG       SER  59   3.867  -3.389   3.625
  283    HB2  SER  59           2HB      SER  59   4.394  -0.941   2.535
  284    HB3  SER  59           3HB      SER  59   5.336  -2.426   2.495
  285    H    SER  60           H        SER  60   4.527  -1.526   6.276
  286    HA   SER  60           HA       SER  60   6.185  -3.683   7.478
  287    HG   SER  60           HG       SER  60   5.606  -1.048   8.450
  288    HB2  SER  60           2HB      SER  60   3.621  -2.257   8.311
  289    HB3  SER  60           3HB      SER  60   4.413  -3.533   9.262
  290    H    VAL  61           H        VAL  61   5.866  -5.670   6.513
  291    HA   VAL  61           HA       VAL  61   3.128  -6.774   6.298
  292    HB   VAL  61           HB       VAL  61   4.973  -7.492   4.046
  293   HG11  VAL  61          1HG1      VAL  61   2.812  -8.729   4.222
  294   HG12  VAL  61          2HG1      VAL  61   1.937  -7.200   4.272
  295   HG13  VAL  61          3HG1      VAL  61   2.779  -7.688   2.809
  296   HG21  VAL  61          3HG2      VAL  61   5.047  -5.085   3.801
  297   HG22  VAL  61          1HG2      VAL  61   3.974  -5.766   2.574
  298   HG23  VAL  61          2HG2      VAL  61   3.272  -5.005   3.996
  299    H    ASN  62           H        ASN  62   3.260  -9.155   5.871
  300    HA   ASN  62           HA       ASN  62   3.793 -11.248   6.455
  301    HB2  ASN  62           2HB      ASN  62   6.642 -10.289   6.817
  302    HB3  ASN  62           3HB      ASN  62   6.115 -11.966   6.738
  303   HD21  ASN  62          1HD2      ASN  62   7.625  -9.697   4.954
  304   HD22  ASN  62          2HD2      ASN  62   7.213 -10.332   3.372
  305    H    THR  63           H        THR  63   4.733  -8.690   8.660
  306    HA   THR  63           HA       THR  63   4.530 -10.096  11.154
  307    HB   THR  63           HB       THR  63   3.877  -7.797  12.010
  308    HG1  THR  63           1HG      THR  63   2.932  -7.041  10.050
  309   HG21  THR  63          1HG2      THR  63   6.060  -6.769  11.596
  310   HG22  THR  63          2HG2      THR  63   6.264  -8.511  11.865
  311   HG23  THR  63          3HG2      THR  63   6.349  -7.850  10.220
  312    H    ARG  64           H        ARG  64   2.796 -11.215  11.840
  313    HA   ARG  64           HA       ARG  64   0.475 -11.500  10.291
  314    HE   ARG  64           HE       ARG  64  -0.486 -15.299  11.491
  315    HB2  ARG  64           2HB      ARG  64   0.892 -12.200  13.224
  316    HB3  ARG  64           3HB      ARG  64  -0.431 -12.802  12.231
  317    HG2  ARG  64           2HG      ARG  64   2.526 -13.322  11.667
  318    HG3  ARG  64           3HG      ARG  64   1.470 -14.420  12.533
  319    HD2  ARG  64           2HD      ARG  64   0.980 -13.542   9.657
  320    HD3  ARG  64           3HD      ARG  64   1.872 -14.996  10.124
  321   HH11  ARG  64          1HH1      ARG  64   0.150 -14.766   8.089
  322   HH12  ARG  64          2HH1      ARG  64  -1.361 -15.479   7.600
  323   HH21  ARG  64          2HH2      ARG  64  -2.338 -16.314  10.782
  324   HH22  ARG  64          1HH2      ARG  64  -2.698 -16.373   9.070
  325    H    ASP  65           H        ASP  65  -1.573 -10.983  10.389
  326    HA   ASP  65           HA       ASP  65  -2.534  -8.732  12.136
  327    HB2  ASP  65           2HB      ASP  65  -1.775  -8.179   9.674
  328    HB3  ASP  65           3HB      ASP  65  -3.248  -9.013   9.196
  329    H    PHE  66           H        PHE  66  -5.163  -9.039  10.474
  330    HA   PHE  66           HA       PHE  66  -6.513 -11.168  11.792
  331    HD1  PHE  66           HD1      PHE  66  -6.033  -8.600   8.267
  332    HD2  PHE  66           HD2      PHE  66  -8.385 -12.213   8.430
  333    HE1  PHE  66           HE1      PHE  66  -5.688  -8.945   5.817
  334    HE2  PHE  66           HE2      PHE  66  -8.041 -12.547   6.004
  335    HZ   PHE  66           HZ       PHE  66  -6.715 -10.914   4.690
  336    HB2  PHE  66           2HB      PHE  66  -8.266 -10.741  10.342
  337    HB3  PHE  66           3HB      PHE  66  -7.407  -9.205  10.299
  338    H    ASP  67           H        ASP  67  -4.471 -11.070   8.928
  339    HA   ASP  67           HA       ASP  67  -3.558 -13.738   9.392
  340    HB2  ASP  67           2HB      ASP  67  -5.562 -14.206   7.875
  341    HB3  ASP  67           3HB      ASP  67  -4.742 -13.291   6.608
  342    H    GLY  68           H        GLY  68  -3.712 -11.352   6.672
  343    HA2  GLY  68           2HA      GLY  68  -1.151 -10.222   7.418
  344    HA3  GLY  68           3HA      GLY  68  -1.107 -11.055   5.867
  345    H    THR  69           H        THR  69  -1.119  -8.260   6.947
  346    HA   THR  69           HA       THR  69  -2.445  -6.987   4.595
  347    HB   THR  69           HB       THR  69  -3.039  -5.054   5.846
  348    HG1  THR  69           1HG      THR  69  -2.719  -5.691   8.394
  349   HG21  THR  69          1HG2      THR  69  -4.719  -6.851   5.953
  350   HG22  THR  69          2HG2      THR  69  -4.012  -7.445   7.472
  351   HG23  THR  69          3HG2      THR  69  -4.750  -5.833   7.414
  352    H    GLY  70           H        GLY  70  -1.347  -5.042   3.961
  353    HA2  GLY  70           2HA      GLY  70   1.452  -4.827   4.984
  354    HA3  GLY  70           3HA      GLY  70   0.953  -4.276   3.386
  355    H    ALA  71           H        ALA  71   2.207  -2.729   5.464
  356    HA   ALA  71           HA       ALA  71   0.228  -0.594   5.294
  357    HB1  ALA  71           1HB      ALA  71  -0.084  -1.657   7.530
  358    HB2  ALA  71           2HB      ALA  71   1.598  -1.259   7.929
  359    HB3  ALA  71           3HB      ALA  71   0.399   0.031   7.633
  360    H    LEU  72           H        LEU  72   1.117   0.913   4.155
  361    HA   LEU  72           HA       LEU  72   3.997   0.987   3.568
  362    HG   LEU  72           HG       LEU  72   1.813   1.299   0.453
  363    HB2  LEU  72           2HB      LEU  72   1.631   2.433   2.458
  364    HB3  LEU  72           3HB      LEU  72   3.219   2.651   1.909
  365   HD11  LEU  72          1HD1      LEU  72   4.559   0.780   1.224
  366   HD12  LEU  72          2HD1      LEU  72   3.758  -0.649   0.543
  367   HD13  LEU  72          3HD1      LEU  72   3.793   0.845  -0.367
  368   HD21  LEU  72          3HD2      LEU  72   1.349  -1.005   0.811
  369   HD22  LEU  72          1HD2      LEU  72   2.118  -0.986   2.398
  370   HD23  LEU  72          2HD2      LEU  72   0.639  -0.058   2.129
  371    H    GLU  73           H        GLU  73   5.140   3.057   3.513
  372    HA   GLU  73           HA       GLU  73   3.818   5.479   4.742
  373    HB2  GLU  73           2HB      GLU  73   4.990   4.548   6.545
  374    HB3  GLU  73           3HB      GLU  73   6.443   4.275   5.607
  375    HG2  GLU  73           2HG      GLU  73   7.142   6.456   5.660
  376    HG3  GLU  73           3HG      GLU  73   5.539   7.116   5.887
  377    H    PHE  74           H        PHE  74   4.634   7.540   3.945
  378    HA   PHE  74           HA       PHE  74   7.005   7.525   2.259
  379    HD1  PHE  74           HD2      PHE  74   7.282   6.633   0.118
  380    HD2  PHE  74           HD1      PHE  74   5.690  10.563  -0.408
  381    HE1  PHE  74           HE2      PHE  74   9.064   7.107  -1.563
  382    HE2  PHE  74           HE1      PHE  74   7.494  11.094  -2.014
  383    HZ   PHE  74           HZ       PHE  74   9.178   9.361  -2.614
  384    HB2  PHE  74           2HB      PHE  74   4.663   7.431   0.802
  385    HB3  PHE  74           3HB      PHE  74   4.727   9.122   1.138
  386    HA   PRO  75           HA       PRO  75   7.815  11.657   3.940
  387    HB2  PRO  75           2HB      PRO  75   8.919  11.974   1.132
  388    HB3  PRO  75           3HB      PRO  75   9.593  12.606   2.662
  389    HG2  PRO  75           2HG      PRO  75  10.576  10.321   1.653
  390    HG3  PRO  75           3HG      PRO  75  10.155  10.380   3.402
  391    HD2  PRO  75           2HD      PRO  75   8.589   9.215   1.122
  392    HD3  PRO  75           3HD      PRO  75   8.849   8.565   2.770
  393    H    SER  76           H        SER  76   5.545  11.249   1.327
  394    HA   SER  76           HA       SER  76   4.585  14.055   1.684
  395    HG   SER  76           HG       SER  76   6.253  14.633  -1.391
  396    HB2  SER  76           2HB      SER  76   4.891  12.621  -0.921
  397    HB3  SER  76           3HB      SER  76   4.168  14.249  -0.702
  398    H    GLU  77           H        GLU  77   2.412  14.059   2.032
  399    HA   GLU  77           HA       GLU  77   0.752  11.805   1.888
  400    HB2  GLU  77           2HB      GLU  77  -1.153  13.362   2.048
  401    HB3  GLU  77           3HB      GLU  77   0.119  13.657   3.219
  402    HG2  GLU  77           2HG      GLU  77   0.973  15.531   1.758
  403    HG3  GLU  77           3HG      GLU  77  -0.339  15.208   0.628
  404    H    GLU  78           H        GLU  78   1.840  13.688  -0.768
  405    HA   GLU  78           HA       GLU  78  -0.046  13.347  -2.789
  406    HB2  GLU  78           2HB      GLU  78   2.966  12.811  -2.865
  407    HB3  GLU  78           3HB      GLU  78   1.947  13.066  -4.287
  408    HG2  GLU  78           2HG      GLU  78   1.474  15.371  -3.574
  409    HG3  GLU  78           3HG      GLU  78   2.391  15.133  -2.083
  410    H    ILE  79           H        ILE  79   2.329  10.904  -1.649
  411    HA   ILE  79           HA       ILE  79   1.405   8.857  -3.483
  412    HB   ILE  79           HB       ILE  79   3.245   8.665  -1.063
  413   HG12  ILE  79          2HG1      ILE  79   3.574   9.772  -3.761
  414   HG13  ILE  79          3HG1      ILE  79   4.423  10.126  -2.324
  415   HG21  ILE  79          1HG2      ILE  79   2.438   6.445  -1.701
  416   HG22  ILE  79          2HG2      ILE  79   2.844   6.770  -3.397
  417   HG23  ILE  79          3HG2      ILE  79   4.123   6.615  -2.171
  418   HD11  ILE  79          3HD1      ILE  79   5.964   9.285  -3.981
  419   HD12  ILE  79          1HD1      ILE  79   5.805   7.982  -2.791
  420   HD13  ILE  79          2HD1      ILE  79   4.947   7.893  -4.338
  421    H    LEU  80           H        LEU  80   0.714   9.661  -0.143
  422    HA   LEU  80           HA       LEU  80  -0.745   7.366   0.608
  423    HG   LEU  80           HG       LEU  80  -2.945  10.030   1.701
  424    HB2  LEU  80           2HB      LEU  80  -0.268   8.702   2.371
  425    HB3  LEU  80           3HB      LEU  80  -0.452  10.180   1.521
  426   HD11  LEU  80          1HD1      LEU  80  -2.373   7.916   3.784
  427   HD12  LEU  80          2HD1      LEU  80  -3.952   8.551   3.260
  428   HD13  LEU  80          3HD1      LEU  80  -3.013   7.537   2.155
  429   HD21  LEU  80          3HD2      LEU  80  -1.649  11.386   3.279
  430   HD22  LEU  80          1HD2      LEU  80  -3.040  10.612   4.067
  431   HD23  LEU  80          2HD2      LEU  80  -1.407   9.957   4.309
  432    H    VAL  81           H        VAL  81  -1.770  10.453  -0.891
  433    HA   VAL  81           HA       VAL  81  -4.621   9.814  -0.879
  434    HB   VAL  81           HB       VAL  81  -2.966  12.016  -2.234
  435   HG11  VAL  81          1HG1      VAL  81  -5.110  13.257  -2.555
  436   HG12  VAL  81          2HG1      VAL  81  -5.036  11.795  -3.536
  437   HG13  VAL  81          3HG1      VAL  81  -6.007  11.809  -2.041
  438   HG21  VAL  81          3HG2      VAL  81  -3.835  13.497  -0.526
  439   HG22  VAL  81          1HG2      VAL  81  -4.865  12.199   0.133
  440   HG23  VAL  81          2HG2      VAL  81  -3.101  12.107   0.266
  441    H    GLU  82           H        GLU  82  -2.002   9.717  -3.278
  442    HA   GLU  82           HA       GLU  82  -3.408   8.860  -5.500
  443    HB2  GLU  82           2HB      GLU  82  -0.739   8.590  -4.133
  444    HB3  GLU  82           3HB      GLU  82  -1.116   7.365  -5.199
  445    HG2  GLU  82           2HG      GLU  82  -0.649  10.277  -5.686
  446    HG3  GLU  82           3HG      GLU  82   0.173   8.894  -6.394
  447    H    ALA  83           H        ALA  83  -1.797   6.663  -3.059
  448    HA   ALA  83           HA       ALA  83  -3.048   4.267  -3.883
  449    HB1  ALA  83           1HB      ALA  83  -2.363   3.386  -1.806
  450    HB2  ALA  83           2HB      ALA  83  -1.223   4.723  -2.113
  451    HB3  ALA  83           3HB      ALA  83  -2.538   4.948  -0.963
  452    H    LEU  84           H        LEU  84  -4.410   6.591  -1.636
  453    HA   LEU  84           HA       LEU  84  -6.738   5.005  -0.857
  454    HG   LEU  84           HG       LEU  84  -4.995   7.756   0.961
  455    HB2  LEU  84           2HB      LEU  84  -6.288   8.025  -0.771
  456    HB3  LEU  84           3HB      LEU  84  -7.647   7.234  -0.085
  457   HD11  LEU  84          1HD1      LEU  84  -7.549   6.794   2.249
  458   HD12  LEU  84          2HD1      LEU  84  -6.132   7.491   3.087
  459   HD13  LEU  84          3HD1      LEU  84  -7.066   8.484   1.955
  460   HD21  LEU  84          3HD2      LEU  84  -6.025   4.930   1.199
  461   HD22  LEU  84          1HD2      LEU  84  -4.443   5.458   0.605
  462   HD23  LEU  84          2HD2      LEU  84  -4.811   5.672   2.324
  463    H    GLU  85           H        GLU  85  -6.066   7.111  -3.595
  464    HA   GLU  85           HA       GLU  85  -8.782   6.513  -4.549
  465    HB2  GLU  85           2HB      GLU  85  -6.607   8.333  -5.675
  466    HB3  GLU  85           3HB      GLU  85  -8.224   8.154  -6.372
  467    HG2  GLU  85           2HG      GLU  85  -9.251   9.162  -4.421
  468    HG3  GLU  85           3HG      GLU  85  -7.693   9.281  -3.608
  469    H    ARG  86           H        ARG  86  -5.700   5.046  -4.896
  470    HA   ARG  86           HA       ARG  86  -6.072   4.322  -7.780
  471    HE   ARG  86           HE       ARG  86  -3.480   8.321  -8.709
  472    HB2  ARG  86           2HB      ARG  86  -3.757   5.099  -6.043
  473    HB3  ARG  86           3HB      ARG  86  -3.410   3.828  -6.978
  474    HG2  ARG  86           2HG      ARG  86  -2.757   5.900  -8.054
  475    HG3  ARG  86           3HG      ARG  86  -4.002   5.144  -9.074
  476    HD2  ARG  86           2HD      ARG  86  -5.771   6.494  -8.177
  477    HD3  ARG  86           3HD      ARG  86  -4.724   7.107  -6.889
  478   HH11  ARG  86          2HH1      ARG  86  -6.994   8.014  -8.600
  479   HH12  ARG  86          1HH1      ARG  86  -7.157   9.655  -7.995
  480   HH21  ARG  86          2HH2      ARG  86  -3.907  10.462  -8.158
  481   HH22  ARG  86          1HH2      ARG  86  -5.570  11.017  -8.032
  482    H    LEU  87           H        LEU  87  -5.562   2.982  -4.554
  483    HA   LEU  87           HA       LEU  87  -5.748   0.272  -5.667
  484    HG   LEU  87           HG       LEU  87  -3.468  -0.213  -5.763
  485    HB2  LEU  87           2HB      LEU  87  -4.088   1.430  -3.390
  486    HB3  LEU  87           3HB      LEU  87  -4.504  -0.217  -3.502
  487   HD11  LEU  87          1HD1      LEU  87  -1.619   1.653  -5.909
  488   HD12  LEU  87          2HD1      LEU  87  -3.192   1.608  -6.739
  489   HD13  LEU  87          3HD1      LEU  87  -2.976   2.557  -5.221
  490   HD21  LEU  87          3HD2      LEU  87  -1.651   0.532  -3.447
  491   HD22  LEU  87          1HD2      LEU  87  -2.248  -1.106  -3.814
  492   HD23  LEU  87          2HD2      LEU  87  -1.131  -0.305  -4.925
  493    H    ASN  88           H        ASN  88  -7.733   2.466  -4.138
  494    HA   ASN  88           HA       ASN  88  -8.545   0.770  -1.971
  495    HB2  ASN  88           2HB      ASN  88  -8.791   3.238  -1.925
  496    HB3  ASN  88           3HB      ASN  88 -10.161   3.076  -3.048
  497   HD21  ASN  88          1HD2      ASN  88 -11.841   3.598  -1.573
  498   HD22  ASN  88          2HD2      ASN  88 -12.155   2.668  -0.119
  499    H    ASN  89           H        ASN  89  -9.328  -1.109  -2.265
  500    HA   ASN  89           HA       ASN  89 -10.496  -2.873  -2.775
  501    HB2  ASN  89           2HB      ASN  89 -12.378  -1.307  -2.035
  502    HB3  ASN  89           3HB      ASN  89 -12.859  -1.292  -3.738
  503   HD21  ASN  89          1HD2      ASN  89 -12.002  -3.502  -1.006
  504   HD22  ASN  89          2HD2      ASN  89 -13.136  -4.754  -1.493
  505    H    ILE  90           H        ILE  90  -8.599  -2.059  -4.548
  506    HA   ILE  90           HA       ILE  90  -9.599  -2.597  -7.283
  507    HB   ILE  90           HB       ILE  90  -7.286  -2.298  -8.044
  508   HG12  ILE  90          2HG1      ILE  90  -6.264  -1.759  -5.282
  509   HG13  ILE  90          3HG1      ILE  90  -6.219  -3.364  -5.936
  510   HG21  ILE  90          1HG2      ILE  90  -8.801  -0.397  -7.745
  511   HG22  ILE  90          2HG2      ILE  90  -8.113  -0.092  -6.151
  512   HG23  ILE  90          3HG2      ILE  90  -7.099   0.015  -7.614
  513   HD11  ILE  90          3HD1      ILE  90  -4.169  -2.230  -6.306
  514   HD12  ILE  90          1HD1      ILE  90  -4.918  -2.807  -7.798
  515   HD13  ILE  90          2HD1      ILE  90  -4.966  -1.065  -7.393
  516    H    GLU  91           H        GLU  91  -9.150  -4.397  -8.445
  517    HA   GLU  91           HA       GLU  91  -8.694  -6.848  -6.956
  518    HB2  GLU  91           2HB      GLU  91 -10.308  -6.555  -8.891
  519    HB3  GLU  91           3HB      GLU  91  -8.860  -6.464  -9.885
  520    HG2  GLU  91           2HG      GLU  91  -8.370  -8.790  -8.537
  521    HG3  GLU  91           3HG      GLU  91 -10.121  -8.811  -8.539
  522    H    PHE  92           H        PHE  92  -6.718  -7.219  -6.277
  523    HA   PHE  92           HA       PHE  92  -4.239  -6.659  -7.758
  524    HD1  PHE  92           HD2      PHE  92  -2.192  -7.957  -7.589
  525    HD2  PHE  92           HD1      PHE  92  -2.948  -7.497  -3.357
  526    HE1  PHE  92           HE2      PHE  92   0.183  -8.359  -7.126
  527    HE2  PHE  92           HE1      PHE  92  -0.543  -7.936  -2.905
  528    HZ   PHE  92           HZ       PHE  92   1.029  -8.303  -4.801
  529    HB2  PHE  92           2HB      PHE  92  -4.496  -6.419  -5.319
  530    HB3  PHE  92           3HB      PHE  92  -4.811  -8.012  -5.106
  531    H    ARG  93           H        ARG  93  -4.744  -7.931  -9.609
  532    HA   ARG  93           HA       ARG  93  -4.305  -9.637 -11.000
  533    HE   ARG  93           HE       ARG  93  -2.791 -11.346  -6.274
  534    HB2  ARG  93           2HB      ARG  93  -2.443 -10.801 -10.550
  535    HB3  ARG  93           3HB      ARG  93  -2.393  -9.846  -9.088
  536    HG2  ARG  93           2HG      ARG  93  -3.836 -11.949  -8.118
  537    HG3  ARG  93           3HG      ARG  93  -3.075 -12.744  -9.489
  538    HD2  ARG  93           2HD      ARG  93  -1.496 -13.168  -7.914
  539    HD3  ARG  93           3HD      ARG  93  -0.874 -11.609  -8.474
  540   HH11  ARG  93          2HH2      ARG  93   0.596 -11.864  -6.976
  541   HH12  ARG  93          1HH2      ARG  93   1.099 -11.503  -5.338
  542   HH21  ARG  93          2HH1      ARG  93  -2.081 -11.164  -4.066
  543   HH22  ARG  93          1HH1      ARG  93  -0.342 -11.143  -3.822
  544    H    GLY  94           H        GLY  94  -6.215 -10.295  -8.314
  545    HA2  GLY  94           2HA      GLY  94  -8.176 -11.994  -9.217
  546    HA3  GLY  94           3HA      GLY  94  -6.853 -13.086  -8.784
  547    H    SER  95           H        SER  95  -6.222 -10.662  -6.564
  548    HA   SER  95           HA       SER  95  -8.226 -11.568  -4.561
  549    HG   SER  95           HG       SER  95  -4.686 -12.007  -3.550
  550    HB2  SER  95           2HB      SER  95  -5.523 -10.157  -4.278
  551    HB3  SER  95           3HB      SER  95  -6.595 -10.724  -2.979
  552    H    VAL  96           H        VAL  96  -8.350  -9.327  -3.134
  553    HA   VAL  96           HA       VAL  96  -8.011  -6.980  -4.862
  554    HB   VAL  96           HB       VAL  96 -10.008  -6.038  -4.947
  555   HG11  VAL  96          1HG1      VAL  96 -11.806  -7.518  -5.492
  556   HG12  VAL  96          2HG1      VAL  96 -10.292  -8.153  -6.135
  557   HG13  VAL  96          3HG1      VAL  96 -10.998  -8.873  -4.665
  558   HG21  VAL  96          3HG2      VAL  96 -10.440  -5.847  -2.544
  559   HG22  VAL  96          1HG2      VAL  96 -11.852  -6.120  -3.553
  560   HG23  VAL  96          2HG2      VAL  96 -11.187  -7.481  -2.632
  561    H    ILE  97           H        ILE  97  -7.723  -5.005  -3.562
  562    HA   ILE  97           HA       ILE  97  -7.444  -5.404  -0.607
  563    HB   ILE  97           HB       ILE  97  -5.577  -3.605  -0.871
  564   HG12  ILE  97          2HG1      ILE  97  -5.253  -5.069  -3.520
  565   HG13  ILE  97          3HG1      ILE  97  -5.824  -3.406  -3.357
  566   HG21  ILE  97          1HG2      ILE  97  -4.941  -6.512  -1.440
  567   HG22  ILE  97          2HG2      ILE  97  -3.894  -5.280  -0.641
  568   HG23  ILE  97          3HG2      ILE  97  -5.359  -5.836   0.152
  569   HD11  ILE  97          3HD1      ILE  97  -3.051  -4.408  -2.608
  570   HD12  ILE  97          1HD1      ILE  97  -3.494  -3.361  -3.962
  571   HD13  ILE  97          2HD1      ILE  97  -3.672  -2.761  -2.301
  572    H    THR  98           H        THR  98  -8.223  -3.884   0.601
  573    HA   THR  98           HA       THR  98  -9.363  -1.316  -0.467
  574    HB   THR  98           HB       THR  98  -9.701  -2.676   2.208
  575    HG1  THR  98           1HG      THR  98 -11.695  -3.378   1.413
  576   HG21  THR  98          1HG2      THR  98 -11.630  -1.257   2.507
  577   HG22  THR  98          2HG2      THR  98 -10.253  -0.215   2.112
  578   HG23  THR  98          3HG2      THR  98 -11.466  -0.599   0.868
  579    H    VAL  99           H        VAL  99  -8.494   0.601   0.385
  580    HA   VAL  99           HA       VAL  99  -6.115   0.320   2.137
  581    HB   VAL  99           HB       VAL  99  -4.646   1.513   0.737
  582   HG11  VAL  99          1HG1      VAL  99  -5.962  -0.591  -1.018
  583   HG12  VAL  99          2HG1      VAL  99  -4.262  -0.067  -1.016
  584   HG13  VAL  99          3HG1      VAL  99  -4.931  -0.949   0.358
  585   HG21  VAL  99          3HG2      VAL  99  -7.038   1.838  -1.028
  586   HG22  VAL  99          1HG2      VAL  99  -5.928   3.071  -0.411
  587   HG23  VAL  99          2HG2      VAL  99  -5.387   1.955  -1.671
  588    H    GLU 100           H        GLU 100  -5.684   1.891   3.422
  589    HA   GLU 100           HA       GLU 100  -6.881   4.595   3.202
  590    HB2  GLU 100           2HB      GLU 100  -8.315   4.380   5.180
  591    HB3  GLU 100           3HB      GLU 100  -8.890   3.339   3.893
  592    HG2  GLU 100           2HG      GLU 100  -7.226   2.347   6.257
  593    HG3  GLU 100           3HG      GLU 100  -8.975   2.461   6.278
  594    H    ARG 101           H        ARG 101  -6.488   5.961   5.005
  595    HA   ARG 101           HA       ARG 101  -3.809   5.658   6.069
  596    HE   ARG 101           HE       ARG 101  -6.602  10.200   8.197
  597    HB2  ARG 101           2HB      ARG 101  -4.110   7.882   6.864
  598    HB3  ARG 101           3HB      ARG 101  -4.704   7.743   5.223
  599    HG2  ARG 101           2HG      ARG 101  -7.079   7.537   6.259
  600    HG3  ARG 101           3HG      ARG 101  -6.315   8.044   7.765
  601    HD2  ARG 101           2HD      ARG 101  -5.328   9.902   5.928
  602    HD3  ARG 101           3HD      ARG 101  -6.953   9.583   5.303
  603   HH11  ARG 101          1HH1      ARG 101  -7.932  11.374   5.168
  604   HH12  ARG 101          2HH1      ARG 101  -8.513  12.839   5.906
  605   HH21  ARG 101          1HH2      ARG 101  -7.060  12.161   8.962
  606   HH22  ARG 101          2HH2      ARG 101  -8.114  13.236   8.062
  607    H    ASP 102           H        ASP 102  -3.049   5.329   7.969
  608    HA   ASP 102           HA       ASP 102  -4.810   4.150  10.067
  609    HB2  ASP 102           2HB      ASP 102  -3.737   2.367   9.225
  610    HB3  ASP 102           3HB      ASP 102  -2.399   3.279   8.571
  611    H    ASP 103           H        ASP 103  -2.429   6.643   9.603
  612    HA   ASP 103           HA       ASP 103  -2.401   7.151  12.547
  613    HB2  ASP 103           2HB      ASP 103  -0.105   7.599  12.522
  614    HB3  ASP 103           3HB      ASP 103  -0.279   6.091  11.640
  615    H    ASN 104           H        ASN 104  -3.831   8.353  10.056
  616    HA   ASN 104           HA       ASN 104  -3.213  11.249  10.472
  617    HB2  ASN 104           2HB      ASN 104  -2.972   9.584   7.996
  618    HB3  ASN 104           3HB      ASN 104  -3.870  11.079   7.795
  619   HD21  ASN 104          1HD2      ASN 104  -0.718   9.819   8.960
  620   HD22  ASN 104          2HD2      ASN 104   0.142  11.311   8.586
  Start of MODEL    9
    1    HA   PRO  25           HA       PRO  25  10.786  16.025   6.649
    2    HB2  PRO  25           2HB      PRO  25  10.092  14.960   3.882
    3    HB3  PRO  25           3HB      PRO  25  11.458  16.026   4.354
    4    HG2  PRO  25           2HG      PRO  25  11.739  13.307   4.266
    5    HG3  PRO  25           3HG      PRO  25  12.527  14.277   5.548
    6    HD2  PRO  25           2HD      PRO  25  10.257  12.402   5.815
    7    HD3  PRO  25           3HD      PRO  25  11.318  13.092   7.058
    8    H    ALA  26           H        ALA  26   9.028  16.650   3.823
    9    HA   ALA  26           HA       ALA  26   7.402  18.744   4.807
   10    HB1  ALA  26           1HB      ALA  26   8.110  18.450   2.468
   11    HB2  ALA  26           2HB      ALA  26   7.134  16.970   2.335
   12    HB3  ALA  26           3HB      ALA  26   6.339  18.545   2.565
   13    H    LYS  27           H        LYS  27   6.749  15.307   4.469
   14    HA   LYS  27           HA       LYS  27   4.517  15.417   6.430
   15    HB2  LYS  27           2HB      LYS  27   4.170  14.865   3.606
   16    HB3  LYS  27           3HB      LYS  27   4.032  13.351   4.427
   17    HG2  LYS  27           2HG      LYS  27   2.446  15.842   5.181
   18    HG3  LYS  27           3HG      LYS  27   1.928  14.601   4.052
   19    HD2  LYS  27           2HD      LYS  27   2.314  12.921   6.011
   20    HD3  LYS  27           3HD      LYS  27   2.253  14.357   7.046
   21    HE2  LYS  27           2HE      LYS  27   0.097  13.326   5.154
   22    HE3  LYS  27           3HE      LYS  27   0.085  13.220   6.901
   23    HZ1  LYS  27           3HZ      LYS  27  -0.098  15.623   7.017
   24    HZ2  LYS  27           1HZ      LYS  27   0.025  15.786   5.377
   25    HZ3  LYS  27           2HZ      LYS  27  -1.266  15.060   6.040
   26    H    ARG  28           H        ARG  28   4.145  13.338   7.323
   27    HA   ARG  28           HA       ARG  28   5.539  10.974   6.525
   28    HE   ARG  28           HE       ARG  28   8.819   8.593   8.118
   29    HB2  ARG  28           2HB      ARG  28   6.442  12.419   8.908
   30    HB3  ARG  28           3HB      ARG  28   5.624  10.920   9.416
   31    HG2  ARG  28           2HG      ARG  28   6.921   9.643   7.739
   32    HG3  ARG  28           3HG      ARG  28   7.714  11.160   7.243
   33    HD2  ARG  28           2HD      ARG  28   8.976  11.270   9.220
   34    HD3  ARG  28           3HD      ARG  28   7.802  10.296  10.132
   35   HH11  ARG  28          2HH2      ARG  28  10.128  10.060  11.028
   36   HH12  ARG  28          1HH2      ARG  28  11.192   8.704  11.299
   37   HH21  ARG  28          1HH1      ARG  28  10.028   6.986   8.517
   38   HH22  ARG  28          2HH1      ARG  28  11.186   6.967   9.855
   39    H    TYR  29           H        TYR  29   4.062   9.542   6.334
   40    HA   TYR  29           HA       TYR  29   1.643   9.497   8.075
   41    HD1  TYR  29           HD2      TYR  29   0.723   7.093   5.087
   42    HD2  TYR  29           HD1      TYR  29   2.503  10.842   3.798
   43    HE1  TYR  29           HE2      TYR  29   1.429   6.013   2.996
   44    HE2  TYR  29           HE1      TYR  29   2.926   9.819   1.628
   45    HH   TYR  29           HH       TYR  29   2.219   6.322   0.944
   46    HB2  TYR  29           2HB      TYR  29   0.192   9.259   6.187
   47    HB3  TYR  29           3HB      TYR  29   1.125  10.699   5.880
   48    H    ARG  30           H        ARG  30   0.502   7.470   7.887
   49    HA   ARG  30           HA       ARG  30   2.024   5.193   6.718
   50    HE   ARG  30           HE       ARG  30  -0.373   2.267   9.855
   51    HB2  ARG  30           2HB      ARG  30   2.306   5.686   9.273
   52    HB3  ARG  30           3HB      ARG  30   0.697   5.035   9.416
   53    HG2  ARG  30           2HG      ARG  30   3.080   3.623   8.123
   54    HG3  ARG  30           3HG      ARG  30   2.725   3.498   9.831
   55    HD2  ARG  30           2HD      ARG  30   0.655   2.665   7.767
   56    HD3  ARG  30           3HD      ARG  30   1.979   1.617   8.224
   57   HH11  ARG  30          2HH2      ARG  30   2.914   1.030  10.096
   58   HH12  ARG  30          1HH2      ARG  30   2.552   0.203  11.581
   59   HH21  ARG  30          1HH1      ARG  30  -0.741   1.234  11.626
   60   HH22  ARG  30          2HH1      ARG  30   0.508   0.318  12.476
   61    H    ILE  31           H        ILE  31   0.756   3.826   5.559
   62    HA   ILE  31           HA       ILE  31  -2.203   3.978   5.942
   63    HB   ILE  31           HB       ILE  31  -2.645   3.438   3.638
   64   HG12  ILE  31          2HG1      ILE  31   0.231   3.979   2.890
   65   HG13  ILE  31          3HG1      ILE  31  -0.428   2.342   3.105
   66   HG21  ILE  31          1HG2      ILE  31  -0.965   5.956   3.850
   67   HG22  ILE  31          2HG2      ILE  31  -2.173   5.598   2.602
   68   HG23  ILE  31          3HG2      ILE  31  -2.681   5.773   4.276
   69   HD11  ILE  31          3HD1      ILE  31  -1.318   4.328   1.029
   70   HD12  ILE  31          1HD1      ILE  31  -0.469   2.790   0.801
   71   HD13  ILE  31          2HD1      ILE  31  -2.144   2.789   1.405
   72    H    THR  32           H        THR  32  -3.363   2.239   5.710
   73    HA   THR  32           HA       THR  32  -2.140  -0.513   5.981
   74    HB   THR  32           HB       THR  32  -4.841   0.675   6.577
   75    HG1  THR  32           1HG      THR  32  -4.206   0.368   8.669
   76   HG21  THR  32          1HG2      THR  32  -3.777  -2.183   6.931
   77   HG22  THR  32          2HG2      THR  32  -5.276  -1.580   7.670
   78   HG23  THR  32          3HG2      THR  32  -5.148  -1.680   5.905
   79    H    MET  33           H        MET  33  -2.404  -1.947   4.543
   80    HA   MET  33           HA       MET  33  -4.464  -1.632   2.505
   81    HB2  MET  33           2HB      MET  33  -1.636  -2.531   1.758
   82    HB3  MET  33           3HB      MET  33  -3.020  -2.257   0.696
   83    HG2  MET  33           2HG      MET  33  -2.918   0.193   1.570
   84    HG3  MET  33           3HG      MET  33  -1.328  -0.237   2.155
   85    HE1  MET  33           3HE      MET  33  -0.062  -1.410  -1.607
   86    HE2  MET  33           1HE      MET  33  -0.060  -1.930   0.097
   87    HE3  MET  33           2HE      MET  33  -1.477  -2.252  -0.920
   88    H    LYS  34           H        LYS  34  -5.732  -3.232   2.763
   89    HA   LYS  34           HA       LYS  34  -4.919  -5.968   3.719
   90    HB2  LYS  34           2HB      LYS  34  -4.808  -4.274   5.543
   91    HB3  LYS  34           3HB      LYS  34  -6.237  -3.492   4.855
   92    HG2  LYS  34           2HG      LYS  34  -6.751  -6.056   6.066
   93    HG3  LYS  34           3HG      LYS  34  -6.303  -4.647   7.074
   94    HD2  LYS  34           2HD      LYS  34  -8.572  -4.513   5.021
   95    HD3  LYS  34           3HD      LYS  34  -8.835  -4.940   6.643
   96    HE2  LYS  34           2HE      LYS  34  -9.143  -2.680   6.925
   97    HE3  LYS  34           3HE      LYS  34  -7.377  -2.591   6.982
   98    HZ1  LYS  34           3HZ      LYS  34  -8.189  -2.533   4.280
   99    HZ2  LYS  34           1HZ      LYS  34  -9.031  -1.374   5.135
  100    HZ3  LYS  34           2HZ      LYS  34  -7.457  -1.352   5.150
  101    H    ASN  35           H        ASN  35  -6.877  -7.432   3.648
  102    HA   ASN  35           HA       ASN  35  -9.299  -6.035   3.832
  103    HB2  ASN  35           2HB      ASN  35  -9.702  -5.517   1.669
  104    HB3  ASN  35           3HB      ASN  35  -8.397  -6.513   1.159
  105   HD21  ASN  35          2HD2      ASN  35  -8.729  -8.471   0.265
  106   HD22  ASN  35          1HD2      ASN  35 -10.349  -9.077  -0.121
  107    H    LEU  36           H        LEU  36  -8.533  -9.320   2.465
  108    HA   LEU  36           HA       LEU  36  -9.511 -10.566   4.872
  109    HG   LEU  36           HG       LEU  36 -10.794 -12.801   2.306
  110    HB2  LEU  36           2HB      LEU  36 -11.462 -11.482   4.341
  111    HB3  LEU  36           3HB      LEU  36 -11.643 -10.056   3.363
  112   HD11  LEU  36          1HD1      LEU  36 -13.502 -11.413   2.249
  113   HD12  LEU  36          2HD1      LEU  36 -13.100 -12.961   1.474
  114   HD13  LEU  36          3HD1      LEU  36 -13.070 -12.827   3.239
  115   HD21  LEU  36          3HD2      LEU  36 -11.438 -11.907   0.099
  116   HD22  LEU  36          1HD2      LEU  36 -11.760 -10.318   0.831
  117   HD23  LEU  36          2HD2      LEU  36 -10.105 -10.985   0.789
  118    HA   PRO  37           HA       PRO  37  -6.496 -13.367   4.936
  119    HB2  PRO  37           2HB      PRO  37  -8.253 -15.461   3.642
  120    HB3  PRO  37           3HB      PRO  37  -6.946 -15.695   4.864
  121    HG2  PRO  37           2HG      PRO  37  -9.472 -15.384   5.729
  122    HG3  PRO  37           3HG      PRO  37  -8.165 -14.439   6.513
  123    HD2  PRO  37           2HD      PRO  37 -10.187 -13.548   4.476
  124    HD3  PRO  37           3HD      PRO  37  -9.563 -12.655   5.884
  125    H    GLU  38           H        GLU  38  -5.743 -11.683   3.173
  126    HA   GLU  38           HA       GLU  38  -4.441 -13.328   1.094
  127    HB2  GLU  38           2HB      GLU  38  -4.416 -11.609  -0.414
  128    HB3  GLU  38           3HB      GLU  38  -6.063 -11.669   0.190
  129    HG2  GLU  38           2HG      GLU  38  -3.961  -9.669   1.113
  130    HG3  GLU  38           3HG      GLU  38  -5.044  -9.389  -0.233
  131    H    GLY  39           H        GLY  39  -3.661 -12.321   3.821
  132    HA2  GLY  39           2HA      GLY  39  -1.648 -11.863   4.811
  133    HA3  GLY  39           3HA      GLY  39  -1.511 -13.486   4.168
  134    H    CYS  40           H        CYS  40  -1.139 -10.290   2.655
  135    HA   CYS  40           HA       CYS  40   0.652 -11.036   0.777
  136    HG   CYS  40           HG       CYS  40  -1.526 -10.033   0.238
  137    HB2  CYS  40           2HB      CYS  40   0.628  -8.201   1.903
  138    HB3  CYS  40           3HB      CYS  40   1.002  -8.731   0.264
  139    H    SER  41           H        SER  41   2.811 -10.224   0.230
  140    HA   SER  41           HA       SER  41   4.789 -10.034   2.480
  141    HG   SER  41           HG       SER  41   4.043 -12.353   0.113
  142    HB2  SER  41           2HB      SER  41   5.528 -10.836  -0.332
  143    HB3  SER  41           3HB      SER  41   6.377 -11.160   1.188
  144    H    TRP  42           H        TRP  42   6.658  -8.514   2.032
  145    HA   TRP  42           HA       TRP  42   5.680  -6.126   0.846
  146    HD1  TRP  42           HD1      TRP  42  10.187  -4.759   1.417
  147    HE1  TRP  42           HE1      TRP  42  10.146  -2.390   0.448
  148    HE3  TRP  42           HE3      TRP  42   5.121  -4.226   0.672
  149    HZ2  TRP  42           HZ2      TRP  42   8.194  -0.612  -0.772
  150    HZ3  TRP  42           HZ3      TRP  42   4.246  -2.278  -0.520
  151    HH2  TRP  42           HH2      TRP  42   5.736  -0.452  -1.208
  152    HB2  TRP  42           2HB      TRP  42   7.373  -6.076   2.585
  153    HB3  TRP  42           3HB      TRP  42   8.558  -6.737   1.497
  154    H    GLN  43           H        GLN  43   7.688  -8.665  -0.622
  155    HA   GLN  43           HA       GLN  43   7.985  -7.100  -2.969
  156    HB2  GLN  43           2HB      GLN  43   9.047  -8.940  -3.980
  157    HB3  GLN  43           3HB      GLN  43   9.414  -9.090  -2.276
  158    HG2  GLN  43           2HG      GLN  43   8.797 -11.248  -2.547
  159    HG3  GLN  43           3HG      GLN  43   7.155 -10.654  -2.373
  160   HE21  GLN  43          2HE2      GLN  43   5.782 -11.461  -4.068
  161   HE22  GLN  43          1HE2      GLN  43   6.396 -11.846  -5.672
  162    H    ASP  44           H        ASP  44   5.240  -8.646  -1.845
  163    HA   ASP  44           HA       ASP  44   3.984  -9.128  -4.470
  164    HB2  ASP  44           2HB      ASP  44   2.854  -9.099  -1.621
  165    HB3  ASP  44           3HB      ASP  44   2.077  -9.558  -3.078
  166    H    LEU  45           H        LEU  45   3.715  -6.959  -1.614
  167    HA   LEU  45           HA       LEU  45   1.854  -5.190  -2.927
  168    HG   LEU  45           HG       LEU  45   1.453  -6.575  -0.298
  169    HB2  LEU  45           2HB      LEU  45   3.452  -5.167  -0.362
  170    HB3  LEU  45           3HB      LEU  45   2.510  -3.783  -0.865
  171   HD11  LEU  45          1HD1      LEU  45   0.969  -3.875   1.007
  172   HD12  LEU  45          2HD1      LEU  45   0.317  -5.453   1.548
  173   HD13  LEU  45          3HD1      LEU  45   2.059  -5.133   1.621
  174   HD21  LEU  45          3HD2      LEU  45  -0.051  -4.112  -1.283
  175   HD22  LEU  45          1HD2      LEU  45   0.017  -5.694  -2.061
  176   HD23  LEU  45          2HD2      LEU  45  -0.834  -5.523  -0.536
  177    H    LYS  46           H        LYS  46   5.402  -5.166  -2.762
  178    HA   LYS  46           HA       LYS  46   5.867  -2.662  -4.191
  179    HB2  LYS  46           2HB      LYS  46   7.279  -5.318  -3.936
  180    HB3  LYS  46           3HB      LYS  46   7.717  -4.314  -5.287
  181    HG2  LYS  46           2HG      LYS  46   7.834  -3.303  -2.431
  182    HG3  LYS  46           3HG      LYS  46   9.145  -4.160  -3.217
  183    HD2  LYS  46           2HD      LYS  46   9.847  -2.075  -3.703
  184    HD3  LYS  46           3HD      LYS  46   8.859  -2.328  -5.129
  185    HE2  LYS  46           2HE      LYS  46   7.283  -0.741  -4.466
  186    HE3  LYS  46           3HE      LYS  46   7.403  -1.221  -2.789
  187    HZ1  LYS  46           3HZ      LYS  46   8.292   0.949  -2.953
  188    HZ2  LYS  46           1HZ      LYS  46   9.595  -0.008  -2.740
  189    HZ3  LYS  46           2HZ      LYS  46   9.258   0.637  -4.205
  190    H    ASP  47           H        ASP  47   5.531  -5.957  -5.493
  191    HA   ASP  47           HA       ASP  47   5.358  -5.275  -8.192
  192    HB2  ASP  47           2HB      ASP  47   5.491  -7.571  -7.585
  193    HB3  ASP  47           3HB      ASP  47   4.047  -7.530  -6.619
  194    H    LEU  48           H        LEU  48   2.400  -5.696  -6.198
  195    HA   LEU  48           HA       LEU  48   0.893  -4.644  -8.289
  196    HG   LEU  48           HG       LEU  48  -1.604  -3.922  -7.660
  197    HB2  LEU  48           2HB      LEU  48  -0.236  -5.816  -6.591
  198    HB3  LEU  48           3HB      LEU  48   0.246  -4.684  -5.326
  199   HD11  LEU  48          1HD1      LEU  48  -2.849  -5.522  -6.493
  200   HD12  LEU  48          2HD1      LEU  48  -2.210  -5.021  -4.889
  201   HD13  LEU  48          3HD1      LEU  48  -3.385  -4.026  -5.722
  202   HD21  LEU  48          3HD2      LEU  48  -0.936  -2.623  -5.043
  203   HD22  LEU  48          1HD2      LEU  48  -0.818  -1.955  -6.709
  204   HD23  LEU  48          2HD2      LEU  48  -2.382  -2.214  -6.012
  205    H    ALA  49           H        ALA  49   2.392  -2.841  -5.545
  206    HA   ALA  49           HA       ALA  49   1.285  -0.343  -6.164
  207    HB1  ALA  49           1HB      ALA  49   2.448  -0.621  -4.146
  208    HB2  ALA  49           2HB      ALA  49   3.918  -1.249  -4.970
  209    HB3  ALA  49           3HB      ALA  49   3.496   0.462  -5.098
  210    H    ARG  50           H        ARG  50   4.003  -1.986  -7.740
  211    HA   ARG  50           HA       ARG  50   4.799   0.371  -9.263
  212    HE   ARG  50           HE       ARG  50   5.959   1.207  -7.433
  213    HB2  ARG  50           2HB      ARG  50   5.569  -2.443 -10.006
  214    HB3  ARG  50           3HB      ARG  50   6.413  -0.935 -10.319
  215    HG2  ARG  50           2HG      ARG  50   6.497  -2.729  -8.018
  216    HG3  ARG  50           3HG      ARG  50   7.743  -1.724  -8.621
  217    HD2  ARG  50           2HD      ARG  50   5.615  -0.862  -6.650
  218    HD3  ARG  50           3HD      ARG  50   7.244  -1.180  -6.343
  219   HH11  ARG  50          1HH2      ARG  50   9.190  -0.220  -7.397
  220   HH12  ARG  50          2HH2      ARG  50   9.882   1.379  -7.569
  221   HH21  ARG  50          1HH1      ARG  50   6.922   3.007  -7.876
  222   HH22  ARG  50          2HH1      ARG  50   8.686   3.104  -7.847
  223    H    GLU  51           H        GLU  51   2.700  -2.354  -9.681
  224    HA   GLU  51           HA       GLU  51   1.797  -1.848 -12.390
  225    HB2  GLU  51           2HB      GLU  51   0.085  -2.955 -10.148
  226    HB3  GLU  51           3HB      GLU  51  -0.325  -2.924 -11.770
  227    HG2  GLU  51           2HG      GLU  51   2.103  -4.280 -10.587
  228    HG3  GLU  51           3HG      GLU  51   0.653  -5.127 -10.797
  229    H    ASN  52           H        ASN  52   1.063  -0.355  -9.412
  230    HA   ASN  52           HA       ASN  52  -1.258   1.091 -10.541
  231    HB2  ASN  52           2HB      ASN  52  -0.310  -0.083  -7.945
  232    HB3  ASN  52           3HB      ASN  52  -1.320   1.245  -7.846
  233   HD21  ASN  52          2HD2      ASN  52  -1.104  -2.030  -8.895
  234   HD22  ASN  52          1HD2      ASN  52  -2.848  -2.286  -8.903
  235    H    SER  53           H        SER  53   1.876   1.998  -9.393
  236    HA   SER  53           HA       SER  53   2.861   3.973 -10.158
  237    HG   SER  53           HG       SER  53  -0.064   4.533 -11.375
  238    HB2  SER  53           2HB      SER  53   0.350   5.543  -9.474
  239    HB3  SER  53           3HB      SER  53   1.863   6.152 -10.144
  240    H    LEU  54           H        LEU  54   2.224   2.668  -7.408
  241    HA   LEU  54           HA       LEU  54   3.068   4.853  -5.556
  242    HG   LEU  54           HG       LEU  54   0.417   2.769  -4.061
  243    HB2  LEU  54           2HB      LEU  54   2.071   2.048  -5.284
  244    HB3  LEU  54           3HB      LEU  54   3.170   2.564  -4.061
  245   HD11  LEU  54          1HD1      LEU  54   1.896   2.588  -2.058
  246   HD12  LEU  54          2HD1      LEU  54   2.454   4.242  -2.359
  247   HD13  LEU  54          3HD1      LEU  54   0.798   3.953  -1.863
  248   HD21  LEU  54          3HD2      LEU  54   1.481   5.612  -4.273
  249   HD22  LEU  54          1HD2      LEU  54   0.428   4.796  -5.462
  250   HD23  LEU  54          2HD2      LEU  54  -0.142   5.119  -3.822
  251    H    GLU  55           H        GLU  55   4.787   4.301  -4.135
  252    HA   GLU  55           HA       GLU  55   6.988   2.582  -4.990
  253    HB2  GLU  55           2HB      GLU  55   7.357   4.699  -6.208
  254    HB3  GLU  55           3HB      GLU  55   7.150   5.605  -4.723
  255    HG2  GLU  55           2HG      GLU  55   9.408   5.533  -5.201
  256    HG3  GLU  55           3HG      GLU  55   9.197   4.551  -3.776
  257    H    THR  56           H        THR  56   6.348   5.213  -2.975
  258    HA   THR  56           HA       THR  56   6.484   5.761  -0.771
  259    HB   THR  56           HB       THR  56   5.678   4.405   0.882
  260    HG1  THR  56           1HG      THR  56   6.494   2.236  -0.730
  261   HG21  THR  56          1HG2      THR  56   4.363   3.202  -1.529
  262   HG22  THR  56          2HG2      THR  56   3.735   3.282   0.117
  263   HG23  THR  56          3HG2      THR  56   3.966   4.765  -0.755
  264    H    THR  57           H        THR  57   7.681   4.938   1.491
  265    HA   THR  57           HA       THR  57  10.564   4.683   0.869
  266    HB   THR  57           HB       THR  57   9.187   4.501   3.582
  267    HG1  THR  57           1HG      THR  57   9.087   6.568   3.700
  268   HG21  THR  57          1HG2      THR  57  11.566   3.936   3.636
  269   HG22  THR  57          2HG2      THR  57  11.962   5.453   2.782
  270   HG23  THR  57          3HG2      THR  57  11.273   5.494   4.422
  271    H    PHE  58           H        PHE  58   7.942   2.892   2.466
  272    HA   PHE  58           HA       PHE  58   9.104   0.263   2.226
  273    HD1  PHE  58           HD1      PHE  58   9.000   3.331   5.541
  274    HD2  PHE  58           HD2      PHE  58   8.901  -0.962   5.959
  275    HE1  PHE  58           HE1      PHE  58   8.022   3.562   7.820
  276    HE2  PHE  58           HE2      PHE  58   7.877  -0.725   8.202
  277    HZ   PHE  58           HZ       PHE  58   7.432   1.540   9.133
  278    HB2  PHE  58           2HB      PHE  58  10.165   0.092   4.189
  279    HB3  PHE  58           3HB      PHE  58  10.351   1.803   4.083
  280    H    SER  59           H        SER  59   7.903  -1.304   3.605
  281    HA   SER  59           HA       SER  59   5.406  -0.336   4.841
  282    HG   SER  59           HG       SER  59   4.084  -3.208   4.151
  283    HB2  SER  59           2HB      SER  59   4.661  -0.876   2.706
  284    HB3  SER  59           3HB      SER  59   5.520  -2.409   2.657
  285    H    SER  60           H        SER  60   4.729  -1.596   6.527
  286    HA   SER  60           HA       SER  60   6.345  -3.912   7.459
  287    HG   SER  60           HG       SER  60   4.149  -4.907   9.364
  288    HB2  SER  60           2HB      SER  60   5.143  -2.273   9.005
  289    HB3  SER  60           3HB      SER  60   3.618  -2.983   8.435
  290    H    VAL  61           H        VAL  61   6.033  -5.831   6.341
  291    HA   VAL  61           HA       VAL  61   3.307  -6.821   6.026
  292    HB   VAL  61           HB       VAL  61   4.946  -7.555   3.665
  293   HG11  VAL  61          1HG1      VAL  61   2.857  -7.634   2.551
  294   HG12  VAL  61          2HG1      VAL  61   2.458  -8.167   4.201
  295   HG13  VAL  61          3HG1      VAL  61   2.093  -6.533   3.685
  296   HG21  VAL  61          3HG2      VAL  61   3.686  -4.822   3.698
  297   HG22  VAL  61          1HG2      VAL  61   5.431  -5.155   3.540
  298   HG23  VAL  61          2HG2      VAL  61   4.274  -5.652   2.283
  299    H    ASN  62           H        ASN  62   3.558  -9.265   5.172
  300    HA   ASN  62           HA       ASN  62   4.174 -11.372   5.657
  301    HB2  ASN  62           2HB      ASN  62   6.846 -10.333   6.642
  302    HB3  ASN  62           3HB      ASN  62   6.443 -11.995   6.268
  303   HD21  ASN  62          1HD2      ASN  62   7.495  -8.953   5.014
  304   HD22  ASN  62          2HD2      ASN  62   7.923  -9.604   3.437
  305    H    THR  63           H        THR  63   4.282  -8.900   8.077
  306    HA   THR  63           HA       THR  63   4.305 -10.467  10.475
  307    HB   THR  63           HB       THR  63   3.135  -8.441  11.437
  308    HG1  THR  63           1HG      THR  63   2.132  -7.368   9.934
  309   HG21  THR  63          1HG2      THR  63   5.603  -7.831   9.750
  310   HG22  THR  63          2HG2      THR  63   5.059  -6.962  11.204
  311   HG23  THR  63          3HG2      THR  63   5.622  -8.638  11.340
  312    H    ARG  64           H        ARG  64   2.624 -11.309  11.724
  313    HA   ARG  64           HA       ARG  64   0.647 -12.526  10.058
  314    HE   ARG  64           HE       ARG  64  -1.495 -16.520  11.301
  315    HB2  ARG  64           2HB      ARG  64   1.928 -13.598  11.980
  316    HB3  ARG  64           3HB      ARG  64   0.848 -12.754  13.081
  317    HG2  ARG  64           2HG      ARG  64   0.136 -15.060  12.808
  318    HG3  ARG  64           3HG      ARG  64  -1.086 -13.998  12.125
  319    HD2  ARG  64           2HD      ARG  64   0.063 -14.449   9.833
  320    HD3  ARG  64           3HD      ARG  64   0.928 -15.745  10.660
  321   HH11  ARG  64          1HH1      ARG  64  -0.806 -14.960   8.235
  322   HH12  ARG  64          2HH1      ARG  64  -2.140 -15.725   7.437
  323   HH21  ARG  64          2HH2      ARG  64  -3.305 -17.311  10.227
  324   HH22  ARG  64          1HH2      ARG  64  -3.601 -16.765   8.591
  325    H    ASP  65           H        ASP  65   0.348  -9.656  11.829
  326    HA   ASP  65           HA       ASP  65  -1.508  -8.324  12.401
  327    HB2  ASP  65           2HB      ASP  65  -1.785  -9.041   9.471
  328    HB3  ASP  65           3HB      ASP  65  -2.466  -7.608  10.196
  329    H    PHE  66           H        PHE  66  -3.938  -8.829  10.315
  330    HA   PHE  66           HA       PHE  66  -5.609 -10.486  12.100
  331    HD1  PHE  66           HD1      PHE  66  -7.829 -11.401   8.940
  332    HD2  PHE  66           HD2      PHE  66  -5.153  -8.074   8.439
  333    HE1  PHE  66           HE1      PHE  66  -7.632 -11.917   6.545
  334    HE2  PHE  66           HE2      PHE  66  -4.951  -8.618   5.994
  335    HZ   PHE  66           HZ       PHE  66  -6.177 -10.540   5.047
  336    HB2  PHE  66           2HB      PHE  66  -7.397  -9.898  10.769
  337    HB3  PHE  66           3HB      PHE  66  -6.398  -8.466  10.613
  338    H    ASP  67           H        ASP  67  -3.814 -10.721   9.113
  339    HA   ASP  67           HA       ASP  67  -3.357 -13.546   9.297
  340    HB2  ASP  67           2HB      ASP  67  -5.587 -13.407   8.007
  341    HB3  ASP  67           3HB      ASP  67  -4.691 -12.589   6.722
  342    H    GLY  68           H        GLY  68  -3.294 -10.628   7.239
  343    HA2  GLY  68           2HA      GLY  68  -0.705  -9.849   7.757
  344    HA3  GLY  68           3HA      GLY  68  -0.523 -10.842   6.341
  345    H    THR  69           H        THR  69  -0.646  -7.829   7.197
  346    HA   THR  69           HA       THR  69  -2.070  -6.787   4.769
  347    HB   THR  69           HB       THR  69  -2.619  -4.806   5.961
  348    HG1  THR  69           1HG      THR  69  -1.046  -5.868   8.060
  349   HG21  THR  69          1HG2      THR  69  -4.077  -5.517   7.779
  350   HG22  THR  69          2HG2      THR  69  -4.198  -6.608   6.388
  351   HG23  THR  69          3HG2      THR  69  -3.273  -7.099   7.830
  352    H    GLY  70           H        GLY  70  -1.212  -4.784   3.985
  353    HA2  GLY  70           2HA      GLY  70   1.712  -4.364   4.378
  354    HA3  GLY  70           3HA      GLY  70   0.695  -3.610   3.143
  355    H    ALA  71           H        ALA  71   2.406  -2.584   5.482
  356    HA   ALA  71           HA       ALA  71   0.494  -0.415   5.881
  357    HB1  ALA  71           1HB      ALA  71   0.777  -0.182   8.191
  358    HB2  ALA  71           2HB      ALA  71   0.542  -1.908   7.960
  359    HB3  ALA  71           3HB      ALA  71   2.181  -1.273   8.247
  360    H    LEU  72           H        LEU  72   1.368   0.826   4.428
  361    HA   LEU  72           HA       LEU  72   4.188   1.078   3.807
  362    HG   LEU  72           HG       LEU  72   2.044   1.468   0.743
  363    HB2  LEU  72           2HB      LEU  72   1.740   2.446   2.868
  364    HB3  LEU  72           3HB      LEU  72   3.284   2.820   2.292
  365   HD11  LEU  72          1HD1      LEU  72   4.059   1.058  -0.021
  366   HD12  LEU  72          2HD1      LEU  72   4.770   0.934   1.581
  367   HD13  LEU  72          3HD1      LEU  72   3.992  -0.466   0.816
  368   HD21  LEU  72          3HD2      LEU  72   0.790   0.053   2.270
  369   HD22  LEU  72          1HD2      LEU  72   1.623  -0.862   1.000
  370   HD23  LEU  72          2HD2      LEU  72   2.262  -0.855   2.644
  371    H    GLU  73           H        GLU  73   5.311   3.069   3.821
  372    HA   GLU  73           HA       GLU  73   4.090   5.467   5.205
  373    HB2  GLU  73           2HB      GLU  73   5.497   4.322   6.852
  374    HB3  GLU  73           3HB      GLU  73   6.854   4.326   5.730
  375    HG2  GLU  73           2HG      GLU  73   5.837   7.054   6.253
  376    HG3  GLU  73           3HG      GLU  73   6.293   6.208   7.717
  377    H    PHE  74           H        PHE  74   4.752   7.510   4.352
  378    HA   PHE  74           HA       PHE  74   7.164   7.609   2.726
  379    HD1  PHE  74           HD1      PHE  74   7.829   7.001   0.727
  380    HD2  PHE  74           HD2      PHE  74   5.523  10.497  -0.117
  381    HE1  PHE  74           HE1      PHE  74   9.544   7.702  -0.914
  382    HE2  PHE  74           HE2      PHE  74   7.287  11.294  -1.664
  383    HZ   PHE  74           HZ       PHE  74   9.291   9.883  -2.095
  384    HB2  PHE  74           2HB      PHE  74   4.870   7.433   1.166
  385    HB3  PHE  74           3HB      PHE  74   4.867   9.103   1.572
  386    HA   PRO  75           HA       PRO  75   7.473  11.735   4.483
  387    HB2  PRO  75           2HB      PRO  75   9.087  12.216   1.968
  388    HB3  PRO  75           3HB      PRO  75   9.423  12.757   3.639
  389    HG2  PRO  75           2HG      PRO  75  10.679  10.578   2.689
  390    HG3  PRO  75           3HG      PRO  75   9.934  10.504   4.331
  391    HD2  PRO  75           2HD      PRO  75   8.805   9.543   1.698
  392    HD3  PRO  75           3HD      PRO  75   8.881   8.697   3.278
  393    H    SER  76           H        SER  76   5.646  11.267   1.555
  394    HA   SER  76           HA       SER  76   4.676  14.097   1.705
  395    HG   SER  76           HG       SER  76   6.898  14.441   0.613
  396    HB2  SER  76           2HB      SER  76   5.215  12.700  -0.858
  397    HB3  SER  76           3HB      SER  76   4.801  14.402  -0.624
  398    H    GLU  77           H        GLU  77   2.531  14.056   1.960
  399    HA   GLU  77           HA       GLU  77   0.987  11.736   1.774
  400    HB2  GLU  77           2HB      GLU  77  -0.990  13.189   2.046
  401    HB3  GLU  77           3HB      GLU  77   0.304  13.449   3.200
  402    HG2  GLU  77           2HG      GLU  77   1.025  15.425   1.643
  403    HG3  GLU  77           3HG      GLU  77  -0.566  15.216   0.890
  404    H    GLU  78           H        GLU  78   1.964  13.567  -0.892
  405    HA   GLU  78           HA       GLU  78  -0.050  13.206  -2.827
  406    HB2  GLU  78           2HB      GLU  78   2.956  12.754  -3.086
  407    HB3  GLU  78           3HB      GLU  78   1.853  13.063  -4.422
  408    HG2  GLU  78           2HG      GLU  78   2.329  15.066  -2.159
  409    HG3  GLU  78           3HG      GLU  78   3.314  14.994  -3.596
  410    H    ILE  79           H        ILE  79   2.419  10.868  -1.710
  411    HA   ILE  79           HA       ILE  79   1.576   8.719  -3.451
  412    HB   ILE  79           HB       ILE  79   3.320   8.684  -0.954
  413   HG12  ILE  79          2HG1      ILE  79   3.827   9.735  -3.649
  414   HG13  ILE  79          3HG1      ILE  79   4.527  10.151  -2.150
  415   HG21  ILE  79          1HG2      ILE  79   4.308   6.647  -1.786
  416   HG22  ILE  79          2HG2      ILE  79   2.571   6.426  -1.674
  417   HG23  ILE  79          3HG2      ILE  79   3.311   6.707  -3.265
  418   HD11  ILE  79          3HD1      ILE  79   6.014   8.071  -2.378
  419   HD12  ILE  79          1HD1      ILE  79   5.299   7.835  -3.991
  420   HD13  ILE  79          2HD1      ILE  79   6.230   9.295  -3.641
  421    H    LEU  80           H        LEU  80   0.846   9.612  -0.131
  422    HA   LEU  80           HA       LEU  80  -0.565   7.326   0.690
  423    HG   LEU  80           HG       LEU  80  -2.729  10.131   1.740
  424    HB2  LEU  80           2HB      LEU  80  -0.141   8.670   2.440
  425    HB3  LEU  80           3HB      LEU  80  -0.256  10.134   1.541
  426   HD11  LEU  80          1HD1      LEU  80  -3.851   8.724   3.261
  427   HD12  LEU  80          2HD1      LEU  80  -2.938   7.632   2.213
  428   HD13  LEU  80          3HD1      LEU  80  -2.333   8.009   3.849
  429   HD21  LEU  80          3HD2      LEU  80  -2.795  10.758   4.085
  430   HD22  LEU  80          1HD2      LEU  80  -1.243   9.945   4.379
  431   HD23  LEU  80          2HD2      LEU  80  -1.313  11.378   3.337
  432    H    VAL  81           H        VAL  81  -1.636  10.356  -0.866
  433    HA   VAL  81           HA       VAL  81  -4.480   9.723  -0.854
  434    HB   VAL  81           HB       VAL  81  -2.795  11.895  -2.206
  435   HG11  VAL  81          1HG1      VAL  81  -4.921  13.124  -2.658
  436   HG12  VAL  81          2HG1      VAL  81  -4.788  11.650  -3.616
  437   HG13  VAL  81          3HG1      VAL  81  -5.840  11.680  -2.178
  438   HG21  VAL  81          3HG2      VAL  81  -3.048  12.039   0.271
  439   HG22  VAL  81          1HG2      VAL  81  -3.815  13.391  -0.564
  440   HG23  VAL  81          2HG2      VAL  81  -4.810  12.056   0.069
  441    H    GLU  82           H        GLU  82  -1.860   9.490  -3.202
  442    HA   GLU  82           HA       GLU  82  -3.270   8.600  -5.419
  443    HB2  GLU  82           2HB      GLU  82  -0.609   8.378  -4.076
  444    HB3  GLU  82           3HB      GLU  82  -0.982   7.097  -5.071
  445    HG2  GLU  82           2HG      GLU  82  -0.721  10.022  -5.706
  446    HG3  GLU  82           3HG      GLU  82   0.362   8.730  -6.220
  447    H    ALA  83           H        ALA  83  -1.673   6.389  -2.960
  448    HA   ALA  83           HA       ALA  83  -3.114   4.077  -3.825
  449    HB1  ALA  83           1HB      ALA  83  -1.902   4.758  -1.151
  450    HB2  ALA  83           2HB      ALA  83  -2.674   3.186  -1.489
  451    HB3  ALA  83           3HB      ALA  83  -1.297   3.698  -2.460
  452    H    LEU  84           H        LEU  84  -4.288   6.476  -1.509
  453    HA   LEU  84           HA       LEU  84  -6.664   4.984  -0.605
  454    HG   LEU  84           HG       LEU  84  -4.880   7.833   1.047
  455    HB2  LEU  84           2HB      LEU  84  -6.166   7.989  -0.702
  456    HB3  LEU  84           3HB      LEU  84  -7.527   7.243   0.022
  457   HD11  LEU  84          1HD1      LEU  84  -6.032   7.715   3.165
  458   HD12  LEU  84          2HD1      LEU  84  -6.995   8.595   1.970
  459   HD13  LEU  84          3HD1      LEU  84  -7.429   6.918   2.392
  460   HD21  LEU  84          3HD2      LEU  84  -4.341   5.508   0.848
  461   HD22  LEU  84          1HD2      LEU  84  -4.728   5.845   2.542
  462   HD23  LEU  84          2HD2      LEU  84  -5.933   5.035   1.454
  463    H    GLU  85           H        GLU  85  -5.987   7.042  -3.406
  464    HA   GLU  85           HA       GLU  85  -8.768   6.608  -4.250
  465    HB2  GLU  85           2HB      GLU  85  -6.539   8.355  -5.369
  466    HB3  GLU  85           3HB      GLU  85  -8.154   8.242  -6.087
  467    HG2  GLU  85           2HG      GLU  85  -9.171   9.170  -4.084
  468    HG3  GLU  85           3HG      GLU  85  -7.600   9.275  -3.288
  469    H    ARG  86           H        ARG  86  -5.775   5.001  -4.746
  470    HA   ARG  86           HA       ARG  86  -6.332   4.273  -7.604
  471    HE   ARG  86           HE       ARG  86  -3.387   8.074  -8.665
  472    HB2  ARG  86           2HB      ARG  86  -3.890   4.887  -5.945
  473    HB3  ARG  86           3HB      ARG  86  -3.691   3.621  -6.942
  474    HG2  ARG  86           2HG      ARG  86  -2.950   5.646  -8.048
  475    HG3  ARG  86           3HG      ARG  86  -4.362   5.073  -8.949
  476    HD2  ARG  86           2HD      ARG  86  -5.843   6.619  -7.815
  477    HD3  ARG  86           3HD      ARG  86  -4.554   7.072  -6.681
  478   HH11  ARG  86          1HH2      ARG  86  -6.835   8.284  -8.067
  479   HH12  ARG  86          2HH2      ARG  86  -6.732   9.967  -7.621
  480   HH21  ARG  86          2HH1      ARG  86  -3.430  10.276  -8.426
  481   HH22  ARG  86          1HH1      ARG  86  -4.966  11.117  -8.262
  482    H    LEU  87           H        LEU  87  -5.622   3.018  -4.372
  483    HA   LEU  87           HA       LEU  87  -5.795   0.287  -5.370
  484    HG   LEU  87           HG       LEU  87  -3.729  -0.494  -5.189
  485    HB2  LEU  87           2HB      LEU  87  -4.221   1.598  -3.172
  486    HB3  LEU  87           3HB      LEU  87  -4.717  -0.054  -3.024
  487   HD11  LEU  87          1HD1      LEU  87  -3.054   2.348  -5.213
  488   HD12  LEU  87          2HD1      LEU  87  -1.923   1.190  -5.907
  489   HD13  LEU  87          3HD1      LEU  87  -3.604   1.200  -6.508
  490   HD21  LEU  87          3HD2      LEU  87  -1.767   0.751  -3.228
  491   HD22  LEU  87          1HD2      LEU  87  -2.393  -0.914  -3.143
  492   HD23  LEU  87          2HD2      LEU  87  -1.354  -0.431  -4.492
  493    H    ASN  88           H        ASN  88  -7.715   2.528  -3.633
  494    HA   ASN  88           HA       ASN  88  -8.484   0.793  -1.608
  495    HB2  ASN  88           2HB      ASN  88  -8.811   3.269  -1.595
  496    HB3  ASN  88           3HB      ASN  88 -10.217   3.046  -2.652
  497   HD21  ASN  88          2HD2      ASN  88 -11.583   3.889  -0.963
  498   HD22  ASN  88          1HD2      ASN  88 -11.779   3.028   0.549
  499    H    ASN  89           H        ASN  89  -9.181  -1.046  -1.740
  500    HA   ASN  89           HA       ASN  89 -10.303  -2.885  -2.036
  501    HB2  ASN  89           2HB      ASN  89 -12.137  -1.439  -1.155
  502    HB3  ASN  89           3HB      ASN  89 -12.737  -1.238  -2.794
  503   HD21  ASN  89          1HD2      ASN  89 -11.756  -3.668  -0.348
  504   HD22  ASN  89          2HD2      ASN  89 -12.960  -4.869  -0.803
  505    H    ILE  90           H        ILE  90  -8.625  -1.923  -4.086
  506    HA   ILE  90           HA       ILE  90  -9.858  -2.851  -6.607
  507    HB   ILE  90           HB       ILE  90  -7.868  -2.355  -7.791
  508   HG12  ILE  90          2HG1      ILE  90  -6.068  -1.060  -6.739
  509   HG13  ILE  90          3HG1      ILE  90  -6.377  -2.004  -5.257
  510   HG21  ILE  90          1HG2      ILE  90  -8.526  -0.081  -5.861
  511   HG22  ILE  90          2HG2      ILE  90  -7.943   0.054  -7.538
  512   HG23  ILE  90          3HG2      ILE  90  -9.554  -0.584  -7.215
  513   HD11  ILE  90          3HD1      ILE  90  -4.560  -2.680  -6.914
  514   HD12  ILE  90          1HD1      ILE  90  -5.680  -3.991  -6.433
  515   HD13  ILE  90          2HD1      ILE  90  -5.829  -3.186  -8.023
  516    H    GLU  91           H        GLU  91  -9.482  -4.582  -7.701
  517    HA   GLU  91           HA       GLU  91  -8.762  -6.951  -6.297
  518    HB2  GLU  91           2HB      GLU  91 -10.448  -6.804  -8.124
  519    HB3  GLU  91           3HB      GLU  91  -9.105  -6.499  -9.223
  520    HG2  GLU  91           2HG      GLU  91  -8.450  -8.880  -7.793
  521    HG3  GLU  91           3HG      GLU  91 -10.141  -9.032  -8.182
  522    H    PHE  92           H        PHE  92  -6.899  -7.527  -5.774
  523    HA   PHE  92           HA       PHE  92  -4.469  -6.668  -7.147
  524    HD1  PHE  92           HD1      PHE  92  -2.275  -7.888  -6.854
  525    HD2  PHE  92           HD2      PHE  92  -3.286  -7.535  -2.667
  526    HE1  PHE  92           HE1      PHE  92   0.086  -8.245  -6.258
  527    HE2  PHE  92           HE2      PHE  92  -0.899  -7.879  -2.085
  528    HZ   PHE  92           HZ       PHE  92   0.778  -8.138  -3.911
  529    HB2  PHE  92           2HB      PHE  92  -4.701  -6.421  -4.739
  530    HB3  PHE  92           3HB      PHE  92  -5.019  -8.038  -4.478
  531    H    ARG  93           H        ARG  93  -4.732  -8.031  -8.993
  532    HA   ARG  93           HA       ARG  93  -4.548  -9.831 -10.328
  533    HE   ARG  93           HE       ARG  93   1.341  -8.845  -9.585
  534    HB2  ARG  93           2HB      ARG  93  -2.484 -10.728  -8.273
  535    HB3  ARG  93           3HB      ARG  93  -2.617 -11.301  -9.939
  536    HG2  ARG  93           2HG      ARG  93  -2.227  -8.907 -10.706
  537    HG3  ARG  93           3HG      ARG  93  -1.784  -8.530  -9.027
  538    HD2  ARG  93           2HD      ARG  93  -0.159 -10.475  -9.112
  539    HD3  ARG  93           3HD      ARG  93  -0.499 -10.639 -10.829
  540   HH11  ARG  93          2HH1      ARG  93  -1.003  -8.450 -12.219
  541   HH12  ARG  93          1HH1      ARG  93   0.084  -7.287 -12.969
  542   HH21  ARG  93          2HH2      ARG  93   2.655  -7.636 -10.841
  543   HH22  ARG  93          1HH2      ARG  93   1.977  -6.958 -12.329
  544    H    GLY  94           H        GLY  94  -6.519 -10.240  -8.047
  545    HA2  GLY  94           2HA      GLY  94  -7.977 -12.345  -8.308
  546    HA3  GLY  94           3HA      GLY  94  -6.544 -13.226  -7.796
  547    H    SER  95           H        SER  95  -6.072 -10.674  -5.765
  548    HA   SER  95           HA       SER  95  -8.088 -11.548  -3.740
  549    HG   SER  95           HG       SER  95  -5.224 -12.447  -3.812
  550    HB2  SER  95           2HB      SER  95  -5.362 -10.188  -3.445
  551    HB3  SER  95           3HB      SER  95  -6.502 -10.527  -2.129
  552    H    VAL  96           H        VAL  96  -7.992  -9.110  -2.371
  553    HA   VAL  96           HA       VAL  96  -7.952  -6.938  -4.306
  554    HB   VAL  96           HB       VAL  96  -9.938  -5.933  -4.091
  555   HG11  VAL  96          1HG1      VAL  96 -11.780  -7.443  -4.607
  556   HG12  VAL  96          2HG1      VAL  96 -10.339  -7.992  -5.437
  557   HG13  VAL  96          3HG1      VAL  96 -10.868  -8.828  -3.975
  558   HG21  VAL  96          3HG2      VAL  96 -10.249  -5.992  -1.658
  559   HG22  VAL  96          1HG2      VAL  96 -11.711  -6.245  -2.605
  560   HG23  VAL  96          2HG2      VAL  96 -10.926  -7.646  -1.856
  561    H    ILE  97           H        ILE  97  -7.749  -4.770  -2.981
  562    HA   ILE  97           HA       ILE  97  -7.272  -5.244  -0.067
  563    HB   ILE  97           HB       ILE  97  -5.411  -3.498  -0.334
  564   HG12  ILE  97          2HG1      ILE  97  -5.208  -4.827  -3.065
  565   HG13  ILE  97          3HG1      ILE  97  -5.774  -3.174  -2.813
  566   HG21  ILE  97          1HG2      ILE  97  -5.158  -5.794   0.552
  567   HG22  ILE  97          2HG2      ILE  97  -4.826  -6.376  -1.092
  568   HG23  ILE  97          3HG2      ILE  97  -3.728  -5.217  -0.289
  569   HD11  ILE  97          3HD1      ILE  97  -3.618  -2.611  -1.723
  570   HD12  ILE  97          1HD1      ILE  97  -2.994  -4.216  -2.208
  571   HD13  ILE  97          2HD1      ILE  97  -3.479  -3.043  -3.441
  572    H    THR  98           H        THR  98  -8.280  -3.917   1.139
  573    HA   THR  98           HA       THR  98  -9.425  -1.341   0.147
  574    HB   THR  98           HB       THR  98  -9.613  -2.586   2.882
  575    HG1  THR  98           1HG      THR  98 -11.655  -3.331   2.187
  576   HG21  THR  98          1HG2      THR  98 -11.587  -1.173   3.150
  577   HG22  THR  98          2HG2      THR  98 -10.206  -0.155   2.709
  578   HG23  THR  98          3HG2      THR  98 -11.423  -0.575   1.487
  579    H    VAL  99           H        VAL  99  -8.488   0.597   0.827
  580    HA   VAL  99           HA       VAL  99  -6.039   0.376   2.495
  581    HB   VAL  99           HB       VAL  99  -4.635   1.505   1.004
  582   HG11  VAL  99          1HG1      VAL  99  -4.311  -0.124  -0.674
  583   HG12  VAL  99          2HG1      VAL  99  -5.029  -0.974   0.691
  584   HG13  VAL  99          3HG1      VAL  99  -6.033  -0.580  -0.707
  585   HG21  VAL  99          3HG2      VAL  99  -5.848   3.059  -0.151
  586   HG22  VAL  99          1HG2      VAL  99  -5.588   1.842  -1.410
  587   HG23  VAL  99          2HG2      VAL  99  -7.139   1.919  -0.550
  588    H    GLU 100           H        GLU 100  -5.543   2.011   3.695
  589    HA   GLU 100           HA       GLU 100  -6.811   4.695   3.385
  590    HB2  GLU 100           2HB      GLU 100  -8.010   4.538   5.537
  591    HB3  GLU 100           3HB      GLU 100  -8.697   3.454   4.349
  592    HG2  GLU 100           2HG      GLU 100  -6.775   2.548   6.551
  593    HG3  GLU 100           3HG      GLU 100  -8.512   2.646   6.758
  594    H    ARG 101           H        ARG 101  -6.251   6.216   4.808
  595    HA   ARG 101           HA       ARG 101  -3.656   6.284   6.020
  596    HE   ARG 101           HE       ARG 101  -8.954   9.873   5.545
  597    HB2  ARG 101           2HB      ARG 101  -4.423   8.398   6.937
  598    HB3  ARG 101           3HB      ARG 101  -4.810   8.259   5.230
  599    HG2  ARG 101           2HG      ARG 101  -7.185   7.460   6.076
  600    HG3  ARG 101           3HG      ARG 101  -6.663   8.150   7.616
  601    HD2  ARG 101           2HD      ARG 101  -6.184  10.317   6.361
  602    HD3  ARG 101           3HD      ARG 101  -6.778   9.561   4.898
  603   HH11  ARG 101          2HH1      ARG 101  -7.016  10.380   8.451
  604   HH12  ARG 101          1HH1      ARG 101  -8.356  11.103   9.294
  605   HH21  ARG 101          1HH2      ARG 101 -10.608  10.768   6.721
  606   HH22  ARG 101          2HH2      ARG 101 -10.330  11.270   8.366
  607    H    ASP 102           H        ASP 102  -2.951   5.738   7.837
  608    HA   ASP 102           HA       ASP 102  -4.730   4.510   9.899
  609    HB2  ASP 102           2HB      ASP 102  -3.469   3.031   8.288
  610    HB3  ASP 102           3HB      ASP 102  -1.967   3.620   8.993
  611    H    ASP 103           H        ASP 103  -2.409   6.977   9.520
  612    HA   ASP 103           HA       ASP 103  -2.230   7.234  12.484
  613    HB2  ASP 103           2HB      ASP 103   0.040   7.689  12.471
  614    HB3  ASP 103           3HB      ASP 103  -0.101   6.289  11.415
  615    H    ASN 104           H        ASN 104  -3.377   8.704   9.751
  616    HA   ASN 104           HA       ASN 104  -3.368  11.390  10.961
  617    HB2  ASN 104           2HB      ASN 104  -1.443  11.157   9.281
  618    HB3  ASN 104           3HB      ASN 104  -2.671  10.959   8.034
  619   HD21  ASN 104          2HD2      ASN 104  -4.487  13.055   9.270
  620   HD22  ASN 104          1HD2      ASN 104  -3.675  14.564   8.852
  Start of MODEL   10
    1    HA   PRO  25           HA       PRO  25  10.241  14.904   8.162
    2    HB2  PRO  25           2HB      PRO  25  10.172  13.908   5.278
    3    HB3  PRO  25           3HB      PRO  25  11.567  14.572   6.195
    4    HG2  PRO  25           2HG      PRO  25  10.822  11.842   6.023
    5    HG3  PRO  25           3HG      PRO  25  11.866  12.523   7.304
    6    HD2  PRO  25           2HD      PRO  25   9.294  11.398   7.720
    7    HD3  PRO  25           3HD      PRO  25  10.229  12.389   8.860
    8    H    ALA  26           H        ALA  26   9.468  15.731   4.893
    9    HA   ALA  26           HA       ALA  26   8.191  18.210   5.364
   10    HB1  ALA  26           1HB      ALA  26   7.525  17.984   2.978
   11    HB2  ALA  26           2HB      ALA  26   9.214  17.480   3.228
   12    HB3  ALA  26           3HB      ALA  26   7.933  16.258   3.023
   13    H    LYS  27           H        LYS  27   6.852  15.048   4.693
   14    HA   LYS  27           HA       LYS  27   4.488  15.452   6.444
   15    HB2  LYS  27           2HB      LYS  27   4.276  14.946   3.578
   16    HB3  LYS  27           3HB      LYS  27   3.949  13.460   4.392
   17    HG2  LYS  27           2HG      LYS  27   2.558  16.095   5.022
   18    HG3  LYS  27           3HG      LYS  27   1.946  14.805   3.990
   19    HD2  LYS  27           2HD      LYS  27   2.230  13.254   6.056
   20    HD3  LYS  27           3HD      LYS  27   2.350  14.747   7.004
   21    HE2  LYS  27           2HE      LYS  27   0.052  13.759   5.295
   22    HE3  LYS  27           3HE      LYS  27   0.115  13.805   7.048
   23    HZ1  LYS  27           3HZ      LYS  27   0.143  16.245   6.940
   24    HZ2  LYS  27           1HZ      LYS  27   0.159  16.231   5.296
   25    HZ3  LYS  27           2HZ      LYS  27  -1.137  15.697   6.090
   26    H    ARG  28           H        ARG  28   3.890  13.432   7.397
   27    HA   ARG  28           HA       ARG  28   5.355  11.059   6.606
   28    HE   ARG  28           HE       ARG  28   4.199   9.631  11.307
   29    HB2  ARG  28           2HB      ARG  28   6.083  10.294   8.633
   30    HB3  ARG  28           3HB      ARG  28   6.838  11.833   8.397
   31    HG2  ARG  28           2HG      ARG  28   5.840  12.821  10.218
   32    HG3  ARG  28           3HG      ARG  28   4.350  11.885  10.107
   33    HD2  ARG  28           2HD      ARG  28   7.015  10.683  10.876
   34    HD3  ARG  28           3HD      ARG  28   5.844  11.293  12.050
   35   HH11  ARG  28          2HH1      ARG  28   7.468   8.791  10.316
   36   HH12  ARG  28          1HH1      ARG  28   6.936   7.259   9.647
   37   HH21  ARG  28          1HH2      ARG  28   3.640   7.689  10.524
   38   HH22  ARG  28          2HH2      ARG  28   4.843   6.693   9.687
   39    H    TYR  29           H        TYR  29   4.082   9.376   6.624
   40    HA   TYR  29           HA       TYR  29   1.611   9.371   8.198
   41    HD1  TYR  29           HD2      TYR  29   0.554   7.045   5.214
   42    HD2  TYR  29           HD1      TYR  29   2.444  10.759   3.980
   43    HE1  TYR  29           HE2      TYR  29   1.194   5.985   3.071
   44    HE2  TYR  29           HE1      TYR  29   2.816   9.785   1.793
   45    HH   TYR  29           HH       TYR  29   2.651   7.831   0.441
   46    HB2  TYR  29           2HB      TYR  29   0.131   9.162   6.360
   47    HB3  TYR  29           3HB      TYR  29   1.073  10.608   6.059
   48    H    ARG  30           H        ARG  30   0.646   7.305   8.168
   49    HA   ARG  30           HA       ARG  30   1.977   5.077   6.715
   50    HE   ARG  30           HE       ARG  30   3.748   0.814   8.140
   51    HB2  ARG  30           2HB      ARG  30   2.549   5.182   9.199
   52    HB3  ARG  30           3HB      ARG  30   0.840   5.016   9.518
   53    HG2  ARG  30           2HG      ARG  30   1.988   2.916   9.880
   54    HG3  ARG  30           3HG      ARG  30   0.856   2.740   8.529
   55    HD2  ARG  30           2HD      ARG  30   2.457   2.339   7.050
   56    HD3  ARG  30           3HD      ARG  30   3.520   3.621   7.631
   57   HH11  ARG  30          2HH1      ARG  30   4.776   3.913   9.429
   58   HH12  ARG  30          1HH1      ARG  30   5.721   3.167  10.684
   59   HH21  ARG  30          2HH2      ARG  30   5.271  -0.036   9.604
   60   HH22  ARG  30          1HH2      ARG  30   6.035   1.039  10.724
   61    H    ILE  31           H        ILE  31   0.539   3.848   5.618
   62    HA   ILE  31           HA       ILE  31  -2.384   4.131   6.170
   63    HB   ILE  31           HB       ILE  31  -2.869   3.483   3.859
   64   HG12  ILE  31          2HG1      ILE  31   0.067   3.839   3.218
   65   HG13  ILE  31          3HG1      ILE  31  -0.755   2.278   3.407
   66   HG21  ILE  31          1HG2      ILE  31  -2.854   5.844   4.396
   67   HG22  ILE  31          2HG2      ILE  31  -1.138   5.969   3.951
   68   HG23  ILE  31          3HG2      ILE  31  -2.362   5.579   2.725
   69   HD11  ILE  31          3HD1      ILE  31  -0.622   2.693   1.077
   70   HD12  ILE  31          1HD1      ILE  31  -2.319   2.923   1.559
   71   HD13  ILE  31          2HD1      ILE  31  -1.261   4.331   1.250
   72    H    THR  32           H        THR  32  -3.581   2.266   5.816
   73    HA   THR  32           HA       THR  32  -2.116  -0.351   6.091
   74    HB   THR  32           HB       THR  32  -4.749   0.672   7.169
   75    HG1  THR  32           1HG      THR  32  -3.708   0.498   9.064
   76   HG21  THR  32          1HG2      THR  32  -5.058  -1.597   8.235
   77   HG22  THR  32          2HG2      THR  32  -5.305  -1.552   6.485
   78   HG23  THR  32          3HG2      THR  32  -3.794  -2.221   7.152
   79    H    MET  33           H        MET  33  -2.626  -1.897   4.748
   80    HA   MET  33           HA       MET  33  -4.928  -1.581   2.929
   81    HB2  MET  33           2HB      MET  33  -2.198  -2.661   2.101
   82    HB3  MET  33           3HB      MET  33  -3.560  -2.291   1.058
   83    HG2  MET  33           2HG      MET  33  -3.251   0.155   2.034
   84    HG3  MET  33           3HG      MET  33  -1.686  -0.450   2.493
   85    HE1  MET  33           3HE      MET  33  -0.423  -1.493  -1.160
   86    HE2  MET  33           1HE      MET  33  -0.487  -2.022   0.542
   87    HE3  MET  33           2HE      MET  33  -1.864  -2.343  -0.525
   88    H    LYS  34           H        LYS  34  -6.296  -3.227   2.946
   89    HA   LYS  34           HA       LYS  34  -5.370  -6.034   3.153
   90    HB2  LYS  34           2HB      LYS  34  -7.407  -6.092   5.076
   91    HB3  LYS  34           3HB      LYS  34  -5.862  -6.336   5.268
   92    HG2  LYS  34           2HG      LYS  34  -6.656  -4.770   6.954
   93    HG3  LYS  34           3HG      LYS  34  -5.835  -3.667   5.834
   94    HD2  LYS  34           2HD      LYS  34  -8.034  -3.349   4.635
   95    HD3  LYS  34           3HD      LYS  34  -8.804  -4.458   5.752
   96    HE2  LYS  34           2HE      LYS  34  -8.476  -2.979   7.626
   97    HE3  LYS  34           3HE      LYS  34  -7.454  -1.895   6.672
   98    HZ1  LYS  34           3HZ      LYS  34  -9.739  -1.065   6.842
   99    HZ2  LYS  34           1HZ      LYS  34  -9.298  -1.285   5.333
  100    HZ3  LYS  34           2HZ      LYS  34 -10.320  -2.392   6.047
  101    H    ASN  35           H        ASN  35  -7.030  -7.545   3.093
  102    HA   ASN  35           HA       ASN  35  -9.522  -6.897   3.608
  103    HB2  ASN  35           2HB      ASN  35  -9.994  -5.719   1.734
  104    HB3  ASN  35           3HB      ASN  35  -9.007  -6.646   0.666
  105   HD21  ASN  35          2HD2      ASN  35 -10.018  -7.803  -0.809
  106   HD22  ASN  35          1HD2      ASN  35 -11.704  -8.316  -0.744
  107    H    LEU  36           H        LEU  36 -11.164  -8.804   3.195
  108    HA   LEU  36           HA       LEU  36 -10.160 -10.888   4.619
  109    HG   LEU  36           HG       LEU  36 -12.149 -13.201   3.614
  110    HB2  LEU  36           2HB      LEU  36 -12.509 -10.278   4.414
  111    HB3  LEU  36           3HB      LEU  36 -12.569 -10.895   2.769
  112   HD11  LEU  36          1HD1      LEU  36 -12.404 -13.647   6.052
  113   HD12  LEU  36          2HD1      LEU  36 -10.938 -12.724   5.710
  114   HD13  LEU  36          3HD1      LEU  36 -12.369 -11.899   6.371
  115   HD21  LEU  36          3HD2      LEU  36 -14.365 -13.501   4.625
  116   HD22  LEU  36          1HD2      LEU  36 -14.472 -11.756   4.956
  117   HD23  LEU  36          2HD2      LEU  36 -14.439 -12.356   3.278
  118    HA   PRO  37           HA       PRO  37  -9.453 -13.852   0.864
  119    HB2  PRO  37           2HB      PRO  37  -8.675 -11.939  -1.312
  120    HB3  PRO  37           3HB      PRO  37  -9.631 -13.446  -1.419
  121    HG2  PRO  37           2HG      PRO  37 -10.825 -11.010  -1.596
  122    HG3  PRO  37           3HG      PRO  37 -11.599 -12.339  -0.664
  123    HD2  PRO  37           2HD      PRO  37  -9.841 -10.100   0.378
  124    HD3  PRO  37           3HD      PRO  37 -11.461 -10.603   0.956
  125    H    GLU  38           H        GLU  38  -7.567 -11.193   1.988
  126    HA   GLU  38           HA       GLU  38  -5.052 -12.471   1.044
  127    HB2  GLU  38           2HB      GLU  38  -6.088  -9.665   0.694
  128    HB3  GLU  38           3HB      GLU  38  -4.383  -9.822   1.042
  129    HG2  GLU  38           2HG      GLU  38  -5.838 -11.162  -1.217
  130    HG3  GLU  38           3HG      GLU  38  -4.817  -9.715  -1.342
  131    H    GLY  39           H        GLY  39  -3.304 -12.365   2.002
  132    HA2  GLY  39           2HA      GLY  39  -2.964 -11.024   4.663
  133    HA3  GLY  39           3HA      GLY  39  -2.162 -12.528   4.200
  134    H    CYS  40           H        CYS  40  -2.014 -11.319   1.318
  135    HA   CYS  40           HA       CYS  40  -0.246 -10.864   0.065
  136    HG   CYS  40           HG       CYS  40  -2.669  -9.006   1.271
  137    HB2  CYS  40           2HB      CYS  40  -0.102  -8.289   1.681
  138    HB3  CYS  40           3HB      CYS  40   0.338  -8.569  -0.007
  139    H    SER  41           H        SER  41   2.020  -9.235   0.637
  140    HA   SER  41           HA       SER  41   3.473  -9.747   2.980
  141    HG   SER  41           HG       SER  41   3.148 -12.312   2.360
  142    HB2  SER  41           2HB      SER  41   4.371 -11.360   0.550
  143    HB3  SER  41           3HB      SER  41   5.491 -10.823   1.826
  144    H    TRP  42           H        TRP  42   5.682  -8.516   2.746
  145    HA   TRP  42           HA       TRP  42   5.004  -6.152   1.394
  146    HD1  TRP  42           HD1      TRP  42   9.572  -5.068   2.024
  147    HE1  TRP  42           HE1      TRP  42   9.732  -2.862   0.721
  148    HE3  TRP  42           HE3      TRP  42   4.577  -4.257   1.064
  149    HZ2  TRP  42           HZ2      TRP  42   7.941  -1.154  -0.845
  150    HZ3  TRP  42           HZ3      TRP  42   3.882  -2.449  -0.405
  151    HH2  TRP  42           HH2      TRP  42   5.497  -0.856  -1.331
  152    HB2  TRP  42           2HB      TRP  42   6.518  -6.002   3.216
  153    HB3  TRP  42           3HB      TRP  42   7.728  -6.944   2.393
  154    H    GLN  43           H        GLN  43   7.179  -8.759   0.196
  155    HA   GLN  43           HA       GLN  43   7.823  -7.406  -2.151
  156    HB2  GLN  43           2HB      GLN  43   8.188  -9.668  -3.185
  157    HB3  GLN  43           3HB      GLN  43   8.971  -9.496  -1.617
  158    HG2  GLN  43           2HG      GLN  43   7.522 -10.989  -0.559
  159    HG3  GLN  43           3HG      GLN  43   6.190 -10.679  -1.649
  160   HE21  GLN  43          2HE2      GLN  43   5.745 -12.207  -3.210
  161   HE22  GLN  43          1HE2      GLN  43   6.912 -13.441  -3.699
  162    H    ASP  44           H        ASP  44   4.788  -8.747  -1.422
  163    HA   ASP  44           HA       ASP  44   3.927  -9.046  -4.225
  164    HB2  ASP  44           2HB      ASP  44   2.550  -9.317  -1.509
  165    HB3  ASP  44           3HB      ASP  44   1.841  -9.579  -3.062
  166    H    LEU  45           H        LEU  45   3.318  -6.992  -1.376
  167    HA   LEU  45           HA       LEU  45   1.642  -5.102  -2.805
  168    HG   LEU  45           HG       LEU  45   0.863  -6.519  -0.363
  169    HB2  LEU  45           2HB      LEU  45   2.991  -5.285  -0.111
  170    HB3  LEU  45           3HB      LEU  45   2.204  -3.813  -0.619
  171   HD11  LEU  45          1HD1      LEU  45  -0.272  -5.341   1.528
  172   HD12  LEU  45          2HD1      LEU  45   1.488  -5.449   1.733
  173   HD13  LEU  45          3HD1      LEU  45   0.765  -3.917   1.196
  174   HD21  LEU  45          3HD2      LEU  45  -0.444  -5.430  -2.031
  175   HD22  LEU  45          1HD2      LEU  45  -1.275  -5.011  -0.524
  176   HD23  LEU  45          2HD2      LEU  45  -0.198  -3.842  -1.311
  177    H    LYS  46           H        LYS  46   5.142  -5.369  -2.345
  178    HA   LYS  46           HA       LYS  46   5.929  -2.782  -3.366
  179    HB2  LYS  46           2HB      LYS  46   7.230  -5.224  -2.653
  180    HB3  LYS  46           3HB      LYS  46   7.555  -5.072  -4.354
  181    HG2  LYS  46           2HG      LYS  46   8.282  -3.116  -2.180
  182    HG3  LYS  46           3HG      LYS  46   9.351  -4.227  -2.991
  183    HD2  LYS  46           2HD      LYS  46   9.111  -3.014  -5.085
  184    HD3  LYS  46           3HD      LYS  46   7.945  -1.882  -4.334
  185    HE2  LYS  46           2HE      LYS  46   9.598  -1.037  -2.813
  186    HE3  LYS  46           3HE      LYS  46  10.749  -2.307  -3.243
  187    HZ1  LYS  46           3HZ      LYS  46   9.846  -0.207  -5.165
  188    HZ2  LYS  46           1HZ      LYS  46  11.241  -0.160  -4.324
  189    HZ3  LYS  46           2HZ      LYS  46  11.001  -1.336  -5.417
  190    H    ASP  47           H        ASP  47   5.367  -5.914  -4.928
  191    HA   ASP  47           HA       ASP  47   5.476  -5.027  -7.623
  192    HB2  ASP  47           2HB      ASP  47   4.891  -7.490  -6.275
  193    HB3  ASP  47           3HB      ASP  47   3.550  -7.169  -7.332
  194    H    LEU  48           H        LEU  48   2.434  -5.496  -5.763
  195    HA   LEU  48           HA       LEU  48   0.956  -4.255  -7.806
  196    HG   LEU  48           HG       LEU  48  -1.312  -3.531  -7.388
  197    HB2  LEU  48           2HB      LEU  48  -0.138  -5.524  -6.081
  198    HB3  LEU  48           3HB      LEU  48   0.234  -4.309  -4.864
  199   HD11  LEU  48          1HD1      LEU  48  -3.429  -3.798  -5.975
  200   HD12  LEU  48          2HD1      LEU  48  -2.685  -5.286  -6.548
  201   HD13  LEU  48          3HD1      LEU  48  -2.473  -4.737  -4.844
  202   HD21  LEU  48          3HD2      LEU  48  -0.677  -1.694  -6.049
  203   HD22  LEU  48          1HD2      LEU  48  -2.382  -1.960  -5.856
  204   HD23  LEU  48          2HD2      LEU  48  -1.283  -2.518  -4.563
  205    H    ALA  49           H        ALA  49   2.609  -2.612  -5.034
  206    HA   ALA  49           HA       ALA  49   1.555  -0.077  -5.622
  207    HB1  ALA  49           1HB      ALA  49   4.178  -1.037  -4.451
  208    HB2  ALA  49           2HB      ALA  49   3.711   0.686  -4.496
  209    HB3  ALA  49           3HB      ALA  49   2.693  -0.470  -3.611
  210    H    ARG  50           H        ARG  50   4.309  -1.731  -7.184
  211    HA   ARG  50           HA       ARG  50   4.989   0.567  -8.903
  212    HE   ARG  50           HE       ARG  50   7.164  -4.191  -7.727
  213    HB2  ARG  50           2HB      ARG  50   5.578  -2.419  -8.990
  214    HB3  ARG  50           3HB      ARG  50   6.243  -1.281 -10.167
  215    HG2  ARG  50           2HG      ARG  50   7.760  -0.433  -8.755
  216    HG3  ARG  50           3HG      ARG  50   6.660  -0.326  -7.400
  217    HD2  ARG  50           2HD      ARG  50   8.740  -1.825  -7.395
  218    HD3  ARG  50           3HD      ARG  50   7.368  -2.205  -6.425
  219   HH11  ARG  50          1HH2      ARG  50   9.264  -2.050  -9.541
  220   HH12  ARG  50          2HH2      ARG  50   9.588  -3.261 -10.750
  221   HH21  ARG  50          2HH1      ARG  50   7.621  -5.693  -9.292
  222   HH22  ARG  50          1HH1      ARG  50   8.675  -5.253 -10.611
  223    H    GLU  51           H        GLU  51   3.008  -2.274  -9.176
  224    HA   GLU  51           HA       GLU  51   1.898  -1.898 -11.796
  225    HB2  GLU  51           2HB      GLU  51   0.195  -2.749  -9.444
  226    HB3  GLU  51           3HB      GLU  51  -0.245  -2.792 -11.047
  227    HG2  GLU  51           2HG      GLU  51   2.163  -4.228  -9.924
  228    HG3  GLU  51           3HG      GLU  51   0.637  -4.959  -9.867
  229    H    ASN  52           H        ASN  52   1.265  -0.192  -8.907
  230    HA   ASN  52           HA       ASN  52  -0.914   1.428 -10.095
  231    HB2  ASN  52           2HB      ASN  52  -0.117   0.237  -7.442
  232    HB3  ASN  52           3HB      ASN  52  -0.979   1.653  -7.372
  233   HD21  ASN  52          2HD2      ASN  52  -1.056  -1.643  -8.304
  234   HD22  ASN  52          1HD2      ASN  52  -2.805  -1.754  -8.490
  235    H    SER  53           H        SER  53   2.344   1.873  -9.398
  236    HA   SER  53           HA       SER  53   3.714   3.657  -9.433
  237    HG   SER  53           HG       SER  53   2.028   3.566 -11.776
  238    HB2  SER  53           2HB      SER  53   1.354   5.318 -10.383
  239    HB3  SER  53           3HB      SER  53   3.051   5.824 -10.363
  240    H    LEU  54           H        LEU  54   2.319   2.797  -7.122
  241    HA   LEU  54           HA       LEU  54   2.005   5.061  -5.246
  242    HG   LEU  54           HG       LEU  54   0.149   2.050  -4.419
  243    HB2  LEU  54           2HB      LEU  54   2.174   2.063  -5.142
  244    HB3  LEU  54           3HB      LEU  54   2.766   2.869  -3.728
  245   HD11  LEU  54          1HD1      LEU  54   1.108   3.591  -1.965
  246   HD12  LEU  54          2HD1      LEU  54  -0.308   2.528  -2.079
  247   HD13  LEU  54          3HD1      LEU  54   1.306   1.848  -2.206
  248   HD21  LEU  54          3HD2      LEU  54  -0.211   4.291  -5.423
  249   HD22  LEU  54          1HD2      LEU  54  -1.223   3.942  -4.040
  250   HD23  LEU  54          2HD2      LEU  54   0.169   5.027  -3.833
  251    H    GLU  55           H        GLU  55   4.419   2.464  -5.657
  252    HA   GLU  55           HA       GLU  55   6.332   2.213  -4.465
  253    HB2  GLU  55           2HB      GLU  55   6.910   2.540  -6.760
  254    HB3  GLU  55           3HB      GLU  55   7.018   4.299  -6.543
  255    HG2  GLU  55           2HG      GLU  55   8.938   4.208  -5.452
  256    HG3  GLU  55           3HG      GLU  55   8.562   2.803  -4.508
  257    H    THR  56           H        THR  56   5.338   3.002  -2.493
  258    HA   THR  56           HA       THR  56   6.201   5.548  -1.389
  259    HB   THR  56           HB       THR  56   5.197   4.975   0.548
  260    HG1  THR  56           1HG      THR  56   5.207   3.021   1.424
  261   HG21  THR  56          1HG2      THR  56   3.453   4.842  -1.182
  262   HG22  THR  56          2HG2      THR  56   3.664   3.088  -1.266
  263   HG23  THR  56          3HG2      THR  56   3.094   3.861   0.223
  264    H    THR  57           H        THR  57   7.465   5.005   1.001
  265    HA   THR  57           HA       THR  57  10.201   4.376   0.264
  266    HB   THR  57           HB       THR  57   9.006   4.415   3.059
  267    HG1  THR  57           1HG      THR  57   9.573   6.649   3.044
  268   HG21  THR  57          1HG2      THR  57  11.323   3.687   2.987
  269   HG22  THR  57          2HG2      THR  57  11.775   5.122   2.025
  270   HG23  THR  57          3HG2      THR  57  11.212   5.298   3.705
  271    H    PHE  58           H        PHE  58   7.602   2.796   2.123
  272    HA   PHE  58           HA       PHE  58   8.668   0.114   1.890
  273    HD1  PHE  58           HD2      PHE  58   9.088   3.398   4.973
  274    HD2  PHE  58           HD1      PHE  58   8.466  -0.797   5.767
  275    HE1  PHE  58           HE2      PHE  58   8.516   3.915   7.324
  276    HE2  PHE  58           HE1      PHE  58   7.763  -0.253   8.080
  277    HZ   PHE  58           HZ       PHE  58   7.810   2.108   8.872
  278    HB2  PHE  58           2HB      PHE  58   9.761  -0.062   3.856
  279    HB3  PHE  58           3HB      PHE  58  10.130   1.583   3.557
  280    H    SER  59           H        SER  59   7.534  -1.413   3.360
  281    HA   SER  59           HA       SER  59   5.118  -0.378   4.707
  282    HG   SER  59           HG       SER  59   3.751  -3.176   4.586
  283    HB2  SER  59           2HB      SER  59   4.268  -1.231   2.587
  284    HB3  SER  59           3HB      SER  59   5.098  -2.738   2.859
  285    H    SER  60           H        SER  60   4.590  -1.459   6.491
  286    HA   SER  60           HA       SER  60   6.220  -3.742   7.534
  287    HG   SER  60           HG       SER  60   6.661  -2.401   9.589
  288    HB2  SER  60           2HB      SER  60   4.004  -2.000   8.672
  289    HB3  SER  60           3HB      SER  60   4.655  -3.419   9.517
  290    H    VAL  61           H        VAL  61   5.527  -5.726   6.871
  291    HA   VAL  61           HA       VAL  61   2.606  -6.323   6.764
  292    HB   VAL  61           HB       VAL  61   4.467  -7.559   4.713
  293   HG11  VAL  61          1HG1      VAL  61   1.441  -7.203   4.937
  294   HG12  VAL  61          2HG1      VAL  61   2.244  -7.838   3.511
  295   HG13  VAL  61          3HG1      VAL  61   2.342  -8.731   5.023
  296   HG21  VAL  61          3HG2      VAL  61   2.826  -5.045   4.362
  297   HG22  VAL  61          1HG2      VAL  61   4.577  -5.203   4.143
  298   HG23  VAL  61          2HG2      VAL  61   3.469  -5.992   3.014
  299    H    ASN  62           H        ASN  62   2.173  -8.581   7.255
  300    HA   ASN  62           HA       ASN  62   2.431 -10.560   8.335
  301    HB2  ASN  62           2HB      ASN  62   5.337 -10.407   7.395
  302    HB3  ASN  62           3HB      ASN  62   4.472 -11.854   7.887
  303   HD21  ASN  62          1HD2      ASN  62   5.579 -10.222   5.167
  304   HD22  ASN  62          2HD2      ASN  62   4.498 -11.114   4.092
  305    H    THR  63           H        THR  63   2.727  -8.171   9.988
  306    HA   THR  63           HA       THR  63   4.360  -9.220  12.243
  307    HB   THR  63           HB       THR  63   5.916  -8.072  10.684
  308    HG1  THR  63           1HG      THR  63   5.596  -6.993  13.265
  309   HG21  THR  63          1HG2      THR  63   4.467  -6.234   9.892
  310   HG22  THR  63          2HG2      THR  63   4.529  -5.488  11.497
  311   HG23  THR  63          3HG2      THR  63   6.009  -5.660  10.536
  312    H    ARG  64           H        ARG  64   1.734  -7.206  11.270
  313    HA   ARG  64           HA       ARG  64   1.097  -6.434  14.073
  314    HE   ARG  64           HE       ARG  64  -0.668  -3.581  11.701
  315    HB2  ARG  64           2HB      ARG  64   2.654  -4.663  13.145
  316    HB3  ARG  64           3HB      ARG  64   1.528  -4.406  11.830
  317    HG2  ARG  64           2HG      ARG  64  -0.051  -4.084  14.187
  318    HG3  ARG  64           3HG      ARG  64   1.508  -3.410  14.615
  319    HD2  ARG  64           2HD      ARG  64   0.052  -1.682  13.724
  320    HD3  ARG  64           3HD      ARG  64   1.437  -1.922  12.644
  321   HH11  ARG  64          2HH1      ARG  64  -0.203  -0.176  12.130
  322   HH12  ARG  64          1HH1      ARG  64  -1.284   0.300  10.870
  323   HH21  ARG  64          1HH2      ARG  64  -1.899  -2.990   9.877
  324   HH22  ARG  64          2HH2      ARG  64  -2.181  -1.297   9.558
  325    H    ASP  65           H        ASP  65  -0.178  -8.319  12.641
  326    HA   ASP  65           HA       ASP  65  -2.607  -7.015  11.437
  327    HB2  ASP  65           2HB      ASP  65  -1.056  -9.300  10.197
  328    HB3  ASP  65           3HB      ASP  65  -2.303  -8.325   9.476
  329    H    PHE  66           H        PHE  66  -4.260  -8.510  10.748
  330    HA   PHE  66           HA       PHE  66  -5.029 -10.569  12.584
  331    HD1  PHE  66           HD1      PHE  66  -5.032  -8.870   8.654
  332    HD2  PHE  66           HD2      PHE  66  -7.696 -12.091   9.736
  333    HE1  PHE  66           HE1      PHE  66  -5.339  -9.424   6.260
  334    HE2  PHE  66           HE2      PHE  66  -8.070 -12.580   7.325
  335    HZ   PHE  66           HZ       PHE  66  -6.912 -11.241   5.592
  336    HB2  PHE  66           2HB      PHE  66  -6.952 -10.629  11.393
  337    HB3  PHE  66           3HB      PHE  66  -6.371  -9.038  10.942
  338    H    ASP  67           H        ASP  67  -3.195 -10.561   9.604
  339    HA   ASP  67           HA       ASP  67  -1.684 -12.810  10.338
  340    HB2  ASP  67           2HB      ASP  67  -2.107 -14.493   8.879
  341    HB3  ASP  67           3HB      ASP  67  -3.741 -14.016   9.282
  342    H    GLY  68           H        GLY  68  -2.723 -10.673   7.695
  343    HA2  GLY  68           2HA      GLY  68  -0.163  -9.332   7.696
  344    HA3  GLY  68           3HA      GLY  68  -0.441 -10.284   6.242
  345    H    THR  69           H        THR  69  -0.677  -7.265   7.398
  346    HA   THR  69           HA       THR  69  -2.480  -6.443   5.167
  347    HB   THR  69           HB       THR  69  -3.475  -4.716   6.300
  348    HG1  THR  69           1HG      THR  69  -1.663  -5.196   8.424
  349   HG21  THR  69          1HG2      THR  69  -4.676  -5.631   8.163
  350   HG22  THR  69          2HG2      THR  69  -4.426  -6.917   6.961
  351   HG23  THR  69          3HG2      THR  69  -3.434  -6.863   8.433
  352    H    GLY  70           H        GLY  70  -1.751  -4.652   4.064
  353    HA2  GLY  70           2HA      GLY  70   1.091  -4.054   4.007
  354    HA3  GLY  70           3HA      GLY  70  -0.191  -3.389   2.985
  355    H    ALA  71           H        ALA  71   1.545  -2.919   6.060
  356    HA   ALA  71           HA       ALA  71   0.220  -0.313   6.239
  357    HB1  ALA  71           1HB      ALA  71   0.251  -1.460   8.302
  358    HB2  ALA  71           2HB      ALA  71   1.989  -1.748   8.208
  359    HB3  ALA  71           3HB      ALA  71   1.372  -0.093   8.437
  360    H    LEU  72           H        LEU  72   0.944   0.789   4.523
  361    HA   LEU  72           HA       LEU  72   3.771   0.919   3.686
  362    HG   LEU  72           HG       LEU  72   1.598   0.995   0.598
  363    HB2  LEU  72           2HB      LEU  72   1.218   2.011   2.674
  364    HB3  LEU  72           3HB      LEU  72   2.675   2.575   2.065
  365   HD11  LEU  72          1HD1      LEU  72   4.398   0.503   1.544
  366   HD12  LEU  72          2HD1      LEU  72   3.635  -0.426   0.217
  367   HD13  LEU  72          3HD1      LEU  72   3.769   1.296   0.105
  368   HD21  LEU  72          3HD2      LEU  72   2.037  -1.069   2.713
  369   HD22  LEU  72          1HD2      LEU  72   0.523  -0.512   2.033
  370   HD23  LEU  72          2HD2      LEU  72   1.667  -1.419   1.023
  371    H    GLU  73           H        GLU  73   4.899   2.815   3.562
  372    HA   GLU  73           HA       GLU  73   3.932   5.319   5.013
  373    HB2  GLU  73           2HB      GLU  73   5.304   3.824   6.429
  374    HB3  GLU  73           3HB      GLU  73   6.593   3.917   5.255
  375    HG2  GLU  73           2HG      GLU  73   7.353   5.881   6.005
  376    HG3  GLU  73           3HG      GLU  73   5.772   6.613   6.057
  377    H    PHE  74           H        PHE  74   4.578   7.335   4.111
  378    HA   PHE  74           HA       PHE  74   6.994   7.454   2.455
  379    HD1  PHE  74           HD2      PHE  74   7.373   6.739   0.236
  380    HD2  PHE  74           HD1      PHE  74   5.386  10.483  -0.162
  381    HE1  PHE  74           HE2      PHE  74   9.058   7.412  -1.462
  382    HE2  PHE  74           HE1      PHE  74   7.116  11.247  -1.768
  383    HZ   PHE  74           HZ       PHE  74   8.950   9.703  -2.437
  384    HB2  PHE  74           2HB      PHE  74   4.642   7.318   0.992
  385    HB3  PHE  74           3HB      PHE  74   4.652   8.981   1.389
  386    HA   PRO  75           HA       PRO  75   7.209  11.523   4.399
  387    HB2  PRO  75           2HB      PRO  75   9.120  12.814   2.886
  388    HB3  PRO  75           3HB      PRO  75   9.459  11.506   4.054
  389    HG2  PRO  75           2HG      PRO  75   9.011  11.234   1.064
  390    HG3  PRO  75           3HG      PRO  75  10.401  10.630   2.031
  391    HD2  PRO  75           2HD      PRO  75   8.391   8.990   1.473
  392    HD3  PRO  75           3HD      PRO  75   9.045   9.009   3.124
  393    H    SER  76           H        SER  76   5.509  11.206   1.474
  394    HA   SER  76           HA       SER  76   4.584  14.049   1.710
  395    HG   SER  76           HG       SER  76   6.185  14.620  -1.268
  396    HB2  SER  76           2HB      SER  76   4.960  12.527  -0.840
  397    HB3  SER  76           3HB      SER  76   4.191  14.098  -0.691
  398    H    GLU  77           H        GLU  77   2.442  14.056   2.141
  399    HA   GLU  77           HA       GLU  77   0.754  11.839   2.018
  400    HB2  GLU  77           2HB      GLU  77  -1.136  13.387   2.267
  401    HB3  GLU  77           3HB      GLU  77   0.186  13.712   3.363
  402    HG2  GLU  77           2HG      GLU  77   0.933  15.491   1.575
  403    HG3  GLU  77           3HG      GLU  77  -0.700  15.298   0.936
  404    H    GLU  78           H        GLU  78   1.789  13.708  -0.652
  405    HA   GLU  78           HA       GLU  78  -0.123  13.380  -2.646
  406    HB2  GLU  78           2HB      GLU  78   2.878  12.800  -2.783
  407    HB3  GLU  78           3HB      GLU  78   1.838  13.112  -4.170
  408    HG2  GLU  78           2HG      GLU  78   1.458  15.415  -3.416
  409    HG3  GLU  78           3HG      GLU  78   2.371  15.121  -1.934
  410    H    ILE  79           H        ILE  79   2.275  10.900  -1.595
  411    HA   ILE  79           HA       ILE  79   1.205   8.889  -3.381
  412    HB   ILE  79           HB       ILE  79   3.175   8.434  -1.122
  413   HG12  ILE  79          2HG1      ILE  79   3.531   9.883  -3.679
  414   HG13  ILE  79          3HG1      ILE  79   4.303  10.106  -2.176
  415   HG21  ILE  79          1HG2      ILE  79   3.949   6.568  -2.541
  416   HG22  ILE  79          2HG2      ILE  79   2.229   6.399  -2.179
  417   HG23  ILE  79          3HG2      ILE  79   2.737   7.000  -3.765
  418   HD11  ILE  79          3HD1      ILE  79   5.726   8.012  -2.709
  419   HD12  ILE  79          1HD1      ILE  79   4.975   8.031  -4.313
  420   HD13  ILE  79          2HD1      ILE  79   5.952   9.401  -3.794
  421    H    LEU  80           H        LEU  80   0.616   9.765  -0.045
  422    HA   LEU  80           HA       LEU  80  -0.762   7.418   0.794
  423    HG   LEU  80           HG       LEU  80  -2.888  10.168   1.962
  424    HB2  LEU  80           2HB      LEU  80  -0.275   8.695   2.576
  425    HB3  LEU  80           3HB      LEU  80  -0.395  10.190   1.743
  426   HD11  LEU  80          1HD1      LEU  80  -3.967   8.759   3.547
  427   HD12  LEU  80          2HD1      LEU  80  -3.092   7.673   2.450
  428   HD13  LEU  80          3HD1      LEU  80  -2.429   8.042   4.062
  429   HD21  LEU  80          3HD2      LEU  80  -1.321  10.004   4.551
  430   HD22  LEU  80          1HD2      LEU  80  -1.479  11.441   3.519
  431   HD23  LEU  80          2HD2      LEU  80  -2.908  10.762   4.323
  432    H    VAL  81           H        VAL  81  -1.849  10.507  -0.657
  433    HA   VAL  81           HA       VAL  81  -4.698   9.853  -0.583
  434    HB   VAL  81           HB       VAL  81  -3.116  12.040  -2.052
  435   HG11  VAL  81          1HG1      VAL  81  -5.294  13.237  -2.304
  436   HG12  VAL  81          2HG1      VAL  81  -5.237  11.750  -3.242
  437   HG13  VAL  81          3HG1      VAL  81  -6.138  11.789  -1.710
  438   HG21  VAL  81          3HG2      VAL  81  -3.119  12.230   0.433
  439   HG22  VAL  81          1HG2      VAL  81  -3.957  13.561  -0.354
  440   HG23  VAL  81          2HG2      VAL  81  -4.892  12.249   0.411
  441    H    GLU  82           H        GLU  82  -2.109   9.685  -3.034
  442    HA   GLU  82           HA       GLU  82  -3.583   8.750  -5.175
  443    HB2  GLU  82           2HB      GLU  82  -0.885   8.549  -3.881
  444    HB3  GLU  82           3HB      GLU  82  -1.276   7.262  -4.862
  445    HG2  GLU  82           2HG      GLU  82  -0.656  10.089  -5.489
  446    HG3  GLU  82           3HG      GLU  82  -0.091   8.610  -6.247
  447    H    ALA  83           H        ALA  83  -1.903   6.617  -2.715
  448    HA   ALA  83           HA       ALA  83  -3.206   4.203  -3.392
  449    HB1  ALA  83           1HB      ALA  83  -1.306   4.590  -1.768
  450    HB2  ALA  83           2HB      ALA  83  -2.513   5.061  -0.564
  451    HB3  ALA  83           3HB      ALA  83  -2.539   3.416  -1.245
  452    H    LEU  84           H        LEU  84  -4.509   6.659  -1.213
  453    HA   LEU  84           HA       LEU  84  -6.833   5.097  -0.348
  454    HG   LEU  84           HG       LEU  84  -5.028   7.851   1.346
  455    HB2  LEU  84           2HB      LEU  84  -6.401   8.117  -0.331
  456    HB3  LEU  84           3HB      LEU  84  -7.728   7.322   0.394
  457   HD11  LEU  84          1HD1      LEU  84  -7.572   7.019   2.756
  458   HD12  LEU  84          2HD1      LEU  84  -6.121   7.738   3.501
  459   HD13  LEU  84          3HD1      LEU  84  -7.076   8.682   2.349
  460   HD21  LEU  84          3HD2      LEU  84  -4.586   5.504   1.077
  461   HD22  LEU  84          1HD2      LEU  84  -4.876   5.829   2.789
  462   HD23  LEU  84          2HD2      LEU  84  -6.166   5.085   1.760
  463    H    GLU  85           H        GLU  85  -6.184   7.077  -3.167
  464    HA   GLU  85           HA       GLU  85  -8.940   6.495  -4.034
  465    HB2  GLU  85           2HB      GLU  85  -6.790   8.280  -5.246
  466    HB3  GLU  85           3HB      GLU  85  -8.431   8.096  -5.892
  467    HG2  GLU  85           2HG      GLU  85  -9.386   9.160  -3.937
  468    HG3  GLU  85           3HG      GLU  85  -7.804   9.287  -3.170
  469    H    ARG  86           H        ARG  86  -5.878   5.001  -4.402
  470    HA   ARG  86           HA       ARG  86  -6.301   4.157  -7.252
  471    HE   ARG  86           HE       ARG  86  -3.775   8.168  -8.281
  472    HB2  ARG  86           2HB      ARG  86  -3.952   4.945  -5.544
  473    HB3  ARG  86           3HB      ARG  86  -3.632   3.679  -6.487
  474    HG2  ARG  86           2HG      ARG  86  -3.010   5.881  -7.512
  475    HG3  ARG  86           3HG      ARG  86  -4.135   5.009  -8.576
  476    HD2  ARG  86           2HD      ARG  86  -6.022   6.280  -7.831
  477    HD3  ARG  86           3HD      ARG  86  -5.098   6.935  -6.468
  478   HH11  ARG  86          2HH2      ARG  86  -7.285   7.842  -8.194
  479   HH12  ARG  86          1HH2      ARG  86  -7.463   9.492  -7.614
  480   HH21  ARG  86          1HH1      ARG  86  -4.208  10.310  -7.716
  481   HH22  ARG  86          2HH1      ARG  86  -5.881  10.818  -7.552
  482    H    LEU  87           H        LEU  87  -5.595   3.017  -3.983
  483    HA   LEU  87           HA       LEU  87  -5.768   0.238  -4.853
  484    HG   LEU  87           HG       LEU  87  -3.648  -0.407  -4.775
  485    HB2  LEU  87           2HB      LEU  87  -4.205   1.627  -2.709
  486    HB3  LEU  87           3HB      LEU  87  -4.647  -0.046  -2.594
  487   HD11  LEU  87          1HD1      LEU  87  -3.558   1.345  -6.029
  488   HD12  LEU  87          2HD1      LEU  87  -2.947   2.434  -4.728
  489   HD13  LEU  87          3HD1      LEU  87  -1.877   1.255  -5.503
  490   HD21  LEU  87          3HD2      LEU  87  -1.801   0.802  -2.677
  491   HD22  LEU  87          1HD2      LEU  87  -2.331  -0.894  -2.757
  492   HD23  LEU  87          2HD2      LEU  87  -1.247  -0.248  -3.999
  493    H    ASN  88           H        ASN  88  -7.735   2.578  -3.452
  494    HA   ASN  88           HA       ASN  88  -8.750   0.928  -1.348
  495    HB2  ASN  88           2HB      ASN  88  -8.773   3.424  -1.272
  496    HB3  ASN  88           3HB      ASN  88 -10.074   3.409  -2.472
  497   HD21  ASN  88          2HD2      ASN  88 -11.549   4.337  -0.948
  498   HD22  ASN  88          1HD2      ASN  88 -12.033   3.463   0.493
  499    H    ASN  89           H        ASN  89  -9.548  -0.936  -1.847
  500    HA   ASN  89           HA       ASN  89 -10.957  -2.536  -2.388
  501    HB2  ASN  89           2HB      ASN  89 -12.583  -0.864  -1.432
  502    HB3  ASN  89           3HB      ASN  89 -13.108  -0.542  -3.077
  503   HD21  ASN  89          1HD2      ASN  89 -12.563  -3.129  -0.638
  504   HD22  ASN  89          2HD2      ASN  89 -13.869  -4.159  -1.220
  505    H    ILE  90           H        ILE  90  -9.025  -2.158  -4.035
  506    HA   ILE  90           HA       ILE  90 -10.116  -2.455  -6.807
  507    HB   ILE  90           HB       ILE  90  -7.962  -1.866  -7.734
  508   HG12  ILE  90          2HG1      ILE  90  -6.319  -0.742  -6.446
  509   HG13  ILE  90          3HG1      ILE  90  -6.846  -1.653  -4.997
  510   HG21  ILE  90          1HG2      ILE  90  -8.749   0.221  -5.642
  511   HG22  ILE  90          2HG2      ILE  90  -8.138   0.489  -7.295
  512   HG23  ILE  90          3HG2      ILE  90  -9.763  -0.148  -7.059
  513   HD11  ILE  90          3HD1      ILE  90  -4.838  -2.343  -6.485
  514   HD12  ILE  90          1HD1      ILE  90  -5.933  -3.637  -5.951
  515   HD13  ILE  90          2HD1      ILE  90  -6.029  -2.990  -7.615
  516    H    GLU  91           H        GLU  91  -9.615  -4.148  -8.017
  517    HA   GLU  91           HA       GLU  91  -8.868  -6.587  -6.710
  518    HB2  GLU  91           2HB      GLU  91 -10.552  -6.536  -8.415
  519    HB3  GLU  91           3HB      GLU  91  -9.372  -5.879  -9.524
  520    HG2  GLU  91           2HG      GLU  91  -8.269  -8.319  -8.560
  521    HG3  GLU  91           3HG      GLU  91  -9.961  -8.638  -8.856
  522    H    PHE  92           H        PHE  92  -6.994  -7.002  -6.114
  523    HA   PHE  92           HA       PHE  92  -4.518  -6.104  -7.343
  524    HD1  PHE  92           HD2      PHE  92  -2.382  -7.770  -7.096
  525    HD2  PHE  92           HD1      PHE  92  -3.528  -7.237  -2.960
  526    HE1  PHE  92           HE2      PHE  92  -0.084  -8.268  -6.389
  527    HE2  PHE  92           HE1      PHE  92  -1.191  -7.710  -2.278
  528    HZ   PHE  92           HZ       PHE  92   0.522  -8.204  -3.993
  529    HB2  PHE  92           2HB      PHE  92  -4.933  -6.281  -4.888
  530    HB3  PHE  92           3HB      PHE  92  -5.189  -7.914  -4.973
  531    H    ARG  93           H        ARG  93  -4.948  -7.184  -9.427
  532    HA   ARG  93           HA       ARG  93  -4.644  -8.751 -11.029
  533    HE   ARG  93           HE       ARG  93   0.304  -7.453 -11.073
  534    HB2  ARG  93           2HB      ARG  93  -2.800 -10.020  -8.975
  535    HB3  ARG  93           3HB      ARG  93  -2.796 -10.376 -10.694
  536    HG2  ARG  93           2HG      ARG  93  -2.027  -8.166 -11.265
  537    HG3  ARG  93           3HG      ARG  93  -2.158  -7.612  -9.577
  538    HD2  ARG  93           2HD      ARG  93  -0.499  -9.175  -8.829
  539    HD3  ARG  93           3HD      ARG  93  -0.475 -10.012 -10.396
  540   HH11  ARG  93          1HH1      ARG  93   1.608  -9.769  -8.722
  541   HH12  ARG  93          2HH1      ARG  93   3.238  -9.156  -9.026
  542   HH21  ARG  93          2HH2      ARG  93   2.364  -6.956 -11.415
  543   HH22  ARG  93          1HH2      ARG  93   3.651  -7.703 -10.418
  544    H    GLY  94           H        GLY  94  -6.460  -9.676  -8.507
  545    HA2  GLY  94           2HA      GLY  94  -7.955 -11.777  -9.343
  546    HA3  GLY  94           3HA      GLY  94  -6.464 -12.587  -8.839
  547    H    SER  95           H        SER  95  -6.183 -10.297  -6.606
  548    HA   SER  95           HA       SER  95  -8.193 -11.359  -4.679
  549    HG   SER  95           HG       SER  95  -4.881 -11.951  -3.390
  550    HB2  SER  95           2HB      SER  95  -5.477  -9.993  -4.305
  551    HB3  SER  95           3HB      SER  95  -6.616 -10.393  -3.022
  552    H    VAL  96           H        VAL  96  -8.241  -9.138  -3.073
  553    HA   VAL  96           HA       VAL  96  -8.123  -6.696  -4.642
  554    HB   VAL  96           HB       VAL  96 -10.181  -6.383  -5.188
  555   HG11  VAL  96          1HG1      VAL  96 -11.097  -8.661  -3.488
  556   HG12  VAL  96          2HG1      VAL  96 -12.108  -7.718  -4.624
  557   HG13  VAL  96          3HG1      VAL  96 -10.736  -8.625  -5.247
  558   HG21  VAL  96          3HG2      VAL  96 -10.977  -6.150  -2.306
  559   HG22  VAL  96          1HG2      VAL  96 -10.307  -4.870  -3.349
  560   HG23  VAL  96          2HG2      VAL  96 -11.865  -5.583  -3.736
  561    H    ILE  97           H        ILE  97  -7.916  -4.864  -3.227
  562    HA   ILE  97           HA       ILE  97  -7.651  -5.387  -0.291
  563    HB   ILE  97           HB       ILE  97  -5.823  -3.603  -0.399
  564   HG12  ILE  97          2HG1      ILE  97  -5.580  -4.649  -3.252
  565   HG13  ILE  97          3HG1      ILE  97  -6.109  -3.025  -2.807
  566   HG21  ILE  97          1HG2      ILE  97  -5.490  -5.944   0.294
  567   HG22  ILE  97          2HG2      ILE  97  -5.114  -6.381  -1.383
  568   HG23  ILE  97          3HG2      ILE  97  -4.077  -5.238  -0.465
  569   HD11  ILE  97          3HD1      ILE  97  -3.823  -2.910  -3.503
  570   HD12  ILE  97          1HD1      ILE  97  -3.861  -2.641  -1.746
  571   HD13  ILE  97          2HD1      ILE  97  -3.342  -4.217  -2.416
  572    H    THR  98           H        THR  98  -8.116  -3.678   1.047
  573    HA   THR  98           HA       THR  98  -9.433  -1.214  -0.068
  574    HB   THR  98           HB       THR  98  -9.905  -2.707   2.504
  575    HG1  THR  98           1HG      THR  98 -11.892  -3.230   1.632
  576   HG21  THR  98          1HG2      THR  98 -11.758  -1.225   2.956
  577   HG22  THR  98          2HG2      THR  98 -10.288  -0.260   2.791
  578   HG23  THR  98          3HG2      THR  98 -11.459  -0.330   1.451
  579    H    VAL  99           H        VAL  99  -8.702   0.734   0.930
  580    HA   VAL  99           HA       VAL  99  -6.399   0.422   2.765
  581    HB   VAL  99           HB       VAL  99  -4.836   1.555   1.443
  582   HG11  VAL  99          1HG1      VAL  99  -5.247  -0.889   0.937
  583   HG12  VAL  99          2HG1      VAL  99  -6.194  -0.405  -0.454
  584   HG13  VAL  99          3HG1      VAL  99  -4.480   0.023  -0.357
  585   HG21  VAL  99          3HG2      VAL  99  -7.125   1.962  -0.452
  586   HG22  VAL  99          1HG2      VAL  99  -6.106   3.195   0.309
  587   HG23  VAL  99          2HG2      VAL  99  -5.422   2.150  -0.930
  588    H    GLU 100           H        GLU 100  -5.696   2.155   3.845
  589    HA   GLU 100           HA       GLU 100  -7.099   4.772   3.726
  590    HB2  GLU 100           2HB      GLU 100  -8.127   4.387   5.997
  591    HB3  GLU 100           3HB      GLU 100  -8.857   3.393   4.765
  592    HG2  GLU 100           2HG      GLU 100  -6.656   1.947   6.085
  593    HG3  GLU 100           3HG      GLU 100  -7.728   2.647   7.277
  594    H    ARG 101           H        ARG 101  -6.422   6.271   5.160
  595    HA   ARG 101           HA       ARG 101  -3.763   6.323   6.197
  596    HE   ARG 101           HE       ARG 101  -6.249  10.301   8.378
  597    HB2  ARG 101           2HB      ARG 101  -4.478   8.394   7.198
  598    HB3  ARG 101           3HB      ARG 101  -5.060   8.281   5.560
  599    HG2  ARG 101           2HG      ARG 101  -7.282   7.387   6.643
  600    HG3  ARG 101           3HG      ARG 101  -6.629   8.047   8.138
  601    HD2  ARG 101           2HD      ARG 101  -6.676   9.823   5.681
  602    HD3  ARG 101           3HD      ARG 101  -8.215   9.403   6.425
  603   HH11  ARG 101          2HH2      ARG 101  -8.828  11.440   6.280
  604   HH12  ARG 101          1HH2      ARG 101  -9.060  12.890   7.213
  605   HH21  ARG 101          2HH1      ARG 101  -6.456  12.197   9.385
  606   HH22  ARG 101          1HH1      ARG 101  -7.751  13.308   8.965
  607    H    ASP 102           H        ASP 102  -2.891   5.786   8.031
  608    HA   ASP 102           HA       ASP 102  -4.516   4.320  10.067
  609    HB2  ASP 102           2HB      ASP 102  -3.237   2.988   8.361
  610    HB3  ASP 102           3HB      ASP 102  -1.754   3.691   8.978
  611    H    ASP 103           H        ASP 103  -1.892   6.677   9.776
  612    HA   ASP 103           HA       ASP 103  -1.974   6.975  12.751
  613    HB2  ASP 103           2HB      ASP 103   0.314   7.299  12.922
  614    HB3  ASP 103           3HB      ASP 103   0.199   5.928  11.826
  615    H    ASN 104           H        ASN 104  -3.063   8.300  10.114
  616    HA   ASN 104           HA       ASN 104  -2.507  11.174  10.674
  617    HB2  ASN 104           2HB      ASN 104  -1.112  10.193   8.840
  618    HB3  ASN 104           3HB      ASN 104  -2.570   9.680   8.008
  619   HD21  ASN 104          2HD2      ASN 104  -3.728  12.532   8.851
  620   HD22  ASN 104          1HD2      ASN 104  -3.040  13.513   7.551
  Start of MODEL   11
    1    HA   PRO  25           HA       PRO  25   9.850  16.189   5.819
    2    HB2  PRO  25           2HB      PRO  25  10.266  16.097   2.823
    3    HB3  PRO  25           3HB      PRO  25  11.303  16.806   4.100
    4    HG2  PRO  25           2HG      PRO  25  11.416  14.125   3.066
    5    HG3  PRO  25           3HG      PRO  25  12.257  14.711   4.526
    6    HD2  PRO  25           2HD      PRO  25  10.242  12.783   4.594
    7    HD3  PRO  25           3HD      PRO  25  10.706  13.834   5.952
    8    H    ALA  26           H        ALA  26   8.026  16.307   2.684
    9    HA   ALA  26           HA       ALA  26   6.570  18.684   3.398
   10    HB1  ALA  26           1HB      ALA  26   5.984  16.427   1.443
   11    HB2  ALA  26           2HB      ALA  26   5.217  18.035   1.435
   12    HB3  ALA  26           3HB      ALA  26   6.958  17.874   1.103
   13    H    LYS  27           H        LYS  27   6.095  15.263   4.007
   14    HA   LYS  27           HA       LYS  27   4.123  15.755   6.152
   15    HB2  LYS  27           2HB      LYS  27   3.276  14.961   3.581
   16    HB3  LYS  27           3HB      LYS  27   3.348  13.457   4.452
   17    HG2  LYS  27           2HG      LYS  27   1.897  15.938   5.504
   18    HG3  LYS  27           3HG      LYS  27   1.186  14.777   4.405
   19    HD2  LYS  27           2HD      LYS  27   1.875  12.984   6.210
   20    HD3  LYS  27           3HD      LYS  27   1.930  14.385   7.304
   21    HE2  LYS  27           2HE      LYS  27  -0.406  13.314   5.674
   22    HE3  LYS  27           3HE      LYS  27  -0.219  13.266   7.421
   23    HZ1  LYS  27           3HZ      LYS  27  -0.289  15.758   7.387
   24    HZ2  LYS  27           1HZ      LYS  27  -0.648  15.715   5.774
   25    HZ3  LYS  27           2HZ      LYS  27  -1.678  15.079   6.863
   26    H    ARG  28           H        ARG  28   3.709  13.640   7.356
   27    HA   ARG  28           HA       ARG  28   5.442  11.436   6.754
   28    HE   ARG  28           HE       ARG  28   9.462   9.978   9.010
   29    HB2  ARG  28           2HB      ARG  28   6.384  13.177   8.650
   30    HB3  ARG  28           3HB      ARG  28   5.172  12.382   9.663
   31    HG2  ARG  28           2HG      ARG  28   6.961  10.939  10.003
   32    HG3  ARG  28           3HG      ARG  28   6.160  10.231   8.571
   33    HD2  ARG  28           2HD      ARG  28   7.781  11.546   7.114
   34    HD3  ARG  28           3HD      ARG  28   8.566  12.124   8.578
   35   HH11  ARG  28          1HH1      ARG  28   7.659   9.914   5.995
   36   HH12  ARG  28          2HH1      ARG  28   8.351   8.367   5.529
   37   HH21  ARG  28          1HH2      ARG  28  10.255   8.013   8.347
   38   HH22  ARG  28          2HH2      ARG  28   9.606   7.263   6.912
   39    H    TYR  29           H        TYR  29   4.115   9.723   6.650
   40    HA   TYR  29           HA       TYR  29   1.706   9.496   8.394
   41    HD1  TYR  29           HD1      TYR  29   0.772   6.975   5.378
   42    HD2  TYR  29           HD2      TYR  29   2.492  10.751   4.128
   43    HE1  TYR  29           HE1      TYR  29   1.531   5.902   3.311
   44    HE2  TYR  29           HE2      TYR  29   2.877   9.753   1.941
   45    HH   TYR  29           HH       TYR  29   2.164   6.269   1.216
   46    HB2  TYR  29           2HB      TYR  29   0.260   9.064   6.546
   47    HB3  TYR  29           3HB      TYR  29   0.998  10.563   6.129
   48    H    ARG  30           H        ARG  30   0.600   7.402   7.956
   49    HA   ARG  30           HA       ARG  30   2.062   5.290   6.628
   50    HE   ARG  30           HE       ARG  30  -0.417   2.142   9.861
   51    HB2  ARG  30           2HB      ARG  30   2.959   5.390   9.003
   52    HB3  ARG  30           3HB      ARG  30   1.375   4.965   9.552
   53    HG2  ARG  30           2HG      ARG  30   2.975   3.233   7.620
   54    HG3  ARG  30           3HG      ARG  30   3.287   3.180   9.317
   55    HD2  ARG  30           2HD      ARG  30   0.774   2.338   7.879
   56    HD3  ARG  30           3HD      ARG  30   1.909   1.344   8.787
   57   HH11  ARG  30          1HH2      ARG  30   2.787   3.071  11.033
   58   HH12  ARG  30          2HH2      ARG  30   2.060   3.868  12.405
   59   HH21  ARG  30          2HH1      ARG  30  -1.114   2.801  11.701
   60   HH22  ARG  30          1HH1      ARG  30  -0.085   3.741  12.783
   61    H    ILE  31           H        ILE  31   0.655   3.898   5.696
   62    HA   ILE  31           HA       ILE  31  -2.278   4.141   6.309
   63    HB   ILE  31           HB       ILE  31  -2.797   3.745   4.024
   64   HG12  ILE  31          2HG1      ILE  31   0.149   3.730   3.332
   65   HG13  ILE  31          3HG1      ILE  31  -0.883   2.287   3.396
   66   HG21  ILE  31          1HG2      ILE  31  -2.012   6.108   4.884
   67   HG22  ILE  31          2HG2      ILE  31  -0.721   5.887   3.710
   68   HG23  ILE  31          3HG2      ILE  31  -2.400   5.810   3.163
   69   HD11  ILE  31          3HD1      ILE  31  -1.228   4.594   1.471
   70   HD12  ILE  31          1HD1      ILE  31  -0.665   2.950   1.119
   71   HD13  ILE  31          2HD1      ILE  31  -2.340   3.207   1.653
   72    H    THR  32           H        THR  32  -3.555   2.387   5.898
   73    HA   THR  32           HA       THR  32  -2.354  -0.381   6.183
   74    HB   THR  32           HB       THR  32  -5.068   0.876   6.586
   75    HG1  THR  32           1HG      THR  32  -4.593   0.562   8.656
   76   HG21  THR  32          1HG2      THR  32  -5.823  -1.398   7.361
   77   HG22  THR  32          2HG2      THR  32  -5.598  -1.243   5.619
   78   HG23  THR  32          3HG2      THR  32  -4.363  -2.075   6.606
   79    H    MET  33           H        MET  33  -2.514  -1.801   4.713
   80    HA   MET  33           HA       MET  33  -4.419  -1.479   2.570
   81    HB2  MET  33           2HB      MET  33  -1.580  -2.418   1.892
   82    HB3  MET  33           3HB      MET  33  -2.938  -2.125   0.808
   83    HG2  MET  33           2HG      MET  33  -2.762   0.346   1.743
   84    HG3  MET  33           3HG      MET  33  -1.179  -0.203   2.244
   85    HE1  MET  33           3HE      MET  33  -1.562  -2.067  -0.968
   86    HE2  MET  33           1HE      MET  33  -0.175  -1.237  -1.708
   87    HE3  MET  33           2HE      MET  33  -0.047  -1.883  -0.051
   88    H    LYS  34           H        LYS  34  -5.700  -3.000   2.900
   89    HA   LYS  34           HA       LYS  34  -4.937  -5.739   3.860
   90    HB2  LYS  34           2HB      LYS  34  -5.004  -4.075   5.673
   91    HB3  LYS  34           3HB      LYS  34  -6.412  -3.300   4.912
   92    HG2  LYS  34           2HG      LYS  34  -6.908  -5.917   6.033
   93    HG3  LYS  34           3HG      LYS  34  -6.579  -4.515   7.098
   94    HD2  LYS  34           2HD      LYS  34  -8.582  -4.193   4.842
   95    HD3  LYS  34           3HD      LYS  34  -9.116  -4.981   6.290
   96    HE2  LYS  34           2HE      LYS  34  -8.476  -2.978   7.626
   97    HE3  LYS  34           3HE      LYS  34  -7.707  -2.268   6.207
   98    HZ1  LYS  34           3HZ      LYS  34 -10.008  -2.380   5.158
   99    HZ2  LYS  34           1HZ      LYS  34 -10.596  -2.586   6.676
  100    HZ3  LYS  34           2HZ      LYS  34  -9.741  -1.228   6.272
  101    H    ASN  35           H        ASN  35  -6.861  -7.131   3.920
  102    HA   ASN  35           HA       ASN  35  -9.306  -5.955   3.743
  103    HB2  ASN  35           2HB      ASN  35  -9.471  -5.518   1.538
  104    HB3  ASN  35           3HB      ASN  35  -8.378  -6.754   1.047
  105   HD21  ASN  35          2HD2      ASN  35  -9.455  -7.985  -0.397
  106   HD22  ASN  35          1HD2      ASN  35 -11.154  -8.458  -0.267
  107    H    LEU  36           H        LEU  36  -9.197  -9.213   2.246
  108    HA   LEU  36           HA       LEU  36  -8.989 -10.605   4.750
  109    HG   LEU  36           HG       LEU  36 -12.453 -11.594   5.708
  110    HB2  LEU  36           2HB      LEU  36 -11.238  -9.769   5.066
  111    HB3  LEU  36           3HB      LEU  36 -11.792 -10.462   3.573
  112   HD11  LEU  36          1HD1      LEU  36 -12.301 -13.853   4.953
  113   HD12  LEU  36          2HD1      LEU  36 -12.542 -12.813   3.546
  114   HD13  LEU  36          3HD1      LEU  36 -10.937 -13.503   3.896
  115   HD21  LEU  36          3HD2      LEU  36 -10.256 -11.401   6.877
  116   HD22  LEU  36          1HD2      LEU  36 -10.964 -13.026   6.924
  117   HD23  LEU  36          2HD2      LEU  36  -9.624 -12.681   5.817
  118    HA   PRO  37           HA       PRO  37  -9.453 -13.878   1.269
  119    HB2  PRO  37           2HB      PRO  37  -9.879 -13.052  -1.362
  120    HB3  PRO  37           3HB      PRO  37 -11.125 -13.563  -0.194
  121    HG2  PRO  37           2HG      PRO  37 -10.214 -10.745  -0.832
  122    HG3  PRO  37           3HG      PRO  37 -11.893 -11.383  -0.730
  123    HD2  PRO  37           2HD      PRO  37 -10.865 -10.108   1.375
  124    HD3  PRO  37           3HD      PRO  37 -11.770 -11.613   1.609
  125    H    GLU  38           H        GLU  38  -7.240 -11.677   1.777
  126    HA   GLU  38           HA       GLU  38  -5.198 -13.247   0.406
  127    HB2  GLU  38           2HB      GLU  38  -5.801 -11.229  -1.093
  128    HB3  GLU  38           3HB      GLU  38  -4.964 -10.250   0.106
  129    HG2  GLU  38           2HG      GLU  38  -2.970 -11.861  -0.163
  130    HG3  GLU  38           3HG      GLU  38  -3.870 -12.599  -1.500
  131    H    GLY  39           H        GLY  39  -3.582 -13.631   1.721
  132    HA2  GLY  39           2HA      GLY  39  -3.049 -11.931   4.110
  133    HA3  GLY  39           3HA      GLY  39  -2.448 -13.568   3.820
  134    H    CYS  40           H        CYS  40  -2.289 -10.243   2.492
  135    HA   CYS  40           HA       CYS  40  -0.291 -10.624   0.627
  136    HG   CYS  40           HG       CYS  40  -2.887  -8.724   0.282
  137    HB2  CYS  40           2HB      CYS  40  -0.133  -7.959   1.920
  138    HB3  CYS  40           3HB      CYS  40  -0.412  -8.393   0.241
  139    H    SER  41           H        SER  41   1.916  -9.742   0.507
  140    HA   SER  41           HA       SER  41   3.547  -9.632   2.996
  141    HG   SER  41           HG       SER  41   3.727 -12.088   3.217
  142    HB2  SER  41           2HB      SER  41   4.296 -11.273   0.541
  143    HB3  SER  41           3HB      SER  41   5.293 -11.006   1.983
  144    H    TRP  42           H        TRP  42   5.723  -8.489   2.533
  145    HA   TRP  42           HA       TRP  42   5.096  -6.153   1.122
  146    HD1  TRP  42           HD1      TRP  42   9.687  -5.190   1.728
  147    HE1  TRP  42           HE1      TRP  42   9.890  -2.902   0.601
  148    HE3  TRP  42           HE3      TRP  42   4.700  -4.192   0.887
  149    HZ2  TRP  42           HZ2      TRP  42   8.150  -1.016  -0.744
  150    HZ3  TRP  42           HZ3      TRP  42   4.037  -2.184  -0.355
  151    HH2  TRP  42           HH2      TRP  42   5.722  -0.592  -1.167
  152    HB2  TRP  42           2HB      TRP  42   6.758  -6.183   2.914
  153    HB3  TRP  42           3HB      TRP  42   7.885  -7.017   1.869
  154    H    GLN  43           H        GLN  43   7.019  -8.922  -0.087
  155    HA   GLN  43           HA       GLN  43   7.645  -7.540  -2.478
  156    HB2  GLN  43           2HB      GLN  43   8.529  -9.622  -3.313
  157    HB3  GLN  43           3HB      GLN  43   8.914  -9.482  -1.615
  158    HG2  GLN  43           2HG      GLN  43   8.168 -11.602  -1.445
  159    HG3  GLN  43           3HG      GLN  43   6.563 -10.897  -1.418
  160   HE21  GLN  43          1HE2      GLN  43   5.186 -12.138  -2.771
  161   HE22  GLN  43          2HE2      GLN  43   5.739 -12.850  -4.284
  162    H    ASP  44           H        ASP  44   4.732  -9.006  -1.616
  163    HA   ASP  44           HA       ASP  44   3.682  -9.337  -4.350
  164    HB2  ASP  44           2HB      ASP  44   2.549  -9.525  -1.527
  165    HB3  ASP  44           3HB      ASP  44   1.576  -9.487  -2.955
  166    H    LEU  45           H        LEU  45   3.297  -7.169  -1.531
  167    HA   LEU  45           HA       LEU  45   1.656  -5.251  -2.897
  168    HG   LEU  45           HG       LEU  45   1.135  -6.574  -0.255
  169    HB2  LEU  45           2HB      LEU  45   3.259  -5.362  -0.327
  170    HB3  LEU  45           3HB      LEU  45   2.454  -3.896  -0.820
  171   HD11  LEU  45          1HD1      LEU  45   1.860  -5.250   1.706
  172   HD12  LEU  45          2HD1      LEU  45   0.983  -3.836   1.091
  173   HD13  LEU  45          3HD1      LEU  45   0.092  -5.298   1.600
  174   HD21  LEU  45          3HD2      LEU  45  -0.235  -5.630  -1.978
  175   HD22  LEU  45          1HD2      LEU  45  -1.032  -5.196  -0.470
  176   HD23  LEU  45          2HD2      LEU  45  -0.048  -3.989  -1.344
  177    H    LYS  46           H        LYS  46   5.168  -5.568  -2.710
  178    HA   LYS  46           HA       LYS  46   5.884  -3.065  -4.103
  179    HB2  LYS  46           2HB      LYS  46   7.173  -5.694  -3.466
  180    HB3  LYS  46           3HB      LYS  46   7.738  -4.914  -4.928
  181    HG2  LYS  46           2HG      LYS  46   7.489  -3.241  -2.443
  182    HG3  LYS  46           3HG      LYS  46   8.801  -4.406  -2.501
  183    HD2  LYS  46           2HD      LYS  46   9.986  -3.285  -4.053
  184    HD3  LYS  46           3HD      LYS  46   8.596  -2.787  -4.982
  185    HE2  LYS  46           2HE      LYS  46   9.499  -1.476  -2.383
  186    HE3  LYS  46           3HE      LYS  46   9.936  -0.917  -3.994
  187    HZ1  LYS  46           3HZ      LYS  46   7.578  -0.536  -4.457
  188    HZ2  LYS  46           1HZ      LYS  46   7.160  -1.022  -2.952
  189    HZ3  LYS  46           2HZ      LYS  46   8.047   0.341  -3.186
  190    H    ASP  47           H        ASP  47   5.315  -6.372  -5.330
  191    HA   ASP  47           HA       ASP  47   5.324  -5.594  -8.056
  192    HB2  ASP  47           2HB      ASP  47   4.747  -7.976  -6.581
  193    HB3  ASP  47           3HB      ASP  47   3.322  -7.672  -7.520
  194    H    LEU  48           H        LEU  48   2.350  -5.765  -6.055
  195    HA   LEU  48           HA       LEU  48   0.906  -4.588  -8.193
  196    HG   LEU  48           HG       LEU  48  -1.301  -3.642  -7.776
  197    HB2  LEU  48           2HB      LEU  48  -0.277  -5.724  -6.449
  198    HB3  LEU  48           3HB      LEU  48   0.188  -4.526  -5.245
  199   HD11  LEU  48          1HD1      LEU  48  -3.435  -3.818  -6.402
  200   HD12  LEU  48          2HD1      LEU  48  -2.767  -5.352  -6.963
  201   HD13  LEU  48          3HD1      LEU  48  -2.538  -4.811  -5.254
  202   HD21  LEU  48          3HD2      LEU  48  -2.272  -2.027  -6.193
  203   HD22  LEU  48          1HD2      LEU  48  -1.181  -2.665  -4.933
  204   HD23  LEU  48          2HD2      LEU  48  -0.560  -1.866  -6.429
  205    H    ALA  49           H        ALA  49   2.653  -2.967  -5.474
  206    HA   ALA  49           HA       ALA  49   1.805  -0.366  -6.209
  207    HB1  ALA  49           1HB      ALA  49   3.992   0.259  -5.047
  208    HB2  ALA  49           2HB      ALA  49   2.828  -0.734  -4.127
  209    HB3  ALA  49           3HB      ALA  49   4.279  -1.486  -4.872
  210    H    ARG  50           H        ARG  50   4.183  -2.457  -7.767
  211    HA   ARG  50           HA       ARG  50   5.202  -0.258  -9.446
  212    HE   ARG  50           HE       ARG  50   9.053  -0.662  -7.570
  213    HB2  ARG  50           2HB      ARG  50   5.764  -3.137 -10.028
  214    HB3  ARG  50           3HB      ARG  50   6.713  -1.703 -10.387
  215    HG2  ARG  50           2HG      ARG  50   6.553  -3.340  -7.938
  216    HG3  ARG  50           3HG      ARG  50   7.931  -2.691  -8.650
  217    HD2  ARG  50           2HD      ARG  50   6.115  -0.866  -7.072
  218    HD3  ARG  50           3HD      ARG  50   7.288  -1.850  -6.321
  219   HH11  ARG  50          2HH1      ARG  50   5.912   0.912  -7.893
  220   HH12  ARG  50          1HH1      ARG  50   6.668   2.409  -8.432
  221   HH21  ARG  50          2HH2      ARG  50   9.872   1.316  -8.192
  222   HH22  ARG  50          1HH2      ARG  50   8.793   2.665  -8.448
  223    H    GLU  51           H        GLU  51   2.702  -2.637  -9.540
  224    HA   GLU  51           HA       GLU  51   1.753  -2.184 -12.255
  225    HB2  GLU  51           2HB      GLU  51   0.049  -2.923  -9.849
  226    HB3  GLU  51           3HB      GLU  51  -0.467  -2.905 -11.448
  227    HG2  GLU  51           2HG      GLU  51   1.908  -4.531 -10.489
  228    HG3  GLU  51           3HG      GLU  51   0.363  -5.157 -10.244
  229    H    ASN  52           H        ASN  52   1.451  -0.482  -9.293
  230    HA   ASN  52           HA       ASN  52  -0.576   1.403 -10.381
  231    HB2  ASN  52           2HB      ASN  52   0.046   0.033  -7.771
  232    HB3  ASN  52           3HB      ASN  52  -0.751   1.518  -7.698
  233   HD21  ASN  52          2HD2      ASN  52  -1.032  -1.766  -8.638
  234   HD22  ASN  52          1HD2      ASN  52  -2.770  -1.720  -8.935
  235    H    SER  53           H        SER  53   2.718   1.551  -9.614
  236    HA   SER  53           HA       SER  53   4.183   3.290  -9.802
  237    HG   SER  53           HG       SER  53   2.265   3.309 -12.024
  238    HB2  SER  53           2HB      SER  53   1.819   5.058 -10.542
  239    HB3  SER  53           3HB      SER  53   3.538   5.477 -10.671
  240    H    LEU  54           H        LEU  54   3.131   2.437  -7.435
  241    HA   LEU  54           HA       LEU  54   2.345   4.635  -5.667
  242    HG   LEU  54           HG       LEU  54   0.674   1.631  -4.396
  243    HB2  LEU  54           2HB      LEU  54   2.324   1.759  -5.750
  244    HB3  LEU  54           3HB      LEU  54   3.223   2.188  -4.326
  245   HD11  LEU  54          1HD1      LEU  54   1.975   2.086  -2.333
  246   HD12  LEU  54          2HD1      LEU  54   1.744   3.832  -2.584
  247   HD13  LEU  54          3HD1      LEU  54   0.360   2.767  -2.248
  248   HD21  LEU  54          3HD2      LEU  54   0.434   4.645  -4.578
  249   HD22  LEU  54          1HD2      LEU  54   0.064   3.519  -5.916
  250   HD23  LEU  54          2HD2      LEU  54  -0.847   3.435  -4.404
  251    H    GLU  55           H        GLU  55   5.314   3.119  -6.546
  252    HA   GLU  55           HA       GLU  55   7.444   2.984  -5.852
  253    HB2  GLU  55           2HB      GLU  55   6.959   5.778  -4.893
  254    HB3  GLU  55           3HB      GLU  55   8.512   5.091  -5.397
  255    HG2  GLU  55           2HG      GLU  55   6.085   5.939  -7.001
  256    HG3  GLU  55           3HG      GLU  55   7.701   6.622  -6.978
  257    H    THR  56           H        THR  56   6.128   4.911  -3.518
  258    HA   THR  56           HA       THR  56   6.460   5.499  -1.488
  259    HB   THR  56           HB       THR  56   5.630   3.977   0.193
  260    HG1  THR  56           1HG      THR  56   6.519   1.988  -1.615
  261   HG21  THR  56          1HG2      THR  56   4.438   2.855  -2.356
  262   HG22  THR  56          2HG2      THR  56   3.658   3.060  -0.780
  263   HG23  THR  56          3HG2      THR  56   4.046   4.467  -1.730
  264    H    THR  57           H        THR  57   7.505   4.734   0.906
  265    HA   THR  57           HA       THR  57  10.435   4.453   0.497
  266    HB   THR  57           HB       THR  57   8.907   4.396   3.136
  267    HG1  THR  57           1HG      THR  57   8.926   6.510   3.203
  268   HG21  THR  57          1HG2      THR  57  10.970   5.341   4.068
  269   HG22  THR  57          2HG2      THR  57  11.255   3.766   3.319
  270   HG23  THR  57          3HG2      THR  57  11.750   5.249   2.465
  271    H    PHE  58           H        PHE  58   7.729   2.811   2.149
  272    HA   PHE  58           HA       PHE  58   8.772   0.133   1.941
  273    HD1  PHE  58           HD1      PHE  58   8.835   3.232   5.202
  274    HD2  PHE  58           HD2      PHE  58   8.811  -1.050   5.708
  275    HE1  PHE  58           HE1      PHE  58   7.968   3.493   7.523
  276    HE2  PHE  58           HE2      PHE  58   7.936  -0.783   8.008
  277    HZ   PHE  58           HZ       PHE  58   7.501   1.494   8.920
  278    HB2  PHE  58           2HB      PHE  58   9.843  -0.074   3.843
  279    HB3  PHE  58           3HB      PHE  58  10.225   1.597   3.736
  280    H    SER  59           H        SER  59   7.596  -1.366   3.440
  281    HA   SER  59           HA       SER  59   5.133  -0.297   4.687
  282    HG   SER  59           HG       SER  59   3.845  -3.277   4.359
  283    HB2  SER  59           2HB      SER  59   4.326  -1.183   2.598
  284    HB3  SER  59           3HB      SER  59   5.220  -2.650   2.808
  285    H    SER  60           H        SER  60   4.544  -1.317   6.489
  286    HA   SER  60           HA       SER  60   6.171  -3.511   7.692
  287    HG   SER  60           HG       SER  60   5.616  -0.793   8.862
  288    HB2  SER  60           2HB      SER  60   3.722  -1.946   8.598
  289    HB3  SER  60           3HB      SER  60   4.431  -3.300   9.511
  290    H    VAL  61           H        VAL  61   5.769  -5.439   6.626
  291    HA   VAL  61           HA       VAL  61   2.959  -6.424   6.631
  292    HB   VAL  61           HB       VAL  61   4.760  -7.492   4.483
  293   HG11  VAL  61          1HG1      VAL  61   2.508  -8.450   4.776
  294   HG12  VAL  61          2HG1      VAL  61   1.785  -6.838   4.688
  295   HG13  VAL  61          3HG1      VAL  61   2.537  -7.536   3.262
  296   HG21  VAL  61          3HG2      VAL  61   5.051  -5.099   4.022
  297   HG22  VAL  61          1HG2      VAL  61   3.939  -5.805   2.840
  298   HG23  VAL  61          2HG2      VAL  61   3.289  -4.878   4.159
  299    H    ASN  62           H        ASN  62   2.834  -8.801   6.600
  300    HA   ASN  62           HA       ASN  62   3.205 -10.821   7.492
  301    HB2  ASN  62           2HB      ASN  62   6.164 -10.190   7.373
  302    HB3  ASN  62           3HB      ASN  62   5.435 -11.791   7.470
  303   HD21  ASN  62          1HD2      ASN  62   7.006  -9.867   5.382
  304   HD22  ASN  62          2HD2      ASN  62   6.314 -10.505   3.902
  305    H    THR  63           H        THR  63   3.238  -8.262   9.259
  306    HA   THR  63           HA       THR  63   4.308  -9.085  11.827
  307    HB   THR  63           HB       THR  63   2.699  -7.068  12.508
  308    HG1  THR  63           1HG      THR  63   1.600  -6.866  10.527
  309   HG21  THR  63          1HG2      THR  63   4.456  -5.495  11.828
  310   HG22  THR  63          2HG2      THR  63   5.144  -6.975  12.505
  311   HG23  THR  63          3HG2      THR  63   5.160  -6.723  10.745
  312    H    ARG  64           H        ARG  64   2.809 -11.124  10.760
  313    HA   ARG  64           HA       ARG  64   1.215 -12.644  10.903
  314    HE   ARG  64           HE       ARG  64   0.507 -14.496  10.617
  315    HB2  ARG  64           2HB      ARG  64   1.946 -12.255  13.471
  316    HB3  ARG  64           3HB      ARG  64   0.243 -11.866  13.620
  317    HG2  ARG  64           2HG      ARG  64   1.539 -14.490  12.788
  318    HG3  ARG  64           3HG      ARG  64   0.577 -14.142  14.206
  319    HD2  ARG  64           2HD      ARG  64  -0.893 -15.382  12.985
  320    HD3  ARG  64           3HD      ARG  64  -1.397 -13.752  12.521
  321   HH11  ARG  64          1HH1      ARG  64  -2.538 -16.014  11.575
  322   HH12  ARG  64          2HH1      ARG  64  -2.851 -16.484   9.912
  323   HH21  ARG  64          2HH2      ARG  64  -0.097 -15.113   8.560
  324   HH22  ARG  64          1HH2      ARG  64  -1.596 -15.993   8.364
  325    H    ASP  65           H        ASP  65  -0.162  -9.652  12.228
  326    HA   ASP  65           HA       ASP  65  -2.138  -8.546  11.846
  327    HB2  ASP  65           2HB      ASP  65  -1.977  -9.763   9.077
  328    HB3  ASP  65           3HB      ASP  65  -2.699  -8.230   9.531
  329    H    PHE  66           H        PHE  66  -4.404  -9.215  10.097
  330    HA   PHE  66           HA       PHE  66  -5.823 -11.212  11.658
  331    HD1  PHE  66           HD2      PHE  66  -7.450 -12.438   8.313
  332    HD2  PHE  66           HD1      PHE  66  -5.968  -8.399   8.152
  333    HE1  PHE  66           HE2      PHE  66  -7.253 -12.612   5.846
  334    HE2  PHE  66           HE1      PHE  66  -5.753  -8.598   5.662
  335    HZ   PHE  66           HZ       PHE  66  -6.460 -10.663   4.527
  336    HB2  PHE  66           2HB      PHE  66  -7.625 -10.839  10.267
  337    HB3  PHE  66           3HB      PHE  66  -6.792  -9.291  10.232
  338    H    ASP  67           H        ASP  67  -3.975 -11.205   8.699
  339    HA   ASP  67           HA       ASP  67  -2.978 -13.827   8.986
  340    HB2  ASP  67           2HB      ASP  67  -5.250 -14.386   7.931
  341    HB3  ASP  67           3HB      ASP  67  -4.710 -13.503   6.504
  342    H    GLY  68           H        GLY  68  -3.524 -10.990   6.909
  343    HA2  GLY  68           2HA      GLY  68  -0.730 -10.396   6.831
  344    HA3  GLY  68           3HA      GLY  68  -1.236 -11.051   5.278
  345    H    THR  69           H        THR  69  -0.857  -8.235   6.978
  346    HA   THR  69           HA       THR  69  -2.409  -6.690   4.925
  347    HB   THR  69           HB       THR  69  -2.983  -4.962   6.540
  348    HG1  THR  69           1HG      THR  69  -1.323  -5.561   8.118
  349   HG21  THR  69          1HG2      THR  69  -4.625  -6.726   6.109
  350   HG22  THR  69          2HG2      THR  69  -3.964  -7.675   7.462
  351   HG23  THR  69          3HG2      THR  69  -4.747  -6.111   7.780
  352    H    GLY  70           H        GLY  70  -1.303  -5.109   4.001
  353    HA2  GLY  70           2HA      GLY  70   1.452  -4.544   4.907
  354    HA3  GLY  70           3HA      GLY  70   0.665  -3.887   3.463
  355    H    ALA  71           H        ALA  71   2.127  -2.535   5.592
  356    HA   ALA  71           HA       ALA  71   0.113  -0.449   5.747
  357    HB1  ALA  71           1HB      ALA  71   0.186  -1.728   7.964
  358    HB2  ALA  71           2HB      ALA  71   1.780  -0.989   8.219
  359    HB3  ALA  71           3HB      ALA  71   0.321   0.021   8.035
  360    H    LEU  72           H        LEU  72   0.918   0.911   4.370
  361    HA   LEU  72           HA       LEU  72   3.769   1.006   3.643
  362    HG   LEU  72           HG       LEU  72   1.913   1.192   0.423
  363    HB2  LEU  72           2HB      LEU  72   1.209   1.982   2.529
  364    HB3  LEU  72           3HB      LEU  72   2.596   2.811   2.038
  365   HD11  LEU  72          1HD1      LEU  72   4.593   0.293   1.440
  366   HD12  LEU  72          2HD1      LEU  72   3.991   0.510  -0.201
  367   HD13  LEU  72          3HD1      LEU  72   4.303   1.883   0.869
  368   HD21  LEU  72          3HD2      LEU  72   2.262  -1.258   0.794
  369   HD22  LEU  72          1HD2      LEU  72   2.268  -0.904   2.538
  370   HD23  LEU  72          2HD2      LEU  72   0.863  -0.526   1.592
  371    H    GLU  73           H        GLU  73   4.894   2.912   3.365
  372    HA   GLU  73           HA       GLU  73   3.966   5.413   4.835
  373    HB2  GLU  73           2HB      GLU  73   5.322   4.033   6.299
  374    HB3  GLU  73           3HB      GLU  73   6.611   3.962   5.103
  375    HG2  GLU  73           2HG      GLU  73   5.838   6.725   5.899
  376    HG3  GLU  73           3HG      GLU  73   6.428   5.730   7.218
  377    H    PHE  74           H        PHE  74   4.793   7.450   4.124
  378    HA   PHE  74           HA       PHE  74   7.076   7.529   2.351
  379    HD1  PHE  74           HD2      PHE  74   7.364   6.743   0.152
  380    HD2  PHE  74           HD1      PHE  74   5.658  10.653  -0.156
  381    HE1  PHE  74           HE2      PHE  74   9.094   7.345  -1.544
  382    HE2  PHE  74           HE1      PHE  74   7.413  11.307  -1.772
  383    HZ   PHE  74           HZ       PHE  74   9.126   9.649  -2.485
  384    HB2  PHE  74           2HB      PHE  74   4.756   7.425   0.912
  385    HB3  PHE  74           3HB      PHE  74   4.745   9.099   1.337
  386    HA   PRO  75           HA       PRO  75   7.918  11.692   4.026
  387    HB2  PRO  75           2HB      PRO  75   8.748  11.944   1.103
  388    HB3  PRO  75           3HB      PRO  75   9.520  12.717   2.509
  389    HG2  PRO  75           2HG      PRO  75  10.542  10.425   1.603
  390    HG3  PRO  75           3HG      PRO  75  10.235  10.566   3.365
  391    HD2  PRO  75           2HD      PRO  75   8.619   9.175   1.266
  392    HD3  PRO  75           3HD      PRO  75   8.957   8.675   2.941
  393    H    SER  76           H        SER  76   5.465  11.311   1.561
  394    HA   SER  76           HA       SER  76   4.476  14.088   2.028
  395    HG   SER  76           HG       SER  76   6.170  14.725  -1.030
  396    HB2  SER  76           2HB      SER  76   4.746  12.792  -0.670
  397    HB3  SER  76           3HB      SER  76   4.108  14.373  -0.392
  398    H    GLU  77           H        GLU  77   2.237  14.008   2.332
  399    HA   GLU  77           HA       GLU  77   0.846  11.568   2.090
  400    HB2  GLU  77           2HB      GLU  77  -1.208  12.703   2.541
  401    HB3  GLU  77           3HB      GLU  77   0.079  13.185   3.622
  402    HG2  GLU  77           2HG      GLU  77   0.396  15.236   2.109
  403    HG3  GLU  77           3HG      GLU  77  -1.098  14.757   1.292
  404    H    GLU  78           H        GLU  78   1.682  13.635  -0.456
  405    HA   GLU  78           HA       GLU  78  -0.194  13.116  -2.581
  406    HB2  GLU  78           2HB      GLU  78   2.853  12.825  -2.547
  407    HB3  GLU  78           3HB      GLU  78   1.836  12.988  -3.977
  408    HG2  GLU  78           2HG      GLU  78   1.236  15.285  -3.318
  409    HG3  GLU  78           3HG      GLU  78   2.162  15.125  -1.821
  410    H    ILE  79           H        ILE  79   2.404  10.895  -1.488
  411    HA   ILE  79           HA       ILE  79   1.414   8.867  -3.245
  412    HB   ILE  79           HB       ILE  79   3.267   8.678  -0.825
  413   HG12  ILE  79          2HG1      ILE  79   3.561   9.804  -3.526
  414   HG13  ILE  79          3HG1      ILE  79   4.421  10.147  -2.086
  415   HG21  ILE  79          1HG2      ILE  79   2.472   6.456  -1.433
  416   HG22  ILE  79          2HG2      ILE  79   2.884   6.746  -3.139
  417   HG23  ILE  79          3HG2      ILE  79   4.156   6.645  -1.886
  418   HD11  ILE  79          3HD1      ILE  79   4.958   7.946  -4.116
  419   HD12  ILE  79          1HD1      ILE  79   5.938   9.384  -3.743
  420   HD13  ILE  79          2HD1      ILE  79   5.820   8.065  -2.562
  421    H    LEU  80           H        LEU  80   0.786   9.537   0.118
  422    HA   LEU  80           HA       LEU  80  -0.631   7.199   0.776
  423    HG   LEU  80           HG       LEU  80  -2.402  10.289   2.158
  424    HB2  LEU  80           2HB      LEU  80  -0.202   8.248   2.668
  425    HB3  LEU  80           3HB      LEU  80  -0.030   9.778   1.915
  426   HD11  LEU  80          1HD1      LEU  80  -3.924   8.992   3.325
  427   HD12  LEU  80          2HD1      LEU  80  -3.123   7.753   2.329
  428   HD13  LEU  80          3HD1      LEU  80  -2.672   7.962   4.035
  429   HD21  LEU  80          3HD2      LEU  80  -1.076   9.285   4.695
  430   HD22  LEU  80          1HD2      LEU  80  -0.771  10.866   3.955
  431   HD23  LEU  80          2HD2      LEU  80  -2.376  10.456   4.611
  432    H    VAL  81           H        VAL  81  -1.951  10.427  -0.160
  433    HA   VAL  81           HA       VAL  81  -4.722   9.755  -0.343
  434    HB   VAL  81           HB       VAL  81  -3.019  11.883  -1.722
  435   HG11  VAL  81          1HG1      VAL  81  -6.059  11.747  -1.469
  436   HG12  VAL  81          2HG1      VAL  81  -5.145  13.183  -1.988
  437   HG13  VAL  81          3HG1      VAL  81  -5.114  11.729  -2.979
  438   HG21  VAL  81          3HG2      VAL  81  -3.796  13.417  -0.025
  439   HG22  VAL  81          1HG2      VAL  81  -4.864  12.180   0.686
  440   HG23  VAL  81          2HG2      VAL  81  -3.103  12.031   0.792
  441    H    GLU  82           H        GLU  82  -2.128   9.737  -2.790
  442    HA   GLU  82           HA       GLU  82  -3.567   9.206  -5.127
  443    HB2  GLU  82           2HB      GLU  82  -1.458  10.202  -4.705
  444    HB3  GLU  82           3HB      GLU  82  -0.819   8.726  -3.958
  445    HG2  GLU  82           2HG      GLU  82   0.194   9.510  -5.873
  446    HG3  GLU  82           3HG      GLU  82  -0.432   7.803  -5.963
  447    H    ALA  83           H        ALA  83  -1.762   6.869  -2.975
  448    HA   ALA  83           HA       ALA  83  -2.893   4.410  -3.960
  449    HB1  ALA  83           1HB      ALA  83  -0.950   4.745  -2.398
  450    HB2  ALA  83           2HB      ALA  83  -2.098   5.107  -1.107
  451    HB3  ALA  83           3HB      ALA  83  -2.124   3.509  -1.881
  452    H    LEU  84           H        LEU  84  -4.260   6.705  -1.603
  453    HA   LEU  84           HA       LEU  84  -6.524   5.028  -0.795
  454    HG   LEU  84           HG       LEU  84  -4.858   7.779   0.918
  455    HB2  LEU  84           2HB      LEU  84  -6.463   8.058  -0.643
  456    HB3  LEU  84           3HB      LEU  84  -7.580   6.982   0.092
  457   HD11  LEU  84          1HD1      LEU  84  -7.385   7.036   2.399
  458   HD12  LEU  84          2HD1      LEU  84  -5.912   7.756   3.095
  459   HD13  LEU  84          3HD1      LEU  84  -6.870   8.673   1.917
  460   HD21  LEU  84          3HD2      LEU  84  -4.705   5.788   2.440
  461   HD22  LEU  84          1HD2      LEU  84  -6.025   5.047   1.439
  462   HD23  LEU  84          2HD2      LEU  84  -4.450   5.411   0.722
  463    H    GLU  85           H        GLU  85  -5.934   7.128  -3.511
  464    HA   GLU  85           HA       GLU  85  -8.695   6.650  -4.385
  465    HB2  GLU  85           2HB      GLU  85  -6.440   8.357  -5.523
  466    HB3  GLU  85           3HB      GLU  85  -8.043   8.220  -6.268
  467    HG2  GLU  85           2HG      GLU  85  -9.100   9.254  -4.356
  468    HG3  GLU  85           3HG      GLU  85  -7.577   9.309  -3.470
  469    H    ARG  86           H        ARG  86  -5.618   5.129  -4.828
  470    HA   ARG  86           HA       ARG  86  -6.198   4.213  -7.612
  471    HE   ARG  86           HE       ARG  86  -3.359   8.044  -8.468
  472    HB2  ARG  86           2HB      ARG  86  -3.789   5.004  -6.016
  473    HB3  ARG  86           3HB      ARG  86  -3.526   3.673  -6.901
  474    HG2  ARG  86           2HG      ARG  86  -2.850   5.766  -8.054
  475    HG3  ARG  86           3HG      ARG  86  -3.983   4.827  -9.021
  476    HD2  ARG  86           2HD      ARG  86  -5.686   6.321  -8.890
  477    HD3  ARG  86           3HD      ARG  86  -5.353   6.678  -7.195
  478   HH11  ARG  86          1HH1      ARG  86  -6.884   8.148  -8.569
  479   HH12  ARG  86          2HH1      ARG  86  -6.909   9.757  -7.867
  480   HH21  ARG  86          2HH2      ARG  86  -3.562  10.245  -7.891
  481   HH22  ARG  86          1HH2      ARG  86  -5.177  10.922  -7.733
  482    H    LEU  87           H        LEU  87  -5.624   3.045  -4.341
  483    HA   LEU  87           HA       LEU  87  -5.902   0.258  -5.216
  484    HG   LEU  87           HG       LEU  87  -3.553  -0.272  -5.286
  485    HB2  LEU  87           2HB      LEU  87  -4.171   1.616  -3.120
  486    HB3  LEU  87           3HB      LEU  87  -4.566  -0.044  -3.056
  487   HD11  LEU  87          1HD1      LEU  87  -3.434   1.484  -6.445
  488   HD12  LEU  87          2HD1      LEU  87  -3.008   2.557  -5.058
  489   HD13  LEU  87          3HD1      LEU  87  -1.785   1.512  -5.805
  490   HD21  LEU  87          3HD2      LEU  87  -2.295  -0.843  -3.217
  491   HD22  LEU  87          1HD2      LEU  87  -1.211  -0.225  -4.476
  492   HD23  LEU  87          2HD2      LEU  87  -1.712   0.837  -3.140
  493    H    ASN  88           H        ASN  88  -7.742   2.616  -3.718
  494    HA   ASN  88           HA       ASN  88  -8.652   1.086  -1.425
  495    HB2  ASN  88           2HB      ASN  88  -8.772   3.487  -1.421
  496    HB3  ASN  88           3HB      ASN  88  -9.885   3.482  -2.801
  497   HD21  ASN  88          2HD2      ASN  88  -9.504   2.704   0.644
  498   HD22  ASN  88          1HD2      ASN  88 -11.219   2.590   0.956
  499    H    ASN  89           H        ASN  89  -9.255  -0.893  -1.906
  500    HA   ASN  89           HA       ASN  89 -10.695  -2.562  -2.212
  501    HB2  ASN  89           2HB      ASN  89 -12.201  -0.992  -1.091
  502    HB3  ASN  89           3HB      ASN  89 -12.824  -0.453  -2.635
  503   HD21  ASN  89          1HD2      ASN  89 -12.423  -3.203  -0.397
  504   HD22  ASN  89          2HD2      ASN  89 -13.810  -4.114  -0.993
  505    H    ILE  90           H        ILE  90  -8.962  -2.290  -3.990
  506    HA   ILE  90           HA       ILE  90 -10.120  -2.457  -6.752
  507    HB   ILE  90           HB       ILE  90  -7.826  -2.115  -7.585
  508   HG12  ILE  90          2HG1      ILE  90  -6.718  -1.679  -4.848
  509   HG13  ILE  90          3HG1      ILE  90  -6.693  -3.268  -5.537
  510   HG21  ILE  90          1HG2      ILE  90  -9.334  -0.232  -7.101
  511   HG22  ILE  90          2HG2      ILE  90  -8.504   0.006  -5.553
  512   HG23  ILE  90          3HG2      ILE  90  -7.621   0.165  -7.096
  513   HD11  ILE  90          3HD1      ILE  90  -5.487  -0.941  -7.017
  514   HD12  ILE  90          1HD1      ILE  90  -4.632  -2.075  -5.950
  515   HD13  ILE  90          2HD1      ILE  90  -5.424  -2.677  -7.414
  516    H    GLU  91           H        GLU  91  -9.586  -4.267  -8.034
  517    HA   GLU  91           HA       GLU  91  -8.947  -6.701  -6.496
  518    HB2  GLU  91           2HB      GLU  91 -10.867  -6.530  -8.139
  519    HB3  GLU  91           3HB      GLU  91  -9.594  -6.544  -9.356
  520    HG2  GLU  91           2HG      GLU  91  -8.774  -8.715  -8.326
  521    HG3  GLU  91           3HG      GLU  91 -10.253  -8.727  -7.374
  522    H    PHE  92           H        PHE  92  -6.986  -6.998  -6.083
  523    HA   PHE  92           HA       PHE  92  -4.616  -6.319  -7.633
  524    HD1  PHE  92           HD1      PHE  92  -2.543  -7.897  -7.570
  525    HD2  PHE  92           HD2      PHE  92  -3.196  -7.280  -3.341
  526    HE1  PHE  92           HE1      PHE  92  -0.213  -8.516  -7.121
  527    HE2  PHE  92           HE2      PHE  92  -0.830  -7.868  -2.914
  528    HZ   PHE  92           HZ       PHE  92   0.656  -8.503  -4.812
  529    HB2  PHE  92           2HB      PHE  92  -4.828  -6.351  -5.137
  530    HB3  PHE  92           3HB      PHE  92  -5.104  -7.963  -5.136
  531    H    ARG  93           H        ARG  93  -5.333  -7.425  -9.586
  532    HA   ARG  93           HA       ARG  93  -5.156  -9.003 -11.184
  533    HE   ARG  93           HE       ARG  93  -0.143  -7.869 -11.376
  534    HB2  ARG  93           2HB      ARG  93  -3.261 -10.381  -9.251
  535    HB3  ARG  93           3HB      ARG  93  -3.398 -10.732 -10.967
  536    HG2  ARG  93           2HG      ARG  93  -2.523  -8.576 -11.595
  537    HG3  ARG  93           3HG      ARG  93  -2.543  -8.002  -9.910
  538    HD2  ARG  93           2HD      ARG  93  -0.966  -9.731  -9.238
  539    HD3  ARG  93           3HD      ARG  93  -0.975 -10.433 -10.866
  540   HH11  ARG  93          2HH1      ARG  93   1.133 -10.309  -9.122
  541   HH12  ARG  93          1HH1      ARG  93   2.756  -9.642  -9.348
  542   HH21  ARG  93          1HH2      ARG  93   1.892  -7.285 -11.580
  543   HH22  ARG  93          2HH2      ARG  93   3.173  -8.090 -10.615
  544    H    GLY  94           H        GLY  94  -6.447 -10.015  -8.261
  545    HA2  GLY  94           2HA      GLY  94  -8.269 -11.999  -9.001
  546    HA3  GLY  94           3HA      GLY  94  -6.750 -12.829  -8.621
  547    H    SER  95           H        SER  95  -6.085 -10.556  -6.478
  548    HA   SER  95           HA       SER  95  -7.893 -11.476  -4.324
  549    HG   SER  95           HG       SER  95  -4.305 -11.792  -3.713
  550    HB2  SER  95           2HB      SER  95  -5.238  -9.940  -4.309
  551    HB3  SER  95           3HB      SER  95  -6.168 -10.440  -2.919
  552    H    VAL  96           H        VAL  96  -7.932  -9.266  -2.864
  553    HA   VAL  96           HA       VAL  96  -8.009  -6.857  -4.500
  554    HB   VAL  96           HB       VAL  96 -10.132  -6.615  -4.840
  555   HG11  VAL  96          1HG1      VAL  96 -10.580  -8.869  -4.785
  556   HG12  VAL  96          2HG1      VAL  96 -10.795  -8.863  -3.004
  557   HG13  VAL  96          3HG1      VAL  96 -11.930  -7.986  -4.074
  558   HG21  VAL  96          3HG2      VAL  96 -10.621  -6.351  -1.883
  559   HG22  VAL  96          1HG2      VAL  96 -10.123  -5.062  -3.003
  560   HG23  VAL  96          2HG2      VAL  96 -11.684  -5.839  -3.208
  561    H    ILE  97           H        ILE  97  -7.691  -4.995  -3.219
  562    HA   ILE  97           HA       ILE  97  -7.236  -5.335  -0.285
  563    HB   ILE  97           HB       ILE  97  -5.412  -3.503  -0.663
  564   HG12  ILE  97          2HG1      ILE  97  -5.207  -4.971  -3.296
  565   HG13  ILE  97          3HG1      ILE  97  -5.804  -3.312  -3.113
  566   HG21  ILE  97          1HG2      ILE  97  -5.057  -5.739   0.341
  567   HG22  ILE  97          2HG2      ILE  97  -4.702  -6.391  -1.275
  568   HG23  ILE  97          3HG2      ILE  97  -3.668  -5.122  -0.525
  569   HD11  ILE  97          3HD1      ILE  97  -3.536  -3.150  -3.832
  570   HD12  ILE  97          1HD1      ILE  97  -3.570  -2.680  -2.117
  571   HD13  ILE  97          2HD1      ILE  97  -2.975  -4.295  -2.598
  572    H    THR  98           H        THR  98  -7.593  -3.593   0.914
  573    HA   THR  98           HA       THR  98  -8.990  -1.211  -0.200
  574    HB   THR  98           HB       THR  98  -9.519  -2.640   2.405
  575    HG1  THR  98           1HG      THR  98 -10.324  -3.820   0.647
  576   HG21  THR  98          1HG2      THR  98 -11.544  -1.239   2.484
  577   HG22  THR  98          2HG2      THR  98 -10.066  -0.260   2.540
  578   HG23  THR  98          3HG2      THR  98 -11.003  -0.377   1.023
  579    H    VAL  99           H        VAL  99  -8.219   0.703   0.578
  580    HA   VAL  99           HA       VAL  99  -5.976   0.545   2.501
  581    HB   VAL  99           HB       VAL  99  -4.470   1.732   1.126
  582   HG11  VAL  99          1HG1      VAL  99  -4.071   0.166  -0.646
  583   HG12  VAL  99          2HG1      VAL  99  -4.760  -0.737   0.706
  584   HG13  VAL  99          3HG1      VAL  99  -5.765  -0.351  -0.679
  585   HG21  VAL  99          3HG2      VAL  99  -5.086   2.266  -1.229
  586   HG22  VAL  99          1HG2      VAL  99  -6.779   1.915  -0.790
  587   HG23  VAL  99          2HG2      VAL  99  -5.898   3.245  -0.015
  588    H    GLU 100           H        GLU 100  -5.472   2.296   3.638
  589    HA   GLU 100           HA       GLU 100  -6.981   4.824   3.424
  590    HB2  GLU 100           2HB      GLU 100  -8.356   4.492   5.453
  591    HB3  GLU 100           3HB      GLU 100  -8.763   3.312   4.221
  592    HG2  GLU 100           2HG      GLU 100  -7.020   1.770   5.549
  593    HG3  GLU 100           3HG      GLU 100  -7.355   2.897   6.857
  594    H    ARG 101           H        ARG 101  -6.428   6.434   4.949
  595    HA   ARG 101           HA       ARG 101  -3.753   6.254   5.939
  596    HE   ARG 101           HE       ARG 101  -3.739  10.786   6.726
  597    HB2  ARG 101           2HB      ARG 101  -3.791   8.433   6.132
  598    HB3  ARG 101           3HB      ARG 101  -5.218   8.325   5.176
  599    HG2  ARG 101           2HG      ARG 101  -6.552   8.420   7.374
  600    HG3  ARG 101           3HG      ARG 101  -5.023   8.889   8.133
  601    HD2  ARG 101           2HD      ARG 101  -6.543  10.330   5.925
  602    HD3  ARG 101           3HD      ARG 101  -6.301  10.886   7.579
  603   HH11  ARG 101          1HH2      ARG 101  -6.477  12.108   4.929
  604   HH12  ARG 101          2HH2      ARG 101  -5.467  13.322   4.188
  605   HH21  ARG 101          1HH1      ARG 101  -2.670  12.416   5.944
  606   HH22  ARG 101          2HH1      ARG 101  -3.302  13.481   4.664
  607    H    ASP 102           H        ASP 102  -2.854   5.771   7.805
  608    HA   ASP 102           HA       ASP 102  -4.652   4.687   9.930
  609    HB2  ASP 102           2HB      ASP 102  -3.663   3.103   8.234
  610    HB3  ASP 102           3HB      ASP 102  -2.061   3.502   8.883
  611    H    ASP 103           H        ASP 103  -1.972   6.790   9.503
  612    HA   ASP 103           HA       ASP 103  -1.793   7.053  12.490
  613    HB2  ASP 103           2HB      ASP 103   0.456   6.744  10.534
  614    HB3  ASP 103           3HB      ASP 103   0.631   8.048  11.679
  615    H    ASN 104           H        ASN 104  -1.466   8.653   9.309
  616    HA   ASN 104           HA       ASN 104  -2.865  10.959  10.056
  617    HB2  ASN 104           2HB      ASN 104  -0.387  11.324  11.074
  618    HB3  ASN 104           3HB      ASN 104  -0.009  11.739   9.406
  619   HD21  ASN 104          1HD2      ASN 104  -2.465  13.033   8.724
  620   HD22  ASN 104          2HD2      ASN 104  -2.616  14.496   9.731
  Start of MODEL   12
    1    HA   PRO  25           HA       PRO  25  10.418  14.729   8.067
    2    HB2  PRO  25           2HB      PRO  25  10.237  14.214   5.068
    3    HB3  PRO  25           3HB      PRO  25  11.608  14.902   5.995
    4    HG2  PRO  25           2HG      PRO  25  11.247  12.172   5.406
    5    HG3  PRO  25           3HG      PRO  25  12.217  12.775   6.777
    6    HD2  PRO  25           2HD      PRO  25   9.792  11.265   6.969
    7    HD3  PRO  25           3HD      PRO  25  10.695  12.060   8.278
    8    H    ALA  26           H        ALA  26   9.325  15.969   5.043
    9    HA   ALA  26           HA       ALA  26   7.848  18.180   5.975
   10    HB1  ALA  26           1HB      ALA  26   7.048  18.282   3.635
   11    HB2  ALA  26           2HB      ALA  26   8.784  17.897   3.696
   12    HB3  ALA  26           3HB      ALA  26   7.592  16.613   3.362
   13    H    LYS  27           H        LYS  27   6.778  14.996   4.995
   14    HA   LYS  27           HA       LYS  27   4.490  14.995   6.871
   15    HB2  LYS  27           2HB      LYS  27   4.188  14.793   3.938
   16    HB3  LYS  27           3HB      LYS  27   3.884  13.253   4.648
   17    HG2  LYS  27           2HG      LYS  27   2.493  15.811   5.528
   18    HG3  LYS  27           3HG      LYS  27   1.876  14.604   4.398
   19    HD2  LYS  27           2HD      LYS  27   2.259  12.898   6.359
   20    HD3  LYS  27           3HD      LYS  27   2.290  14.335   7.390
   21    HE2  LYS  27           2HE      LYS  27   0.044  13.364   5.600
   22    HE3  LYS  27           3HE      LYS  27   0.094  13.263   7.348
   23    HZ1  LYS  27           3HZ      LYS  27  -1.245  15.141   6.553
   24    HZ2  LYS  27           1HZ      LYS  27   0.028  15.721   7.416
   25    HZ3  LYS  27           2HZ      LYS  27   0.010  15.800   5.761
   26    H    ARG  28           H        ARG  28   4.042  12.805   7.493
   27    HA   ARG  28           HA       ARG  28   5.371  10.623   6.240
   28    HE   ARG  28           HE       ARG  28   6.666   7.827   9.581
   29    HB2  ARG  28           2HB      ARG  28   6.486   9.590   7.941
   30    HB3  ARG  28           3HB      ARG  28   7.210  11.154   7.770
   31    HG2  ARG  28           2HG      ARG  28   6.611  11.880   9.858
   32    HG3  ARG  28           3HG      ARG  28   5.078  11.023   9.888
   33    HD2  ARG  28           2HD      ARG  28   7.817   9.779  10.101
   34    HD3  ARG  28           3HD      ARG  28   6.721  10.058  11.476
   35   HH11  ARG  28          1HH1      ARG  28   4.314   9.737  11.442
   36   HH12  ARG  28          2HH1      ARG  28   3.080   8.516  11.107
   37   HH21  ARG  28          2HH2      ARG  28   4.986   6.348   9.433
   38   HH22  ARG  28          1HH2      ARG  28   3.423   6.823  10.138
   39    H    TYR  29           H        TYR  29   4.142   8.862   6.419
   40    HA   TYR  29           HA       TYR  29   1.767   8.876   8.195
   41    HD1  TYR  29           HD2      TYR  29   0.845   6.634   5.025
   42    HD2  TYR  29           HD1      TYR  29   2.460  10.550   4.054
   43    HE1  TYR  29           HE2      TYR  29   1.481   5.799   2.804
   44    HE2  TYR  29           HE1      TYR  29   2.874   9.770   1.804
   45    HH   TYR  29           HH       TYR  29   2.146   6.351   0.757
   46    HB2  TYR  29           2HB      TYR  29   0.237   8.701   6.319
   47    HB3  TYR  29           3HB      TYR  29   1.143  10.173   6.128
   48    H    ARG  30           H        ARG  30   0.633   6.815   7.991
   49    HA   ARG  30           HA       ARG  30   2.075   4.625   6.560
   50    HE   ARG  30           HE       ARG  30   4.038   3.420   8.493
   51    HB2  ARG  30           2HB      ARG  30   2.565   4.538   9.003
   52    HB3  ARG  30           3HB      ARG  30   0.856   4.599   9.298
   53    HG2  ARG  30           2HG      ARG  30   1.575   2.378   9.705
   54    HG3  ARG  30           3HG      ARG  30   0.557   2.347   8.274
   55    HD2  ARG  30           2HD      ARG  30   2.582   0.883   8.193
   56    HD3  ARG  30           3HD      ARG  30   2.419   1.986   6.843
   57   HH11  ARG  30          1HH1      ARG  30   4.483   0.165   7.243
   58   HH12  ARG  30          2HH1      ARG  30   6.187   0.204   7.628
   59   HH21  ARG  30          1HH2      ARG  30   6.135   3.451   8.670
   60   HH22  ARG  30          2HH2      ARG  30   7.103   2.027   8.348
   61    H    ILE  31           H        ILE  31   0.737   3.515   5.292
   62    HA   ILE  31           HA       ILE  31  -2.206   3.709   5.687
   63    HB   ILE  31           HB       ILE  31  -2.557   3.134   3.333
   64   HG12  ILE  31          2HG1      ILE  31   0.422   3.454   2.914
   65   HG13  ILE  31          3HG1      ILE  31  -0.490   1.931   2.949
   66   HG21  ILE  31          1HG2      ILE  31  -2.011   5.271   2.294
   67   HG22  ILE  31          2HG2      ILE  31  -2.613   5.457   3.940
   68   HG23  ILE  31          3HG2      ILE  31  -0.873   5.639   3.612
   69   HD11  ILE  31          3HD1      ILE  31  -0.710   4.115   0.867
   70   HD12  ILE  31          1HD1      ILE  31  -0.119   2.459   0.671
   71   HD13  ILE  31          2HD1      ILE  31  -1.844   2.743   1.000
   72    H    THR  32           H        THR  32  -3.316   1.834   5.115
   73    HA   THR  32           HA       THR  32  -1.856  -0.771   5.506
   74    HB   THR  32           HB       THR  32  -4.420   0.377   6.574
   75    HG1  THR  32           1HG      THR  32  -3.377  -0.131   8.522
   76   HG21  THR  32          1HG2      THR  32  -4.712  -1.889   7.780
   77   HG22  THR  32          2HG2      THR  32  -5.286  -1.674   6.114
   78   HG23  THR  32          3HG2      THR  32  -3.765  -2.526   6.414
   79    H    MET  33           H        MET  33  -2.299  -2.261   4.117
   80    HA   MET  33           HA       MET  33  -4.599  -1.920   2.310
   81    HB2  MET  33           2HB      MET  33  -1.905  -3.080   1.477
   82    HB3  MET  33           3HB      MET  33  -3.254  -2.645   0.443
   83    HG2  MET  33           2HG      MET  33  -2.843  -0.226   1.453
   84    HG3  MET  33           3HG      MET  33  -1.288  -0.899   1.872
   85    HE1  MET  33           3HE      MET  33  -0.051  -1.961  -1.740
   86    HE2  MET  33           1HE      MET  33  -0.045  -2.369   0.003
   87    HE3  MET  33           2HE      MET  33  -1.442  -2.813  -1.012
   88    H    LYS  34           H        LYS  34  -6.018  -3.560   2.322
   89    HA   LYS  34           HA       LYS  34  -5.195  -6.396   2.829
   90    HB2  LYS  34           2HB      LYS  34  -7.356  -6.066   4.629
   91    HB3  LYS  34           3HB      LYS  34  -5.846  -6.379   4.937
   92    HG2  LYS  34           2HG      LYS  34  -6.659  -4.541   6.329
   93    HG3  LYS  34           3HG      LYS  34  -5.626  -3.693   5.160
   94    HD2  LYS  34           2HD      LYS  34  -7.703  -3.410   3.708
   95    HD3  LYS  34           3HD      LYS  34  -8.662  -4.132   4.961
   96    HE2  LYS  34           2HE      LYS  34  -7.081  -1.520   5.130
   97    HE3  LYS  34           3HE      LYS  34  -8.809  -1.665   4.849
   98    HZ1  LYS  34           3HZ      LYS  34  -9.009  -2.729   7.054
   99    HZ2  LYS  34           1HZ      LYS  34  -7.420  -2.441   7.359
  100    HZ3  LYS  34           2HZ      LYS  34  -8.467  -1.191   7.120
  101    H    ASN  35           H        ASN  35  -6.939  -7.863   2.897
  102    HA   ASN  35           HA       ASN  35  -9.412  -6.858   3.109
  103    HB2  ASN  35           2HB      ASN  35  -9.722  -6.105   1.081
  104    HB3  ASN  35           3HB      ASN  35  -8.646  -7.148   0.287
  105   HD21  ASN  35          2HD2      ASN  35  -9.371  -9.109  -0.619
  106   HD22  ASN  35          1HD2      ASN  35 -11.095  -9.327  -0.966
  107    H    LEU  36           H        LEU  36 -11.258  -8.778   2.541
  108    HA   LEU  36           HA       LEU  36 -11.019 -10.184   4.864
  109    HG   LEU  36           HG       LEU  36 -13.388 -10.053   5.355
  110    HB2  LEU  36           2HB      LEU  36 -12.725 -10.601   2.424
  111    HB3  LEU  36           3HB      LEU  36 -12.770 -11.785   3.721
  112   HD11  LEU  36          1HD1      LEU  36 -12.444  -8.010   4.397
  113   HD12  LEU  36          2HD1      LEU  36 -13.488  -8.163   2.964
  114   HD13  LEU  36          3HD1      LEU  36 -14.188  -7.829   4.558
  115   HD21  LEU  36          3HD2      LEU  36 -15.121 -11.334   4.152
  116   HD22  LEU  36          1HD2      LEU  36 -15.677  -9.699   4.538
  117   HD23  LEU  36          2HD2      LEU  36 -15.166 -10.088   2.877
  118    HA   PRO  37           HA       PRO  37  -9.136 -14.152   3.267
  119    HB2  PRO  37           2HB      PRO  37  -8.533 -14.702   0.684
  120    HB3  PRO  37           3HB      PRO  37 -10.201 -14.795   1.328
  121    HG2  PRO  37           2HG      PRO  37  -8.912 -12.519  -0.183
  122    HG3  PRO  37           3HG      PRO  37 -10.499 -13.282  -0.493
  123    HD2  PRO  37           2HD      PRO  37 -10.243 -10.979   0.961
  124    HD3  PRO  37           3HD      PRO  37 -11.493 -12.202   1.320
  125    H    GLU  38           H        GLU  38  -7.587 -11.167   2.067
  126    HA   GLU  38           HA       GLU  38  -4.941 -12.443   2.551
  127    HB2  GLU  38           2HB      GLU  38  -4.088 -11.760   0.485
  128    HB3  GLU  38           3HB      GLU  38  -5.610 -12.568   0.145
  129    HG2  GLU  38           2HG      GLU  38  -5.317  -9.527   0.230
  130    HG3  GLU  38           3HG      GLU  38  -5.044 -10.483  -1.189
  131    H    GLY  39           H        GLY  39  -3.153 -11.252   2.821
  132    HA2  GLY  39           2HA      GLY  39  -3.333  -8.276   3.169
  133    HA3  GLY  39           3HA      GLY  39  -2.446  -9.332   4.287
  134    H    CYS  40           H        CYS  40  -2.065 -10.700   1.318
  135    HA   CYS  40           HA       CYS  40  -0.216 -11.207   0.158
  136    HG   CYS  40           HG       CYS  40  -2.595  -8.949  -0.321
  137    HB2  CYS  40           2HB      CYS  40  -0.114  -8.198  -0.091
  138    HB3  CYS  40           3HB      CYS  40   0.562  -9.391  -1.227
  139    H    SER  41           H        SER  41   2.232  -9.624  -0.165
  140    HA   SER  41           HA       SER  41   3.608  -9.760   2.460
  141    HG   SER  41           HG       SER  41   3.638 -12.240   2.411
  142    HB2  SER  41           2HB      SER  41   4.581 -11.175  -0.060
  143    HB3  SER  41           3HB      SER  41   5.432 -11.095   1.491
  144    H    TRP  42           H        TRP  42   5.687  -8.428   2.390
  145    HA   TRP  42           HA       TRP  42   5.197  -6.079   1.019
  146    HD1  TRP  42           HD1      TRP  42   9.731  -5.093   2.021
  147    HE1  TRP  42           HE1      TRP  42  10.036  -2.828   0.865
  148    HE3  TRP  42           HE3      TRP  42   4.846  -4.140   0.670
  149    HZ2  TRP  42           HZ2      TRP  42   8.439  -1.012  -0.729
  150    HZ3  TRP  42           HZ3      TRP  42   4.316  -2.226  -0.750
  151    HH2  TRP  42           HH2      TRP  42   6.061  -0.681  -1.490
  152    HB2  TRP  42           2HB      TRP  42   6.734  -6.126   2.924
  153    HB3  TRP  42           3HB      TRP  42   7.933  -6.942   1.951
  154    H    GLN  43           H        GLN  43   7.446  -8.636  -0.012
  155    HA   GLN  43           HA       GLN  43   8.398  -7.450  -2.304
  156    HB2  GLN  43           2HB      GLN  43   8.556  -9.865  -3.194
  157    HB3  GLN  43           3HB      GLN  43   9.351  -9.517  -1.663
  158    HG2  GLN  43           2HG      GLN  43   7.598 -10.610  -0.384
  159    HG3  GLN  43           3HG      GLN  43   6.565 -10.753  -1.798
  160   HE21  GLN  43          2HE2      GLN  43   6.655 -12.686  -2.938
  161   HE22  GLN  43          1HE2      GLN  43   7.942 -13.862  -2.726
  162    H    ASP  44           H        ASP  44   5.272  -8.969  -1.937
  163    HA   ASP  44           HA       ASP  44   4.538  -9.083  -4.761
  164    HB2  ASP  44           2HB      ASP  44   3.648 -10.195  -2.316
  165    HB3  ASP  44           3HB      ASP  44   2.444  -9.071  -2.648
  166    H    LEU  45           H        LEU  45   3.863  -7.171  -1.911
  167    HA   LEU  45           HA       LEU  45   1.850  -5.626  -3.113
  168    HG   LEU  45           HG       LEU  45   1.720  -6.967  -0.351
  169    HB2  LEU  45           2HB      LEU  45   3.575  -5.469  -0.614
  170    HB3  LEU  45           3HB      LEU  45   2.539  -4.130  -0.986
  171   HD11  LEU  45          1HD1      LEU  45   0.779  -5.830   1.628
  172   HD12  LEU  45          2HD1      LEU  45   2.452  -5.264   1.413
  173   HD13  LEU  45          3HD1      LEU  45   1.148  -4.226   0.882
  174   HD21  LEU  45          3HD2      LEU  45   0.029  -4.657  -1.395
  175   HD22  LEU  45          1HD2      LEU  45  -0.023  -6.377  -1.835
  176   HD23  LEU  45          2HD2      LEU  45  -0.671  -5.847  -0.281
  177    H    LYS  46           H        LYS  46   5.285  -5.138  -2.488
  178    HA   LYS  46           HA       LYS  46   5.684  -2.434  -3.382
  179    HB2  LYS  46           2HB      LYS  46   7.302  -3.850  -2.093
  180    HB3  LYS  46           3HB      LYS  46   7.490  -4.901  -3.484
  181    HG2  LYS  46           2HG      LYS  46   8.104  -1.964  -3.701
  182    HG3  LYS  46           3HG      LYS  46   9.237  -3.030  -2.893
  183    HD2  LYS  46           2HD      LYS  46   8.336  -3.450  -5.785
  184    HD3  LYS  46           3HD      LYS  46   9.762  -2.583  -5.241
  185    HE2  LYS  46           2HE      LYS  46  10.732  -4.594  -5.664
  186    HE3  LYS  46           3HE      LYS  46  10.337  -4.816  -3.959
  187    HZ1  LYS  46           3HZ      LYS  46   8.335  -6.090  -4.720
  188    HZ2  LYS  46           1HZ      LYS  46   8.759  -5.867  -6.277
  189    HZ3  LYS  46           2HZ      LYS  46   9.710  -6.739  -5.301
  190    H    ASP  47           H        ASP  47   5.839  -5.609  -4.965
  191    HA   ASP  47           HA       ASP  47   6.232  -4.645  -7.633
  192    HB2  ASP  47           2HB      ASP  47   5.355  -7.165  -6.225
  193    HB3  ASP  47           3HB      ASP  47   4.667  -6.975  -7.780
  194    H    LEU  48           H        LEU  48   3.059  -5.782  -6.433
  195    HA   LEU  48           HA       LEU  48   1.604  -4.717  -8.481
  196    HG   LEU  48           HG       LEU  48  -1.379  -5.150  -6.566
  197    HB2  LEU  48           2HB      LEU  48   0.698  -6.072  -6.627
  198    HB3  LEU  48           3HB      LEU  48   0.729  -4.632  -5.594
  199   HD11  LEU  48          1HD1      LEU  48  -1.577  -3.268  -5.684
  200   HD12  LEU  48          2HD1      LEU  48  -0.889  -2.413  -7.084
  201   HD13  LEU  48          3HD1      LEU  48  -2.425  -3.300  -7.240
  202   HD21  LEU  48          3HD2      LEU  48  -2.117  -5.035  -8.772
  203   HD22  LEU  48          1HD2      LEU  48  -0.494  -4.511  -9.312
  204   HD23  LEU  48          2HD2      LEU  48  -0.738  -6.125  -8.637
  205    H    ALA  49           H        ALA  49   2.459  -2.944  -5.510
  206    HA   ALA  49           HA       ALA  49   0.960  -0.671  -6.066
  207    HB1  ALA  49           1HB      ALA  49   2.591   0.309  -4.384
  208    HB2  ALA  49           2HB      ALA  49   1.908  -1.232  -3.917
  209    HB3  ALA  49           3HB      ALA  49   3.581  -1.151  -4.573
  210    H    ARG  50           H        ARG  50   4.364  -1.455  -6.901
  211    HA   ARG  50           HA       ARG  50   4.764   0.918  -8.584
  212    HE   ARG  50           HE       ARG  50   7.876   0.793  -4.255
  213    HB2  ARG  50           2HB      ARG  50   6.364  -1.613  -8.041
  214    HB3  ARG  50           3HB      ARG  50   6.869  -0.382  -9.201
  215    HG2  ARG  50           2HG      ARG  50   7.532   1.034  -7.636
  216    HG3  ARG  50           3HG      ARG  50   6.029   0.922  -6.744
  217    HD2  ARG  50           2HD      ARG  50   6.660  -0.674  -5.328
  218    HD3  ARG  50           3HD      ARG  50   7.993  -1.284  -6.270
  219   HH11  ARG  50          2HH1      ARG  50   9.698   0.462  -7.252
  220   HH12  ARG  50          1HH1      ARG  50  10.566   1.933  -6.854
  221   HH21  ARG  50          1HH2      ARG  50   9.159   2.443  -3.856
  222   HH22  ARG  50          2HH2      ARG  50  10.342   2.921  -5.047
  223    H    GLU  51           H        GLU  51   3.198  -2.162  -9.147
  224    HA   GLU  51           HA       GLU  51   3.203  -1.821 -12.083
  225    HB2  GLU  51           2HB      GLU  51   1.305  -3.359 -10.248
  226    HB3  GLU  51           3HB      GLU  51   1.191  -3.323 -11.902
  227    HG2  GLU  51           2HG      GLU  51   3.646  -4.404 -11.880
  228    HG3  GLU  51           3HG      GLU  51   3.604  -4.252 -10.217
  229    H    ASN  52           H        ASN  52   1.519  -0.498  -9.391
  230    HA   ASN  52           HA       ASN  52  -0.752   0.566 -10.955
  231    HB2  ASN  52           2HB      ASN  52  -0.187  -0.494  -8.213
  232    HB3  ASN  52           3HB      ASN  52  -1.302   0.682  -8.201
  233   HD21  ASN  52          2HD2      ASN  52  -0.591  -2.393  -9.544
  234   HD22  ASN  52          1HD2      ASN  52  -2.279  -2.853  -9.715
  235    H    SER  53           H        SER  53   2.037   1.841  -9.443
  236    HA   SER  53           HA       SER  53   2.889   3.882 -10.237
  237    HG   SER  53           HG       SER  53   0.032   4.110 -11.659
  238    HB2  SER  53           2HB      SER  53   0.198   5.205  -9.769
  239    HB3  SER  53           3HB      SER  53   1.686   5.956 -10.349
  240    H    LEU  54           H        LEU  54   1.961   2.694  -7.419
  241    HA   LEU  54           HA       LEU  54   1.819   4.801  -5.541
  242    HG   LEU  54           HG       LEU  54   0.601   1.632  -4.081
  243    HB2  LEU  54           2HB      LEU  54   2.024   1.922  -5.667
  244    HB3  LEU  54           3HB      LEU  54   3.054   2.432  -4.379
  245   HD11  LEU  54          1HD1      LEU  54   0.364   2.865  -1.994
  246   HD12  LEU  54          2HD1      LEU  54   2.016   2.335  -2.226
  247   HD13  LEU  54          3HD1      LEU  54   1.588   4.043  -2.536
  248   HD21  LEU  54          3HD2      LEU  54  -1.107   3.167  -4.096
  249   HD22  LEU  54          1HD2      LEU  54  -0.049   4.564  -4.399
  250   HD23  LEU  54          2HD2      LEU  54  -0.334   3.346  -5.670
  251    H    GLU  55           H        GLU  55   4.797   3.298  -6.852
  252    HA   GLU  55           HA       GLU  55   6.887   3.189  -6.132
  253    HB2  GLU  55           2HB      GLU  55   6.556   5.394  -7.248
  254    HB3  GLU  55           3HB      GLU  55   6.439   6.123  -5.650
  255    HG2  GLU  55           2HG      GLU  55   8.590   6.428  -6.475
  256    HG3  GLU  55           3HG      GLU  55   8.689   5.308  -5.102
  257    H    THR  56           H        THR  56   5.842   5.426  -3.797
  258    HA   THR  56           HA       THR  56   6.345   5.801  -1.583
  259    HB   THR  56           HB       THR  56   5.688   4.163  -0.017
  260    HG1  THR  56           1HG      THR  56   6.223   2.383  -2.144
  261   HG21  THR  56          1HG2      THR  56   3.784   4.954  -1.148
  262   HG22  THR  56          2HG2      THR  56   3.991   3.777  -2.471
  263   HG23  THR  56          3HG2      THR  56   3.591   3.243  -0.823
  264    H    THR  57           H        THR  57   7.527   4.627   0.522
  265    HA   THR  57           HA       THR  57  10.382   4.202  -0.246
  266    HB   THR  57           HB       THR  57   9.257   4.439   2.550
  267    HG1  THR  57           1HG      THR  57  10.238   6.567   0.941
  268   HG21  THR  57          1HG2      THR  57  11.558   3.700   2.465
  269   HG22  THR  57          2HG2      THR  57  11.996   5.061   1.402
  270   HG23  THR  57          3HG2      THR  57  11.469   5.362   3.080
  271    H    PHE  58           H        PHE  58   7.845   2.825   1.934
  272    HA   PHE  58           HA       PHE  58   8.922   0.128   1.690
  273    HD1  PHE  58           HD1      PHE  58   9.103   3.539   4.458
  274    HD2  PHE  58           HD2      PHE  58   9.406  -0.573   5.729
  275    HE1  PHE  58           HE1      PHE  58   8.984   4.255   6.828
  276    HE2  PHE  58           HE2      PHE  58   9.211   0.141   8.091
  277    HZ   PHE  58           HZ       PHE  58   9.108   2.573   8.652
  278    HB2  PHE  58           2HB      PHE  58  10.069   0.005   3.589
  279    HB3  PHE  58           3HB      PHE  58  10.509   1.606   3.192
  280    H    SER  59           H        SER  59   7.994  -1.366   3.393
  281    HA   SER  59           HA       SER  59   5.444  -0.501   4.590
  282    HG   SER  59           HG       SER  59   3.333  -1.865   3.965
  283    HB2  SER  59           2HB      SER  59   4.810  -1.416   2.407
  284    HB3  SER  59           3HB      SER  59   5.653  -2.882   2.752
  285    H    SER  60           H        SER  60   4.561  -2.235   5.960
  286    HA   SER  60           HA       SER  60   6.454  -4.278   7.050
  287    HG   SER  60           HG       SER  60   5.661  -3.788  10.349
  288    HB2  SER  60           2HB      SER  60   5.881  -2.301   8.634
  289    HB3  SER  60           3HB      SER  60   4.234  -2.991   8.644
  290    H    VAL  61           H        VAL  61   5.646  -6.257   6.585
  291    HA   VAL  61           HA       VAL  61   2.727  -6.698   6.359
  292    HB   VAL  61           HB       VAL  61   4.592  -7.784   4.234
  293   HG11  VAL  61          1HG1      VAL  61   2.332  -8.741   4.210
  294   HG12  VAL  61          2HG1      VAL  61   1.612  -7.122   4.260
  295   HG13  VAL  61          3HG1      VAL  61   2.490  -7.662   2.833
  296   HG21  VAL  61          3HG2      VAL  61   4.958  -5.370   4.058
  297   HG22  VAL  61          1HG2      VAL  61   3.964  -5.932   2.725
  298   HG23  VAL  61          2HG2      VAL  61   3.214  -5.090   4.091
  299    H    ASN  62           H        ASN  62   2.199  -9.048   6.111
  300    HA   ASN  62           HA       ASN  62   2.236 -11.219   6.717
  301    HB2  ASN  62           2HB      ASN  62   5.248 -10.978   7.015
  302    HB3  ASN  62           3HB      ASN  62   4.325 -12.461   6.816
  303   HD21  ASN  62          2HD2      ASN  62   6.148 -10.130   5.171
  304   HD22  ASN  62          1HD2      ASN  62   5.619 -10.574   3.568
  305    H    THR  63           H        THR  63   2.501  -8.881   8.806
  306    HA   THR  63           HA       THR  63   2.114 -10.401  11.238
  307    HB   THR  63           HB       THR  63   4.577 -10.493  11.058
  308    HG1  THR  63           1HG      THR  63   4.957  -9.818  13.114
  309   HG21  THR  63          1HG2      THR  63   5.062  -8.383   9.882
  310   HG22  THR  63          2HG2      THR  63   4.541  -7.453  11.297
  311   HG23  THR  63          3HG2      THR  63   5.964  -8.511  11.396
  312    H    ARG  64           H        ARG  64   2.581  -8.265  13.019
  313    HA   ARG  64           HA       ARG  64   1.916  -6.252  13.860
  314    HE   ARG  64           HE       ARG  64  -0.021  -3.439  10.885
  315    HB2  ARG  64           2HB      ARG  64   3.003  -5.560  11.570
  316    HB3  ARG  64           3HB      ARG  64   1.348  -5.281  11.046
  317    HG2  ARG  64           2HG      ARG  64   1.278  -3.768  13.285
  318    HG3  ARG  64           3HG      ARG  64   3.023  -3.805  13.057
  319    HD2  ARG  64           2HD      ARG  64   2.320  -1.876  11.943
  320    HD3  ARG  64           3HD      ARG  64   2.566  -3.039  10.629
  321   HH11  ARG  64          2HH2      ARG  64   1.413  -0.242  11.297
  322   HH12  ARG  64          1HH2      ARG  64  -0.136   0.525  10.962
  323   HH21  ARG  64          1HH1      ARG  64  -1.815  -2.423  10.551
  324   HH22  ARG  64          2HH1      ARG  64  -1.918  -0.650  10.524
  325    H    ASP  65           H        ASP  65  -0.325  -7.650  11.646
  326    HA   ASP  65           HA       ASP  65  -2.600  -5.974  12.634
  327    HB2  ASP  65           2HB      ASP  65  -1.957  -7.390  10.036
  328    HB3  ASP  65           3HB      ASP  65  -3.434  -6.477  10.307
  329    H    PHE  66           H        PHE  66  -4.700  -7.242  11.533
  330    HA   PHE  66           HA       PHE  66  -5.620  -9.210  13.254
  331    HD1  PHE  66           HD2      PHE  66  -5.405  -7.631   9.234
  332    HD2  PHE  66           HD1      PHE  66  -7.807 -11.055  10.294
  333    HE1  PHE  66           HE2      PHE  66  -5.363  -8.412   6.874
  334    HE2  PHE  66           HE1      PHE  66  -7.795 -11.793   7.922
  335    HZ   PHE  66           HZ       PHE  66  -6.587 -10.454   6.207
  336    HB2  PHE  66           2HB      PHE  66  -7.459  -9.330  11.886
  337    HB3  PHE  66           3HB      PHE  66  -6.821  -7.768  11.424
  338    H    ASP  67           H        ASP  67  -3.599  -9.646  10.422
  339    HA   ASP  67           HA       ASP  67  -2.603 -12.182  11.335
  340    HB2  ASP  67           2HB      ASP  67  -4.598 -13.099  10.188
  341    HB3  ASP  67           3HB      ASP  67  -4.239 -12.145   8.746
  342    H    GLY  68           H        GLY  68  -3.128 -10.038   8.556
  343    HA2  GLY  68           2HA      GLY  68  -0.620  -8.760   8.686
  344    HA3  GLY  68           3HA      GLY  68  -0.597  -9.967   7.390
  345    H    THR  69           H        THR  69  -0.755  -6.970   7.544
  346    HA   THR  69           HA       THR  69  -2.438  -6.728   5.073
  347    HB   THR  69           HB       THR  69  -3.257  -4.645   5.570
  348    HG1  THR  69           1HG      THR  69  -1.613  -4.631   7.885
  349   HG21  THR  69          1HG2      THR  69  -4.579  -6.307   6.717
  350   HG22  THR  69          2HG2      THR  69  -3.579  -6.171   8.158
  351   HG23  THR  69          3HG2      THR  69  -4.555  -4.787   7.633
  352    H    GLY  70           H        GLY  70  -1.609  -5.015   3.700
  353    HA2  GLY  70           2HA      GLY  70   1.260  -4.560   3.603
  354    HA3  GLY  70           3HA      GLY  70  -0.015  -3.889   2.564
  355    H    ALA  71           H        ALA  71   1.648  -3.391   5.706
  356    HA   ALA  71           HA       ALA  71   0.302  -0.792   5.812
  357    HB1  ALA  71           1HB      ALA  71   1.067  -0.638   8.074
  358    HB2  ALA  71           2HB      ALA  71   0.464  -2.273   7.820
  359    HB3  ALA  71           3HB      ALA  71   2.216  -1.983   7.841
  360    H    LEU  72           H        LEU  72   1.123   0.437   4.197
  361    HA   LEU  72           HA       LEU  72   4.012   0.610   3.482
  362    HG   LEU  72           HG       LEU  72   2.176   0.863   0.231
  363    HB2  LEU  72           2HB      LEU  72   1.432   1.427   2.353
  364    HB3  LEU  72           3HB      LEU  72   2.741   2.387   1.916
  365   HD11  LEU  72          1HD1      LEU  72   4.473   1.644   0.594
  366   HD12  LEU  72          2HD1      LEU  72   4.886   0.058   1.171
  367   HD13  LEU  72          3HD1      LEU  72   4.245   0.258  -0.468
  368   HD21  LEU  72          3HD2      LEU  72   2.380  -1.515   0.270
  369   HD22  LEU  72          1HD2      LEU  72   2.713  -1.468   2.005
  370   HD23  LEU  72          2HD2      LEU  72   1.158  -0.921   1.405
  371    H    GLU  73           H        GLU  73   5.042   2.612   3.298
  372    HA   GLU  73           HA       GLU  73   3.880   5.051   4.671
  373    HB2  GLU  73           2HB      GLU  73   4.972   4.045   6.385
  374    HB3  GLU  73           3HB      GLU  73   6.415   3.644   5.471
  375    HG2  GLU  73           2HG      GLU  73   7.318   5.760   5.640
  376    HG3  GLU  73           3HG      GLU  73   5.773   6.569   5.760
  377    H    PHE  74           H        PHE  74   4.625   7.062   3.935
  378    HA   PHE  74           HA       PHE  74   7.055   7.255   2.331
  379    HD1  PHE  74           HD2      PHE  74   7.553   6.747   0.140
  380    HD2  PHE  74           HD1      PHE  74   5.512  10.490  -0.061
  381    HE1  PHE  74           HE2      PHE  74   9.284   7.575  -1.446
  382    HE2  PHE  74           HE1      PHE  74   7.275  11.382  -1.563
  383    HZ   PHE  74           HZ       PHE  74   9.156   9.921  -2.279
  384    HB2  PHE  74           2HB      PHE  74   4.776   7.214   0.787
  385    HB3  PHE  74           3HB      PHE  74   4.717   8.845   1.322
  386    HA   PRO  75           HA       PRO  75   7.293  11.184   4.559
  387    HB2  PRO  75           2HB      PRO  75   8.924  12.092   2.188
  388    HB3  PRO  75           3HB      PRO  75   9.271  12.278   3.929
  389    HG2  PRO  75           2HG      PRO  75  10.512  10.347   2.520
  390    HG3  PRO  75           3HG      PRO  75   9.825   9.947   4.130
  391    HD2  PRO  75           2HD      PRO  75   8.594   9.504   1.404
  392    HD3  PRO  75           3HD      PRO  75   8.766   8.351   2.762
  393    H    SER  76           H        SER  76   5.354  11.039   1.761
  394    HA   SER  76           HA       SER  76   4.549  13.939   1.920
  395    HG   SER  76           HG       SER  76   6.950  14.049   0.783
  396    HB2  SER  76           2HB      SER  76   4.983  12.566  -0.657
  397    HB3  SER  76           3HB      SER  76   4.912  14.298  -0.321
  398    H    GLU  77           H        GLU  77   2.446  13.865   2.345
  399    HA   GLU  77           HA       GLU  77   0.822  11.611   2.117
  400    HB2  GLU  77           2HB      GLU  77  -1.086  13.083   2.561
  401    HB3  GLU  77           3HB      GLU  77   0.277  13.348   3.632
  402    HG2  GLU  77           2HG      GLU  77   0.921  15.310   2.047
  403    HG3  GLU  77           3HG      GLU  77  -0.686  15.095   1.329
  404    H    GLU  78           H        GLU  78   1.614  13.788  -0.440
  405    HA   GLU  78           HA       GLU  78  -0.461  13.380  -2.320
  406    HB2  GLU  78           2HB      GLU  78   2.524  13.312  -2.903
  407    HB3  GLU  78           3HB      GLU  78   1.210  13.727  -4.003
  408    HG2  GLU  78           2HG      GLU  78   1.694  15.873  -3.468
  409    HG3  GLU  78           3HG      GLU  78   0.761  15.554  -1.994
  410    H    ILE  79           H        ILE  79   2.165  11.135  -1.440
  411    HA   ILE  79           HA       ILE  79   1.404   9.123  -3.385
  412    HB   ILE  79           HB       ILE  79   3.211   8.940  -0.948
  413   HG12  ILE  79          2HG1      ILE  79   3.543  10.203  -3.578
  414   HG13  ILE  79          3HG1      ILE  79   4.345  10.510  -2.104
  415   HG21  ILE  79          1HG2      ILE  79   4.184   6.964  -2.068
  416   HG22  ILE  79          2HG2      ILE  79   2.480   6.718  -1.749
  417   HG23  ILE  79          3HG2      ILE  79   2.990   7.154  -3.387
  418   HD11  ILE  79          3HD1      ILE  79   4.975   8.383  -4.209
  419   HD12  ILE  79          1HD1      ILE  79   5.946   9.797  -3.784
  420   HD13  ILE  79          2HD1      ILE  79   5.811   8.438  -2.651
  421    H    LEU  80           H        LEU  80   0.690   9.701  -0.000
  422    HA   LEU  80           HA       LEU  80  -0.601   7.261   0.620
  423    HG   LEU  80           HG       LEU  80  -2.807   9.884   1.950
  424    HB2  LEU  80           2HB      LEU  80  -0.180   8.402   2.489
  425    HB3  LEU  80           3HB      LEU  80  -0.310   9.955   1.769
  426   HD11  LEU  80          1HD1      LEU  80  -3.863   8.337   3.389
  427   HD12  LEU  80          2HD1      LEU  80  -2.938   7.348   2.254
  428   HD13  LEU  80          3HD1      LEU  80  -2.311   7.638   3.908
  429   HD21  LEU  80          3HD2      LEU  80  -1.445  11.070   3.615
  430   HD22  LEU  80          1HD2      LEU  80  -2.865  10.298   4.349
  431   HD23  LEU  80          2HD2      LEU  80  -1.259   9.562   4.540
  432    H    VAL  81           H        VAL  81  -1.848  10.387  -0.581
  433    HA   VAL  81           HA       VAL  81  -4.643   9.563  -0.682
  434    HB   VAL  81           HB       VAL  81  -3.107  11.948  -1.847
  435   HG11  VAL  81          1HG1      VAL  81  -6.130  11.534  -1.772
  436   HG12  VAL  81          2HG1      VAL  81  -5.318  13.070  -2.142
  437   HG13  VAL  81          3HG1      VAL  81  -5.120  11.693  -3.222
  438   HG21  VAL  81          3HG2      VAL  81  -5.040  11.744   0.498
  439   HG22  VAL  81          1HG2      VAL  81  -3.275  11.886   0.628
  440   HG23  VAL  81          2HG2      VAL  81  -4.209  13.221  -0.045
  441    H    GLU  82           H        GLU  82  -1.996   9.712  -3.009
  442    HA   GLU  82           HA       GLU  82  -3.279   8.977  -5.352
  443    HB2  GLU  82           2HB      GLU  82  -0.670   8.837  -3.969
  444    HB3  GLU  82           3HB      GLU  82  -0.883   7.508  -4.943
  445    HG2  GLU  82           2HG      GLU  82  -1.052  10.433  -5.711
  446    HG3  GLU  82           3HG      GLU  82   0.374   9.419  -5.956
  447    H    ALA  83           H        ALA  83  -1.702   6.683  -3.035
  448    HA   ALA  83           HA       ALA  83  -2.929   4.269  -3.933
  449    HB1  ALA  83           1HB      ALA  83  -2.333   4.928  -1.012
  450    HB2  ALA  83           2HB      ALA  83  -2.227   3.359  -1.839
  451    HB3  ALA  83           3HB      ALA  83  -1.055   4.653  -2.195
  452    H    LEU  84           H        LEU  84  -4.290   6.530  -1.567
  453    HA   LEU  84           HA       LEU  84  -6.540   4.823  -0.859
  454    HG   LEU  84           HG       LEU  84  -4.897   7.547   1.019
  455    HB2  LEU  84           2HB      LEU  84  -6.356   7.859  -0.609
  456    HB3  LEU  84           3HB      LEU  84  -7.583   6.873   0.053
  457   HD11  LEU  84          1HD1      LEU  84  -5.973   7.299   3.165
  458   HD12  LEU  84          2HD1      LEU  84  -6.973   8.251   2.063
  459   HD13  LEU  84          3HD1      LEU  84  -7.399   6.555   2.394
  460   HD21  LEU  84          3HD2      LEU  84  -4.380   5.229   0.622
  461   HD22  LEU  84          1HD2      LEU  84  -4.649   5.464   2.356
  462   HD23  LEU  84          2HD2      LEU  84  -5.932   4.725   1.308
  463    H    GLU  85           H        GLU  85  -5.965   7.049  -3.505
  464    HA   GLU  85           HA       GLU  85  -8.691   6.481  -4.443
  465    HB2  GLU  85           2HB      GLU  85  -6.629   8.558  -5.286
  466    HB3  GLU  85           3HB      GLU  85  -8.156   8.313  -6.141
  467    HG2  GLU  85           2HG      GLU  85  -9.424   8.808  -4.069
  468    HG3  GLU  85           3HG      GLU  85  -7.914   9.100  -3.211
  469    H    ARG  86           H        ARG  86  -5.632   5.154  -4.924
  470    HA   ARG  86           HA       ARG  86  -6.071   4.386  -7.778
  471    HE   ARG  86           HE       ARG  86  -2.666   7.867  -8.842
  472    HB2  ARG  86           2HB      ARG  86  -3.694   5.016  -6.054
  473    HB3  ARG  86           3HB      ARG  86  -3.495   3.643  -6.887
  474    HG2  ARG  86           2HG      ARG  86  -2.580   5.342  -8.211
  475    HG3  ARG  86           3HG      ARG  86  -4.049   4.856  -9.080
  476    HD2  ARG  86           2HD      ARG  86  -5.348   6.705  -8.165
  477    HD3  ARG  86           3HD      ARG  86  -4.051   7.128  -7.056
  478   HH11  ARG  86          2HH1      ARG  86  -6.101   7.842  -9.609
  479   HH12  ARG  86          1HH1      ARG  86  -6.015   9.409 -10.376
  480   HH21  ARG  86          1HH2      ARG  86  -2.713   9.875  -9.555
  481   HH22  ARG  86          2HH2      ARG  86  -4.079  10.504 -10.459
  482    H    LEU  87           H        LEU  87  -5.692   3.079  -4.545
  483    HA   LEU  87           HA       LEU  87  -5.819   0.325  -5.564
  484    HG   LEU  87           HG       LEU  87  -3.820  -0.231  -5.746
  485    HB2  LEU  87           2HB      LEU  87  -4.031   1.749  -3.553
  486    HB3  LEU  87           3HB      LEU  87  -4.481   0.096  -3.279
  487   HD11  LEU  87          1HD1      LEU  87  -1.616   1.211  -6.073
  488   HD12  LEU  87          2HD1      LEU  87  -3.205   1.457  -6.824
  489   HD13  LEU  87          3HD1      LEU  87  -2.735   2.380  -5.356
  490   HD21  LEU  87          3HD2      LEU  87  -1.573   0.089  -3.744
  491   HD22  LEU  87          1HD2      LEU  87  -2.639  -1.328  -3.837
  492   HD23  LEU  87          2HD2      LEU  87  -1.582  -0.944  -5.204
  493    H    ASN  88           H        ASN  88  -7.882   2.436  -4.045
  494    HA   ASN  88           HA       ASN  88  -8.537   0.669  -1.847
  495    HB2  ASN  88           2HB      ASN  88  -8.779   3.121  -1.671
  496    HB3  ASN  88           3HB      ASN  88 -10.179   3.027  -2.754
  497   HD21  ASN  88          1HD2      ASN  88 -11.836   3.450  -1.243
  498   HD22  ASN  88          2HD2      ASN  88 -12.090   2.474   0.195
  499    H    ASN  89           H        ASN  89  -9.220  -1.241  -2.321
  500    HA   ASN  89           HA       ASN  89 -10.478  -2.969  -2.793
  501    HB2  ASN  89           2HB      ASN  89 -12.302  -1.472  -1.849
  502    HB3  ASN  89           3HB      ASN  89 -12.875  -1.310  -3.519
  503   HD21  ASN  89          1HD2      ASN  89 -11.987  -3.711  -0.975
  504   HD22  ASN  89          2HD2      ASN  89 -13.110  -4.935  -1.549
  505    H    ILE  90           H        ILE  90  -8.674  -2.579  -4.401
  506    HA   ILE  90           HA       ILE  90  -9.607  -2.735  -7.245
  507    HB   ILE  90           HB       ILE  90  -7.249  -2.461  -7.884
  508   HG12  ILE  90          2HG1      ILE  90  -6.271  -1.703  -5.185
  509   HG13  ILE  90          3HG1      ILE  90  -6.468  -3.401  -5.430
  510   HG21  ILE  90          1HG2      ILE  90  -8.721  -0.527  -7.679
  511   HG22  ILE  90          2HG2      ILE  90  -8.157  -0.260  -6.024
  512   HG23  ILE  90          3HG2      ILE  90  -7.022  -0.155  -7.400
  513   HD11  ILE  90          3HD1      ILE  90  -4.860  -1.662  -7.298
  514   HD12  ILE  90          1HD1      ILE  90  -4.226  -2.672  -5.974
  515   HD13  ILE  90          2HD1      ILE  90  -5.037  -3.438  -7.351
  516    H    GLU  91           H        GLU  91  -8.872  -4.490  -8.520
  517    HA   GLU  91           HA       GLU  91  -8.493  -6.955  -7.004
  518    HB2  GLU  91           2HB      GLU  91  -9.612  -6.449  -9.439
  519    HB3  GLU  91           3HB      GLU  91  -7.987  -7.002  -9.871
  520    HG2  GLU  91           2HG      GLU  91  -8.249  -9.041  -8.667
  521    HG3  GLU  91           3HG      GLU  91  -9.813  -8.562  -8.040
  522    H    PHE  92           H        PHE  92  -6.637  -7.376  -6.146
  523    HA   PHE  92           HA       PHE  92  -4.002  -6.381  -6.898
  524    HD1  PHE  92           HD2      PHE  92  -2.523  -5.726  -4.683
  525    HD2  PHE  92           HD1      PHE  92  -2.725  -9.963  -5.280
  526    HE1  PHE  92           HE2      PHE  92  -0.110  -5.926  -4.086
  527    HE2  PHE  92           HE1      PHE  92  -0.303 -10.164  -4.755
  528    HZ   PHE  92           HZ       PHE  92   0.997  -8.129  -4.175
  529    HB2  PHE  92           2HB      PHE  92  -4.690  -6.932  -4.568
  530    HB3  PHE  92           3HB      PHE  92  -4.811  -8.584  -4.978
  531    H    ARG  93           H        ARG  93  -4.326  -7.043  -9.025
  532    HA   ARG  93           HA       ARG  93  -4.064  -8.104 -10.871
  533    HE   ARG  93           HE       ARG  93   1.469  -7.876  -9.946
  534    HB2  ARG  93           2HB      ARG  93  -2.576 -10.384  -9.543
  535    HB3  ARG  93           3HB      ARG  93  -2.518  -9.900 -11.237
  536    HG2  ARG  93           2HG      ARG  93  -1.533  -7.678 -10.482
  537    HG3  ARG  93           3HG      ARG  93  -1.473  -8.359  -8.844
  538    HD2  ARG  93           2HD      ARG  93  -0.171 -10.344  -9.978
  539    HD3  ARG  93           3HD      ARG  93   0.067  -9.201 -11.301
  540   HH11  ARG  93          1HH2      ARG  93   0.133 -10.440  -7.897
  541   HH12  ARG  93          2HH2      ARG  93   1.319 -10.069  -6.645
  542   HH21  ARG  93          1HH1      ARG  93   2.736  -7.486  -8.338
  543   HH22  ARG  93          2HH1      ARG  93   2.620  -8.377  -6.793
  544    H    GLY  94           H        GLY  94  -4.879 -10.443  -8.398
  545    HA2  GLY  94           2HA      GLY  94  -7.384 -11.331  -9.629
  546    HA3  GLY  94           3HA      GLY  94  -6.178 -12.580  -9.325
  547    H    SER  95           H        SER  95  -5.494 -10.655  -6.716
  548    HA   SER  95           HA       SER  95  -7.566 -11.787  -4.902
  549    HG   SER  95           HG       SER  95  -6.185 -12.245  -2.801
  550    HB2  SER  95           2HB      SER  95  -4.756 -10.637  -4.604
  551    HB3  SER  95           3HB      SER  95  -5.903 -10.234  -3.375
  552    H    VAL  96           H        VAL  96  -7.801  -9.616  -3.255
  553    HA   VAL  96           HA       VAL  96  -7.851  -7.192  -4.865
  554    HB   VAL  96           HB       VAL  96  -9.894  -6.760  -5.227
  555   HG11  VAL  96          1HG1      VAL  96 -11.708  -8.268  -5.076
  556   HG12  VAL  96          2HG1      VAL  96 -10.250  -8.999  -5.736
  557   HG13  VAL  96          3HG1      VAL  96 -10.738  -9.357  -4.044
  558   HG21  VAL  96          3HG2      VAL  96 -11.680  -6.437  -3.686
  559   HG22  VAL  96          1HG2      VAL  96 -10.714  -7.156  -2.388
  560   HG23  VAL  96          2HG2      VAL  96 -10.209  -5.635  -3.167
  561    H    ILE  97           H        ILE  97  -7.762  -5.238  -3.608
  562    HA   ILE  97           HA       ILE  97  -7.388  -5.591  -0.685
  563    HB   ILE  97           HB       ILE  97  -5.420  -3.983  -0.890
  564   HG12  ILE  97          2HG1      ILE  97  -5.209  -5.147  -3.649
  565   HG13  ILE  97          3HG1      ILE  97  -5.646  -3.476  -3.280
  566   HG21  ILE  97          1HG2      ILE  97  -3.830  -5.741  -0.788
  567   HG22  ILE  97          2HG2      ILE  97  -5.331  -6.377  -0.126
  568   HG23  ILE  97          3HG2      ILE  97  -4.849  -6.832  -1.784
  569   HD11  ILE  97          3HD1      ILE  97  -3.300  -3.595  -3.912
  570   HD12  ILE  97          1HD1      ILE  97  -3.464  -3.093  -2.215
  571   HD13  ILE  97          2HD1      ILE  97  -2.964  -4.753  -2.620
  572    H    THR  98           H        THR  98  -7.890  -3.971   0.492
  573    HA   THR  98           HA       THR  98  -9.204  -1.472  -0.543
  574    HB   THR  98           HB       THR  98  -9.437  -2.998   2.048
  575    HG1  THR  98           1HG      THR  98 -11.388  -3.741   1.298
  576   HG21  THR  98          1HG2      THR  98 -10.031  -0.595   2.262
  577   HG22  THR  98          2HG2      THR  98 -11.283  -0.843   1.009
  578   HG23  THR  98          3HG2      THR  98 -11.378  -1.707   2.563
  579    H    VAL  99           H        VAL  99  -8.381   0.459   0.386
  580    HA   VAL  99           HA       VAL  99  -6.004   0.125   2.117
  581    HB   VAL  99           HB       VAL  99  -4.519   1.354   0.791
  582   HG11  VAL  99          1HG1      VAL  99  -4.831  -1.093   0.335
  583   HG12  VAL  99          2HG1      VAL  99  -5.843  -0.689  -1.034
  584   HG13  VAL  99          3HG1      VAL  99  -4.144  -0.184  -1.016
  585   HG21  VAL  99          3HG2      VAL  99  -5.880   2.944  -0.285
  586   HG22  VAL  99          1HG2      VAL  99  -5.186   1.949  -1.569
  587   HG23  VAL  99          2HG2      VAL  99  -6.871   1.690  -1.045
  588    H    GLU 100           H        GLU 100  -5.462   1.741   3.396
  589    HA   GLU 100           HA       GLU 100  -6.878   4.368   3.336
  590    HB2  GLU 100           2HB      GLU 100  -7.941   3.950   5.542
  591    HB3  GLU 100           3HB      GLU 100  -8.582   2.818   4.364
  592    HG2  GLU 100           2HG      GLU 100  -7.163   1.024   5.281
  593    HG3  GLU 100           3HG      GLU 100  -6.411   2.145   6.409
  594    H    ARG 101           H        ARG 101  -6.197   5.842   4.890
  595    HA   ARG 101           HA       ARG 101  -3.496   5.615   5.879
  596    HE   ARG 101           HE       ARG 101  -7.583   7.948   9.035
  597    HB2  ARG 101           2HB      ARG 101  -3.758   7.713   6.714
  598    HB3  ARG 101           3HB      ARG 101  -4.836   7.752   5.332
  599    HG2  ARG 101           2HG      ARG 101  -5.492   7.493   8.243
  600    HG3  ARG 101           3HG      ARG 101  -5.709   8.943   7.267
  601    HD2  ARG 101           2HD      ARG 101  -7.717   8.317   6.456
  602    HD3  ARG 101           3HD      ARG 101  -7.299   6.591   6.402
  603   HH11  ARG 101          2HH2      ARG 101  -9.128   5.597   7.011
  604   HH12  ARG 101          1HH2      ARG 101  -8.942   4.305   8.164
  605   HH21  ARG 101          1HH1      ARG 101  -7.465   6.408  10.512
  606   HH22  ARG 101          2HH1      ARG 101  -8.332   4.886  10.292
  607    H    ASP 102           H        ASP 102  -2.712   5.048   7.811
  608    HA   ASP 102           HA       ASP 102  -4.489   3.444   9.611
  609    HB2  ASP 102           2HB      ASP 102  -3.061   2.199   8.136
  610    HB3  ASP 102           3HB      ASP 102  -1.644   3.117   8.618
  611    H    ASP 103           H        ASP 103  -1.871   5.831   9.612
  612    HA   ASP 103           HA       ASP 103  -2.052   6.001  12.587
  613    HB2  ASP 103           2HB      ASP 103   0.108   6.964  12.617
  614    HB3  ASP 103           3HB      ASP 103   0.182   5.464  11.712
  615    H    ASN 104           H        ASN 104  -3.779   7.110  10.355
  616    HA   ASN 104           HA       ASN 104  -4.210   9.806  11.428
  617    HB2  ASN 104           2HB      ASN 104  -2.573   9.858   9.455
  618    HB3  ASN 104           3HB      ASN 104  -3.904   9.392   8.434
  619   HD21  ASN 104          2HD2      ASN 104  -5.968  11.004   9.275
  620   HD22  ASN 104          1HD2      ASN 104  -5.509  12.697   9.008
  Start of MODEL   13
    1    HA   PRO  25           HA       PRO  25  10.746  14.877   7.103
    2    HB2  PRO  25           2HB      PRO  25  10.039  13.983   4.272
    3    HB3  PRO  25           3HB      PRO  25  11.539  14.791   4.833
    4    HG2  PRO  25           2HG      PRO  25  11.112  11.997   4.667
    5    HG3  PRO  25           3HG      PRO  25  12.362  12.765   5.682
    6    HD2  PRO  25           2HD      PRO  25  10.143  11.287   6.656
    7    HD3  PRO  25           3HD      PRO  25  11.217  12.352   7.585
    8    H    ALA  26           H        ALA  26   9.360  15.953   4.248
    9    HA   ALA  26           HA       ALA  26   7.775  18.071   5.212
   10    HB1  ALA  26           1HB      ALA  26   8.630  17.850   2.893
   11    HB2  ALA  26           2HB      ALA  26   7.545  16.467   2.620
   12    HB3  ALA  26           3HB      ALA  26   6.869  18.084   2.900
   13    H    LYS  27           H        LYS  27   6.916  14.794   4.414
   14    HA   LYS  27           HA       LYS  27   4.679  14.720   6.332
   15    HB2  LYS  27           2HB      LYS  27   4.419  14.327   3.376
   16    HB3  LYS  27           3HB      LYS  27   3.930  12.915   4.257
   17    HG2  LYS  27           2HG      LYS  27   2.828  15.707   4.751
   18    HG3  LYS  27           3HG      LYS  27   2.105  14.447   3.754
   19    HD2  LYS  27           2HD      LYS  27   2.250  12.988   5.963
   20    HD3  LYS  27           3HD      LYS  27   2.343  14.553   6.770
   21    HE2  LYS  27           2HE      LYS  27   0.160  13.623   4.846
   22    HE3  LYS  27           3HE      LYS  27   0.024  13.623   6.597
   23    HZ1  LYS  27           3HZ      LYS  27  -0.987  15.596   5.554
   24    HZ2  LYS  27           1HZ      LYS  27   0.183  16.023   6.607
   25    HZ3  LYS  27           2HZ      LYS  27   0.435  16.087   4.973
   26    H    ARG  28           H        ARG  28   4.301  12.444   6.914
   27    HA   ARG  28           HA       ARG  28   5.915  10.306   5.861
   28    HE   ARG  28           HE       ARG  28   6.969   8.206   9.645
   29    HB2  ARG  28           2HB      ARG  28   7.013   9.547   7.814
   30    HB3  ARG  28           3HB      ARG  28   7.647  11.091   7.352
   31    HG2  ARG  28           2HG      ARG  28   6.943  12.174   9.242
   32    HG3  ARG  28           3HG      ARG  28   5.478  11.214   9.430
   33    HD2  ARG  28           2HD      ARG  28   8.288  10.164   9.849
   34    HD3  ARG  28           3HD      ARG  28   7.262  10.751  11.172
   35   HH11  ARG  28          1HH1      ARG  28   5.242  10.335  11.903
   36   HH12  ARG  28          2HH1      ARG  28   3.969   9.123  12.080
   37   HH21  ARG  28          2HH2      ARG  28   5.218   6.859   9.964
   38   HH22  ARG  28          1HH2      ARG  28   3.998   7.346  11.145
   39    H    TYR  29           H        TYR  29   3.471  10.603   5.531
   40    HA   TYR  29           HA       TYR  29   1.578   9.904   7.535
   41    HD1  TYR  29           HD2      TYR  29   0.256   7.409   4.799
   42    HD2  TYR  29           HD1      TYR  29   2.404  10.804   3.191
   43    HE1  TYR  29           HE2      TYR  29   0.759   6.111   2.750
   44    HE2  TYR  29           HE1      TYR  29   2.681   9.612   1.109
   45    HH   TYR  29           HH       TYR  29   1.601   6.165   0.672
   46    HB2  TYR  29           2HB      TYR  29   0.061   9.756   5.693
   47    HB3  TYR  29           3HB      TYR  29   1.188  10.998   5.262
   48    H    ARG  30           H        ARG  30   0.197   7.854   7.432
   49    HA   ARG  30           HA       ARG  30   1.643   5.464   6.516
   50    HE   ARG  30           HE       ARG  30   4.077   4.392   8.529
   51    HB2  ARG  30           2HB      ARG  30   2.555   5.704   8.776
   52    HB3  ARG  30           3HB      ARG  30   0.933   5.809   9.396
   53    HG2  ARG  30           2HG      ARG  30   1.645   3.638   9.917
   54    HG3  ARG  30           3HG      ARG  30   0.457   3.471   8.634
   55    HD2  ARG  30           2HD      ARG  30   2.303   1.997   8.241
   56    HD3  ARG  30           3HD      ARG  30   2.296   3.226   6.988
   57   HH11  ARG  30          1HH2      ARG  30   4.038   1.000   7.771
   58   HH12  ARG  30          2HH2      ARG  30   5.539   0.688   8.618
   59   HH21  ARG  30          1HH1      ARG  30   6.018   4.078   9.212
   60   HH22  ARG  30          2HH1      ARG  30   6.730   2.464   9.316
   61    H    ILE  31           H        ILE  31   0.189   4.694   5.224
   62    HA   ILE  31           HA       ILE  31  -2.661   4.522   6.064
   63    HB   ILE  31           HB       ILE  31  -3.164   3.632   3.860
   64   HG12  ILE  31          2HG1      ILE  31  -0.246   4.000   3.132
   65   HG13  ILE  31          3HG1      ILE  31  -1.009   2.435   3.467
   66   HG21  ILE  31          1HG2      ILE  31  -3.143   6.063   4.220
   67   HG22  ILE  31          2HG2      ILE  31  -1.476   6.140   3.625
   68   HG23  ILE  31          3HG2      ILE  31  -2.786   5.629   2.548
   69   HD11  ILE  31          3HD1      ILE  31  -1.654   4.290   1.161
   70   HD12  ILE  31          1HD1      ILE  31  -0.922   2.683   1.104
   71   HD13  ILE  31          2HD1      ILE  31  -2.620   2.855   1.603
   72    H    THR  32           H        THR  32  -3.740   2.639   5.947
   73    HA   THR  32           HA       THR  32  -2.270   0.064   6.401
   74    HB   THR  32           HB       THR  32  -4.969   1.087   7.383
   75    HG1  THR  32           1HG      THR  32  -3.980   1.099   9.360
   76   HG21  THR  32          1HG2      THR  32  -5.258  -1.288   7.003
   77   HG22  THR  32          2HG2      THR  32  -3.692  -1.679   7.734
   78   HG23  THR  32          3HG2      THR  32  -5.032  -1.075   8.739
   79    H    MET  33           H        MET  33  -2.946  -1.670   5.301
   80    HA   MET  33           HA       MET  33  -5.139  -1.428   3.379
   81    HB2  MET  33           2HB      MET  33  -2.397  -2.596   2.656
   82    HB3  MET  33           3HB      MET  33  -3.746  -2.294   1.579
   83    HG2  MET  33           2HG      MET  33  -3.331   0.234   2.466
   84    HG3  MET  33           3HG      MET  33  -1.747  -0.461   2.783
   85    HE1  MET  33           3HE      MET  33  -2.319  -2.363  -0.218
   86    HE2  MET  33           1HE      MET  33  -1.053  -1.509  -1.130
   87    HE3  MET  33           2HE      MET  33  -0.739  -2.029   0.540
   88    H    LYS  34           H        LYS  34  -6.420  -3.130   3.401
   89    HA   LYS  34           HA       LYS  34  -5.558  -5.899   3.933
   90    HB2  LYS  34           2HB      LYS  34  -7.671  -5.686   5.815
   91    HB3  LYS  34           3HB      LYS  34  -6.134  -5.998   6.032
   92    HG2  LYS  34           2HG      LYS  34  -6.874  -4.292   7.588
   93    HG3  LYS  34           3HG      LYS  34  -5.921  -3.338   6.431
   94    HD2  LYS  34           2HD      LYS  34  -8.034  -2.864   5.150
   95    HD3  LYS  34           3HD      LYS  34  -8.937  -3.892   6.259
   96    HE2  LYS  34           2HE      LYS  34  -8.472  -2.393   8.135
   97    HE3  LYS  34           3HE      LYS  34  -7.514  -1.337   7.077
   98    HZ1  LYS  34           3HZ      LYS  34 -10.398  -1.927   6.622
   99    HZ2  LYS  34           1HZ      LYS  34  -9.819  -0.548   7.317
  100    HZ3  LYS  34           2HZ      LYS  34  -9.446  -0.834   5.807
  101    H    ASN  35           H        ASN  35  -7.373  -7.417   3.954
  102    HA   ASN  35           HA       ASN  35  -9.766  -6.316   4.468
  103    HB2  ASN  35           2HB      ASN  35 -10.281  -5.457   2.515
  104    HB3  ASN  35           3HB      ASN  35  -9.377  -6.573   1.547
  105   HD21  ASN  35          2HD2      ASN  35 -10.592  -7.634   0.168
  106   HD22  ASN  35          1HD2      ASN  35 -12.267  -8.133   0.408
  107    H    LEU  36           H        LEU  36  -8.827  -9.287   2.714
  108    HA   LEU  36           HA       LEU  36  -9.108 -11.038   4.764
  109    HG   LEU  36           HG       LEU  36 -10.675 -12.957   5.316
  110    HB2  LEU  36           2HB      LEU  36 -11.769 -10.297   4.299
  111    HB3  LEU  36           3HB      LEU  36 -11.601 -11.718   3.301
  112   HD11  LEU  36          1HD1      LEU  36 -11.735 -10.520   6.818
  113   HD12  LEU  36          2HD1      LEU  36 -11.201 -12.050   7.550
  114   HD13  LEU  36          3HD1      LEU  36 -10.035 -11.006   6.730
  115   HD21  LEU  36          3HD2      LEU  36 -13.005 -13.195   4.558
  116   HD22  LEU  36          1HD2      LEU  36 -12.909 -13.263   6.327
  117   HD23  LEU  36          2HD2      LEU  36 -13.480 -11.780   5.527
  118    HA   PRO  37           HA       PRO  37  -9.489 -13.526   0.624
  119    HB2  PRO  37           2HB      PRO  37  -9.096 -11.284  -1.347
  120    HB3  PRO  37           3HB      PRO  37 -10.057 -12.789  -1.544
  121    HG2  PRO  37           2HG      PRO  37 -11.323 -10.487  -0.994
  122    HG3  PRO  37           3HG      PRO  37 -11.745 -11.939  -0.023
  123    HD2  PRO  37           2HD      PRO  37  -9.756  -9.746   0.664
  124    HD3  PRO  37           3HD      PRO  37 -11.134 -10.343   1.626
  125    H    GLU  38           H        GLU  38  -7.028 -11.230   1.399
  126    HA   GLU  38           HA       GLU  38  -5.014 -12.800  -0.075
  127    HB2  GLU  38           2HB      GLU  38  -3.701 -10.586   0.065
  128    HB3  GLU  38           3HB      GLU  38  -4.950 -10.780  -1.140
  129    HG2  GLU  38           2HG      GLU  38  -4.779  -8.542   0.038
  130    HG3  GLU  38           3HG      GLU  38  -6.379  -9.248  -0.185
  131    H    GLY  39           H        GLY  39  -5.454 -11.455   3.065
  132    HA2  GLY  39           2HA      GLY  39  -4.107 -11.468   4.763
  133    HA3  GLY  39           3HA      GLY  39  -3.666 -13.157   4.432
  134    H    CYS  40           H        CYS  40  -3.046  -9.996   2.854
  135    HA   CYS  40           HA       CYS  40  -0.752 -10.775   1.506
  136    HG   CYS  40           HG       CYS  40  -3.144  -8.073   2.991
  137    HB2  CYS  40           2HB      CYS  40  -0.503  -8.376   1.006
  138    HB3  CYS  40           3HB      CYS  40  -2.159  -8.953   0.820
  139    H    SER  41           H        SER  41   1.439 -10.444   1.596
  140    HA   SER  41           HA       SER  41   2.712  -9.492   4.124
  141    HG   SER  41           HG       SER  41   3.205 -11.851   4.527
  142    HB2  SER  41           2HB      SER  41   3.814 -11.142   1.825
  143    HB3  SER  41           3HB      SER  41   4.705 -10.674   3.274
  144    H    TRP  42           H        TRP  42   4.951  -8.312   3.592
  145    HA   TRP  42           HA       TRP  42   4.347  -6.054   2.029
  146    HD1  TRP  42           HD1      TRP  42   8.974  -5.186   2.721
  147    HE1  TRP  42           HE1      TRP  42   9.310  -2.965   1.496
  148    HE3  TRP  42           HE3      TRP  42   4.102  -4.197   1.375
  149    HZ2  TRP  42           HZ2      TRP  42   7.751  -1.235  -0.209
  150    HZ3  TRP  42           HZ3      TRP  42   3.604  -2.381  -0.178
  151    HH2  TRP  42           HH2      TRP  42   5.384  -0.920  -1.017
  152    HB2  TRP  42           2HB      TRP  42   6.071  -6.064   3.785
  153    HB3  TRP  42           3HB      TRP  42   7.117  -7.007   2.772
  154    H    GLN  43           H        GLN  43   5.809  -9.096   0.975
  155    HA   GLN  43           HA       GLN  43   6.622  -7.965  -1.513
  156    HB2  GLN  43           2HB      GLN  43   5.875 -10.889  -1.185
  157    HB3  GLN  43           3HB      GLN  43   7.084 -10.210  -2.275
  158    HG2  GLN  43           2HG      GLN  43   7.276 -10.410   0.756
  159    HG3  GLN  43           3HG      GLN  43   8.023 -11.485  -0.401
  160   HE21  GLN  43          2HE2      GLN  43  10.240 -11.078   0.073
  161   HE22  GLN  43          1HE2      GLN  43  10.960  -9.491  -0.159
  162    H    ASP  44           H        ASP  44   3.613  -9.114  -0.397
  163    HA   ASP  44           HA       ASP  44   2.459  -9.618  -3.028
  164    HB2  ASP  44           2HB      ASP  44   1.348  -9.301  -0.203
  165    HB3  ASP  44           3HB      ASP  44   0.389  -9.532  -1.602
  166    H    LEU  45           H        LEU  45   2.203  -7.218  -0.434
  167    HA   LEU  45           HA       LEU  45   0.501  -5.398  -1.808
  168    HG   LEU  45           HG       LEU  45   0.406  -6.434   1.104
  169    HB2  LEU  45           2HB      LEU  45   2.429  -5.322   0.555
  170    HB3  LEU  45           3HB      LEU  45   1.608  -3.868   0.061
  171   HD11  LEU  45          1HD1      LEU  45   0.406  -3.502   1.969
  172   HD12  LEU  45          2HD1      LEU  45  -0.400  -4.846   2.844
  173   HD13  LEU  45          3HD1      LEU  45   1.373  -4.813   2.662
  174   HD21  LEU  45          3HD2      LEU  45  -1.249  -5.910  -0.471
  175   HD22  LEU  45          1HD2      LEU  45  -1.817  -5.000   0.925
  176   HD23  LEU  45          2HD2      LEU  45  -0.938  -4.176  -0.382
  177    H    LYS  46           H        LYS  46   4.040  -5.424  -1.465
  178    HA   LYS  46           HA       LYS  46   4.677  -3.078  -3.059
  179    HB2  LYS  46           2HB      LYS  46   6.202  -4.352  -1.637
  180    HB3  LYS  46           3HB      LYS  46   6.086  -5.747  -2.756
  181    HG2  LYS  46           2HG      LYS  46   6.947  -4.218  -4.571
  182    HG3  LYS  46           3HG      LYS  46   7.180  -2.968  -3.333
  183    HD2  LYS  46           2HD      LYS  46   8.546  -5.693  -3.522
  184    HD3  LYS  46           3HD      LYS  46   9.184  -4.078  -3.831
  185    HE2  LYS  46           2HE      LYS  46  10.075  -4.634  -1.721
  186    HE3  LYS  46           3HE      LYS  46   8.741  -3.536  -1.371
  187    HZ1  LYS  46           3HZ      LYS  46   7.388  -5.551  -0.834
  188    HZ2  LYS  46           1HZ      LYS  46   8.699  -6.517  -1.082
  189    HZ3  LYS  46           2HZ      LYS  46   8.697  -5.422   0.112
  190    H    ASP  47           H        ASP  47   4.311  -6.534  -4.135
  191    HA   ASP  47           HA       ASP  47   4.713  -5.714  -6.819
  192    HB2  ASP  47           2HB      ASP  47   4.453  -8.151  -5.642
  193    HB3  ASP  47           3HB      ASP  47   2.817  -8.013  -6.178
  194    H    LEU  48           H        LEU  48   1.569  -6.090  -5.129
  195    HA   LEU  48           HA       LEU  48   0.195  -5.181  -7.439
  196    HG   LEU  48           HG       LEU  48  -2.132  -4.214  -7.124
  197    HB2  LEU  48           2HB      LEU  48  -1.117  -6.196  -5.737
  198    HB3  LEU  48           3HB      LEU  48  -0.671  -4.989  -4.534
  199   HD11  LEU  48          1HD1      LEU  48  -3.571  -5.795  -6.055
  200   HD12  LEU  48          2HD1      LEU  48  -3.384  -4.978  -4.453
  201   HD13  LEU  48          3HD1      LEU  48  -4.241  -4.194  -5.787
  202   HD21  LEU  48          3HD2      LEU  48  -3.043  -2.453  -5.495
  203   HD22  LEU  48          1HD2      LEU  48  -1.651  -2.910  -4.478
  204   HD23  LEU  48          2HD2      LEU  48  -1.447  -2.285  -6.153
  205    H    ALA  49           H        ALA  49   1.570  -3.261  -4.698
  206    HA   ALA  49           HA       ALA  49   0.717  -0.768  -5.680
  207    HB1  ALA  49           1HB      ALA  49   3.051  -1.725  -4.011
  208    HB2  ALA  49           2HB      ALA  49   2.835  -0.021  -4.374
  209    HB3  ALA  49           3HB      ALA  49   1.548  -0.904  -3.505
  210    H    ARG  50           H        ARG  50   3.450  -2.750  -6.748
  211    HA   ARG  50           HA       ARG  50   4.484  -0.715  -8.556
  212    HE   ARG  50           HE       ARG  50   7.565  -0.845  -4.736
  213    HB2  ARG  50           2HB      ARG  50   5.170  -3.645  -8.646
  214    HB3  ARG  50           3HB      ARG  50   6.096  -2.282  -9.242
  215    HG2  ARG  50           2HG      ARG  50   6.019  -3.506  -6.601
  216    HG3  ARG  50           3HG      ARG  50   7.303  -2.666  -7.308
  217    HD2  ARG  50           2HD      ARG  50   5.343  -0.715  -6.510
  218    HD3  ARG  50           3HD      ARG  50   5.586  -1.826  -5.202
  219   HH11  ARG  50          2HH2      ARG  50   7.118  -0.118  -8.157
  220   HH12  ARG  50          1HH2      ARG  50   8.158   1.299  -8.006
  221   HH21  ARG  50          1HH1      ARG  50   8.707   1.093  -4.749
  222   HH22  ARG  50          2HH1      ARG  50   9.052   1.832  -6.293
  223    H    GLU  51           H        GLU  51   2.023  -3.176  -8.781
  224    HA   GLU  51           HA       GLU  51   1.466  -2.997 -11.623
  225    HB2  GLU  51           2HB      GLU  51  -0.555  -3.490  -9.407
  226    HB3  GLU  51           3HB      GLU  51  -0.858  -3.639 -11.035
  227    HG2  GLU  51           2HG      GLU  51   1.434  -5.145  -9.773
  228    HG3  GLU  51           3HG      GLU  51  -0.107  -5.720  -9.423
  229    H    ASN  52           H        ASN  52   0.516  -1.235  -8.835
  230    HA   ASN  52           HA       ASN  52  -1.458   0.449 -10.206
  231    HB2  ASN  52           2HB      ASN  52  -0.776  -0.524  -7.434
  232    HB3  ASN  52           3HB      ASN  52  -1.632   0.933  -7.548
  233   HD21  ASN  52          2HD2      ASN  52  -1.768  -2.458  -8.388
  234   HD22  ASN  52          1HD2      ASN  52  -3.529  -2.500  -8.463
  235    H    SER  53           H        SER  53   1.803   0.823  -9.378
  236    HA   SER  53           HA       SER  53   3.250   2.524  -9.798
  237    HG   SER  53           HG       SER  53   1.404   2.227 -11.993
  238    HB2  SER  53           2HB      SER  53   0.897   4.177 -10.788
  239    HB3  SER  53           3HB      SER  53   2.614   4.582 -10.944
  240    H    LEU  54           H        LEU  54   1.981   1.990  -7.346
  241    HA   LEU  54           HA       LEU  54   1.457   4.343  -5.763
  242    HG   LEU  54           HG       LEU  54   0.016   1.420  -4.122
  243    HB2  LEU  54           2HB      LEU  54   1.609   1.464  -5.523
  244    HB3  LEU  54           3HB      LEU  54   2.585   2.107  -4.248
  245   HD11  LEU  54          1HD1      LEU  54  -0.170   2.631  -2.005
  246   HD12  LEU  54          2HD1      LEU  54   1.445   1.972  -2.186
  247   HD13  LEU  54          3HD1      LEU  54   1.167   3.705  -2.482
  248   HD21  LEU  54          3HD2      LEU  54  -0.735   3.232  -5.671
  249   HD22  LEU  54          1HD2      LEU  54  -1.518   3.202  -4.085
  250   HD23  LEU  54          2HD2      LEU  54  -0.277   4.421  -4.419
  251    H    GLU  55           H        GLU  55   4.427   2.794  -6.811
  252    HA   GLU  55           HA       GLU  55   6.546   2.845  -6.260
  253    HB2  GLU  55           2HB      GLU  55   5.946   5.075  -7.336
  254    HB3  GLU  55           3HB      GLU  55   6.097   5.770  -5.728
  255    HG2  GLU  55           2HG      GLU  55   8.088   6.120  -6.739
  256    HG3  GLU  55           3HG      GLU  55   8.454   4.771  -5.660
  257    H    THR  56           H        THR  56   5.349   4.994  -3.947
  258    HA   THR  56           HA       THR  56   5.871   5.549  -1.786
  259    HB   THR  56           HB       THR  56   5.195   4.022  -0.181
  260    HG1  THR  56           1HG      THR  56   5.976   2.050  -2.064
  261   HG21  THR  56          1HG2      THR  56   3.413   4.557  -1.786
  262   HG22  THR  56          2HG2      THR  56   3.790   3.068  -2.674
  263   HG23  THR  56          3HG2      THR  56   3.195   3.003  -1.011
  264    H    THR  57           H        THR  57   7.105   4.358   0.378
  265    HA   THR  57           HA       THR  57   9.991   4.018  -0.412
  266    HB   THR  57           HB       THR  57   8.924   4.556   2.370
  267    HG1  THR  57           1HG      THR  57   9.956   6.478   0.547
  268   HG21  THR  57          1HG2      THR  57  11.672   4.928   1.139
  269   HG22  THR  57          2HG2      THR  57  11.190   5.433   2.780
  270   HG23  THR  57          3HG2      THR  57  11.184   3.715   2.345
  271    H    PHE  58           H        PHE  58   7.473   2.942   1.913
  272    HA   PHE  58           HA       PHE  58   8.399   0.172   1.936
  273    HD1  PHE  58           HD2      PHE  58   8.872   3.858   4.363
  274    HD2  PHE  58           HD1      PHE  58   8.749  -0.134   5.999
  275    HE1  PHE  58           HE2      PHE  58   8.772   4.792   6.652
  276    HE2  PHE  58           HE1      PHE  58   8.571   0.809   8.279
  277    HZ   PHE  58           HZ       PHE  58   8.670   3.283   8.609
  278    HB2  PHE  58           2HB      PHE  58   9.563   0.207   3.835
  279    HB3  PHE  58           3HB      PHE  58  10.056   1.741   3.267
  280    H    SER  59           H        SER  59   7.316  -1.116   3.571
  281    HA   SER  59           HA       SER  59   4.926   0.056   4.850
  282    HG   SER  59           HG       SER  59   2.745  -2.603   3.882
  283    HB2  SER  59           2HB      SER  59   4.022  -1.069   2.884
  284    HB3  SER  59           3HB      SER  59   4.930  -2.490   3.251
  285    H    SER  60           H        SER  60   4.170  -1.232   6.571
  286    HA   SER  60           HA       SER  60   6.104  -3.131   7.878
  287    HG   SER  60           HG       SER  60   6.902  -1.557   9.590
  288    HB2  SER  60           2HB      SER  60   4.123  -1.154   9.030
  289    HB3  SER  60           3HB      SER  60   4.867  -2.459   9.991
  290    H    VAL  61           H        VAL  61   5.373  -5.098   7.413
  291    HA   VAL  61           HA       VAL  61   2.463  -5.729   7.572
  292    HB   VAL  61           HB       VAL  61   4.296  -7.045   5.538
  293   HG11  VAL  61          1HG1      VAL  61   2.049  -8.056   5.869
  294   HG12  VAL  61          2HG1      VAL  61   1.310  -6.475   5.553
  295   HG13  VAL  61          3HG1      VAL  61   2.143  -7.292   4.282
  296   HG21  VAL  61          3HG2      VAL  61   4.541  -4.740   4.879
  297   HG22  VAL  61          1HG2      VAL  61   3.340  -5.461   3.793
  298   HG23  VAL  61          2HG2      VAL  61   2.820  -4.443   5.138
  299    H    ASN  62           H        ASN  62   1.950  -7.904   8.034
  300    HA   ASN  62           HA       ASN  62   2.129 -10.039   8.709
  301    HB2  ASN  62           2HB      ASN  62   5.152  -9.790   8.688
  302    HB3  ASN  62           3HB      ASN  62   4.219 -11.273   8.710
  303   HD21  ASN  62          1HD2      ASN  62   5.854  -9.112   6.703
  304   HD22  ASN  62          2HD2      ASN  62   5.333  -9.881   5.220
  305    H    THR  63           H        THR  63   2.436  -7.584  10.635
  306    HA   THR  63           HA       THR  63   3.833  -8.163  12.953
  307    HB   THR  63           HB       THR  63   1.050  -6.942  12.867
  308    HG1  THR  63           1HG      THR  63   2.103  -5.030  12.392
  309   HG21  THR  63          1HG2      THR  63   1.944  -7.200  15.155
  310   HG22  THR  63          2HG2      THR  63   3.463  -6.414  14.661
  311   HG23  THR  63          3HG2      THR  63   1.940  -5.496  14.684
  312    H    ARG  64           H        ARG  64   0.613  -9.255  12.123
  313    HA   ARG  64           HA       ARG  64   0.719 -11.855  12.866
  314    HE   ARG  64           HE       ARG  64  -2.831 -13.377  15.342
  315    HB2  ARG  64           2HB      ARG  64   0.556 -10.732  15.367
  316    HB3  ARG  64           3HB      ARG  64  -1.149 -10.784  14.983
  317    HG2  ARG  64           2HG      ARG  64   0.835 -13.066  15.136
  318    HG3  ARG  64           3HG      ARG  64  -0.547 -12.792  16.174
  319    HD2  ARG  64           2HD      ARG  64  -0.699 -13.624  13.238
  320    HD3  ARG  64           3HD      ARG  64  -0.749 -14.715  14.597
  321   HH11  ARG  64          1HH1      ARG  64  -2.233 -13.674  11.926
  322   HH12  ARG  64          2HH1      ARG  64  -3.873 -14.167  11.599
  323   HH21  ARG  64          1HH2      ARG  64  -4.954 -13.831  14.769
  324   HH22  ARG  64          2HH2      ARG  64  -5.330 -14.152  13.103
  325    H    ASP  65           H        ASP  65  -1.494  -9.137  13.268
  326    HA   ASP  65           HA       ASP  65  -3.306  -8.372  12.104
  327    HB2  ASP  65           2HB      ASP  65  -2.192 -10.164   9.911
  328    HB3  ASP  65           3HB      ASP  65  -3.314  -8.849   9.688
  329    H    PHE  66           H        PHE  66  -5.133  -9.417  10.285
  330    HA   PHE  66           HA       PHE  66  -6.633 -11.434  11.766
  331    HD1  PHE  66           HD1      PHE  66  -7.733 -12.800   8.161
  332    HD2  PHE  66           HD2      PHE  66  -6.433  -8.697   8.232
  333    HE1  PHE  66           HE1      PHE  66  -7.334 -12.888   5.714
  334    HE2  PHE  66           HE2      PHE  66  -6.014  -8.796   5.770
  335    HZ   PHE  66           HZ       PHE  66  -6.518 -10.864   4.503
  336    HB2  PHE  66           2HB      PHE  66  -8.230 -11.257  10.096
  337    HB3  PHE  66           3HB      PHE  66  -7.530  -9.648  10.150
  338    H    ASP  67           H        ASP  67  -4.535 -11.347   8.977
  339    HA   ASP  67           HA       ASP  67  -3.309 -13.924   9.430
  340    HB2  ASP  67           2HB      ASP  67  -5.384 -14.519   8.065
  341    HB3  ASP  67           3HB      ASP  67  -4.749 -13.496   6.778
  342    H    GLY  68           H        GLY  68  -3.835 -11.086   7.336
  343    HA2  GLY  68           2HA      GLY  68  -1.162 -10.145   7.749
  344    HA3  GLY  68           3HA      GLY  68  -1.339 -10.766   6.113
  345    H    THR  69           H        THR  69  -1.466  -8.029   7.878
  346    HA   THR  69           HA       THR  69  -2.863  -6.537   5.711
  347    HB   THR  69           HB       THR  69  -3.842  -4.967   7.003
  348    HG1  THR  69           1HG      THR  69  -2.387  -5.846   9.271
  349   HG21  THR  69          1HG2      THR  69  -4.302  -7.149   9.013
  350   HG22  THR  69          2HG2      THR  69  -5.412  -5.934   8.407
  351   HG23  THR  69          3HG2      THR  69  -4.916  -7.280   7.355
  352    H    GLY  70           H        GLY  70  -1.811  -4.510   5.250
  353    HA2  GLY  70           2HA      GLY  70   0.937  -4.229   6.459
  354    HA3  GLY  70           3HA      GLY  70   0.694  -4.134   4.723
  355    H    ALA  71           H        ALA  71   1.830  -2.160   6.436
  356    HA   ALA  71           HA       ALA  71  -0.099   0.031   5.903
  357    HB1  ALA  71           1HB      ALA  71  -0.233  -0.695   8.284
  358    HB2  ALA  71           2HB      ALA  71   1.504  -0.375   8.476
  359    HB3  ALA  71           3HB      ALA  71   0.367   0.954   8.138
  360    H    LEU  72           H        LEU  72   0.698   1.413   4.548
  361    HA   LEU  72           HA       LEU  72   3.565   1.304   3.780
  362    HG   LEU  72           HG       LEU  72   1.546   1.135   0.579
  363    HB2  LEU  72           2HB      LEU  72   1.079   2.356   2.521
  364    HB3  LEU  72           3HB      LEU  72   2.578   2.850   1.946
  365   HD11  LEU  72          1HD1      LEU  72   3.536  -0.075   0.119
  366   HD12  LEU  72          2HD1      LEU  72   3.876   1.611   0.467
  367   HD13  LEU  72          3HD1      LEU  72   4.260   0.439   1.671
  368   HD21  LEU  72          3HD2      LEU  72   1.638  -1.239   1.219
  369   HD22  LEU  72          1HD2      LEU  72   1.911  -0.729   2.898
  370   HD23  LEU  72          2HD2      LEU  72   0.426  -0.276   2.084
  371    H    GLU  73           H        GLU  73   4.737   3.129   3.555
  372    HA   GLU  73           HA       GLU  73   3.757   5.758   4.697
  373    HB2  GLU  73           2HB      GLU  73   4.832   4.597   6.425
  374    HB3  GLU  73           3HB      GLU  73   6.269   4.280   5.483
  375    HG2  GLU  73           2HG      GLU  73   7.077   6.446   5.703
  376    HG3  GLU  73           3HG      GLU  73   5.510   7.163   5.945
  377    H    PHE  74           H        PHE  74   4.639   7.670   3.841
  378    HA   PHE  74           HA       PHE  74   6.930   7.565   2.027
  379    HD1  PHE  74           HD2      PHE  74   7.133   6.602  -0.018
  380    HD2  PHE  74           HD1      PHE  74   5.156  10.280  -0.854
  381    HE1  PHE  74           HE2      PHE  74   8.762   7.038  -1.872
  382    HE2  PHE  74           HE1      PHE  74   6.820  10.804  -2.621
  383    HZ   PHE  74           HZ       PHE  74   8.618   9.163  -3.151
  384    HB2  PHE  74           2HB      PHE  74   4.393   7.436   0.769
  385    HB3  PHE  74           3HB      PHE  74   4.617   9.125   0.997
  386    HA   PRO  75           HA       PRO  75   7.404  11.818   3.487
  387    HB2  PRO  75           2HB      PRO  75   9.026  12.912   1.517
  388    HB3  PRO  75           3HB      PRO  75   9.567  11.853   2.856
  389    HG2  PRO  75           2HG      PRO  75   8.812  11.038   0.031
  390    HG3  PRO  75           3HG      PRO  75  10.301  10.616   0.947
  391    HD2  PRO  75           2HD      PRO  75   8.293   8.890   0.884
  392    HD3  PRO  75           3HD      PRO  75   9.081   9.205   2.435
  393    H    SER  76           H        SER  76   5.503  11.177   0.675
  394    HA   SER  76           HA       SER  76   4.426  13.990   0.712
  395    HG   SER  76           HG       SER  76   5.600  14.762  -1.977
  396    HB2  SER  76           2HB      SER  76   4.889  12.202  -1.648
  397    HB3  SER  76           3HB      SER  76   3.925  13.600  -1.700
  398    H    GLU  77           H        GLU  77   2.472  13.966   1.414
  399    HA   GLU  77           HA       GLU  77   0.699  11.795   1.370
  400    HB2  GLU  77           2HB      GLU  77  -1.084  13.486   1.809
  401    HB3  GLU  77           3HB      GLU  77   0.320  13.611   2.858
  402    HG2  GLU  77           2HG      GLU  77   1.157  15.417   1.143
  403    HG3  GLU  77           3HG      GLU  77  -0.513  15.405   0.559
  404    H    GLU  78           H        GLU  78   1.625  13.762  -1.295
  405    HA   GLU  78           HA       GLU  78  -0.505  13.392  -3.103
  406    HB2  GLU  78           2HB      GLU  78   2.492  13.043  -3.616
  407    HB3  GLU  78           3HB      GLU  78   1.245  13.292  -4.831
  408    HG2  GLU  78           2HG      GLU  78   1.862  15.468  -4.664
  409    HG3  GLU  78           3HG      GLU  78   0.729  15.455  -3.305
  410    H    ILE  79           H        ILE  79   1.953  11.011  -2.100
  411    HA   ILE  79           HA       ILE  79   0.911   8.861  -3.742
  412    HB   ILE  79           HB       ILE  79   2.898   8.805  -1.434
  413   HG12  ILE  79          2HG1      ILE  79   3.086   9.700  -4.252
  414   HG13  ILE  79          3HG1      ILE  79   4.024  10.150  -2.892
  415   HG21  ILE  79          1HG2      ILE  79   3.659   6.667  -2.377
  416   HG22  ILE  79          2HG2      ILE  79   1.979   6.560  -1.906
  417   HG23  ILE  79          3HG2      ILE  79   2.371   6.765  -3.619
  418   HD11  ILE  79          3HD1      ILE  79   4.364   7.726  -4.724
  419   HD12  ILE  79          1HD1      ILE  79   5.445   9.114  -4.556
  420   HD13  ILE  79          2HD1      ILE  79   5.319   7.929  -3.239
  421    H    LEU  80           H        LEU  80   0.435   9.875  -0.393
  422    HA   LEU  80           HA       LEU  80  -0.989   7.643   0.582
  423    HG   LEU  80           HG       LEU  80  -3.272  10.215   1.592
  424    HB2  LEU  80           2HB      LEU  80  -0.415   9.228   2.163
  425    HB3  LEU  80           3HB      LEU  80  -0.888  10.568   1.179
  426   HD11  LEU  80          1HD1      LEU  80  -2.397   8.314   3.772
  427   HD12  LEU  80          2HD1      LEU  80  -4.041   8.853   3.388
  428   HD13  LEU  80          3HD1      LEU  80  -3.175   7.808   2.244
  429   HD21  LEU  80          3HD2      LEU  80  -2.043  11.829   2.901
  430   HD22  LEU  80          1HD2      LEU  80  -3.249  11.002   3.899
  431   HD23  LEU  80          2HD2      LEU  80  -1.538  10.552   4.039
  432    H    VAL  81           H        VAL  81  -2.143  10.629  -1.033
  433    HA   VAL  81           HA       VAL  81  -4.964   9.893  -0.889
  434    HB   VAL  81           HB       VAL  81  -3.454  12.057  -2.464
  435   HG11  VAL  81          1HG1      VAL  81  -5.598  11.695  -3.606
  436   HG12  VAL  81          2HG1      VAL  81  -6.471  11.766  -2.057
  437   HG13  VAL  81          3HG1      VAL  81  -5.666  13.210  -2.710
  438   HG21  VAL  81          3HG2      VAL  81  -3.406  12.341   0.008
  439   HG22  VAL  81          1HG2      VAL  81  -4.340  13.612  -0.777
  440   HG23  VAL  81          2HG2      VAL  81  -5.178  12.273   0.044
  441    H    GLU  82           H        GLU  82  -2.438   9.697  -3.350
  442    HA   GLU  82           HA       GLU  82  -3.899   8.675  -5.483
  443    HB2  GLU  82           2HB      GLU  82  -1.192   8.620  -4.237
  444    HB3  GLU  82           3HB      GLU  82  -1.519   7.260  -5.135
  445    HG2  GLU  82           2HG      GLU  82  -1.583  10.153  -6.015
  446    HG3  GLU  82           3HG      GLU  82  -0.296   9.005  -6.382
  447    H    ALA  83           H        ALA  83  -2.139   6.640  -3.040
  448    HA   ALA  83           HA       ALA  83  -3.416   4.183  -3.627
  449    HB1  ALA  83           1HB      ALA  83  -1.395   4.621  -2.179
  450    HB2  ALA  83           2HB      ALA  83  -2.487   5.120  -0.878
  451    HB3  ALA  83           3HB      ALA  83  -2.552   3.450  -1.502
  452    H    LEU  84           H        LEU  84  -4.672   6.644  -1.413
  453    HA   LEU  84           HA       LEU  84  -6.889   5.026  -0.357
  454    HG   LEU  84           HG       LEU  84  -5.113   7.878   1.091
  455    HB2  LEU  84           2HB      LEU  84  -6.600   8.070  -0.550
  456    HB3  LEU  84           3HB      LEU  84  -7.872   7.267   0.252
  457   HD11  LEU  84          1HD1      LEU  84  -7.078   9.016   1.941
  458   HD12  LEU  84          2HD1      LEU  84  -7.720   7.478   2.576
  459   HD13  LEU  84          3HD1      LEU  84  -6.219   8.165   3.237
  460   HD21  LEU  84          3HD2      LEU  84  -4.853   5.512   1.158
  461   HD22  LEU  84          1HD2      LEU  84  -5.171   6.083   2.819
  462   HD23  LEU  84          2HD2      LEU  84  -6.478   5.302   1.826
  463    H    GLU  85           H        GLU  85  -6.448   7.043  -3.236
  464    HA   GLU  85           HA       GLU  85  -9.228   6.425  -3.965
  465    HB2  GLU  85           2HB      GLU  85  -7.175   8.330  -5.167
  466    HB3  GLU  85           3HB      GLU  85  -8.801   8.095  -5.822
  467    HG2  GLU  85           2HG      GLU  85  -9.786   8.800  -3.656
  468    HG3  GLU  85           3HG      GLU  85  -8.178   9.170  -3.039
  469    H    ARG  86           H        ARG  86  -6.230   4.924  -4.444
  470    HA   ARG  86           HA       ARG  86  -6.824   3.993  -7.223
  471    HE   ARG  86           HE       ARG  86  -3.879   7.596  -8.827
  472    HB2  ARG  86           2HB      ARG  86  -4.357   4.818  -5.726
  473    HB3  ARG  86           3HB      ARG  86  -4.148   3.441  -6.569
  474    HG2  ARG  86           2HG      ARG  86  -3.477   5.258  -7.969
  475    HG3  ARG  86           3HG      ARG  86  -4.953   4.610  -8.705
  476    HD2  ARG  86           2HD      ARG  86  -6.339   6.327  -7.694
  477    HD3  ARG  86           3HD      ARG  86  -4.982   6.906  -6.717
  478   HH11  ARG  86          2HH1      ARG  86  -7.372   7.808  -8.423
  479   HH12  ARG  86          1HH1      ARG  86  -7.414   9.455  -8.981
  480   HH21  ARG  86          1HH2      ARG  86  -4.012   9.702  -9.295
  481   HH22  ARG  86          2HH2      ARG  86  -5.554  10.477  -9.586
  482    H    LEU  87           H        LEU  87  -6.137   2.895  -3.928
  483    HA   LEU  87           HA       LEU  87  -6.439   0.100  -4.770
  484    HG   LEU  87           HG       LEU  87  -4.179  -0.485  -4.892
  485    HB2  LEU  87           2HB      LEU  87  -4.651   1.468  -2.726
  486    HB3  LEU  87           3HB      LEU  87  -5.073  -0.184  -2.616
  487   HD11  LEU  87          1HD1      LEU  87  -3.553   2.329  -4.753
  488   HD12  LEU  87          2HD1      LEU  87  -2.367   1.248  -5.520
  489   HD13  LEU  87          3HD1      LEU  87  -4.033   1.233  -6.101
  490   HD21  LEU  87          3HD2      LEU  87  -2.830  -1.091  -2.907
  491   HD22  LEU  87          1HD2      LEU  87  -1.797  -0.500  -4.210
  492   HD23  LEU  87          2HD2      LEU  87  -2.193   0.571  -2.842
  493    H    ASN  88           H        ASN  88  -8.275   2.467  -3.264
  494    HA   ASN  88           HA       ASN  88  -9.047   0.834  -0.996
  495    HB2  ASN  88           2HB      ASN  88  -9.068   3.285  -0.850
  496    HB3  ASN  88           3HB      ASN  88 -10.448   3.320  -1.966
  497   HD21  ASN  88          1HD2      ASN  88 -12.006   4.020  -0.445
  498   HD22  ASN  88          2HD2      ASN  88 -12.450   3.077   0.962
  499    H    ASN  89           H        ASN  89 -10.101  -0.954  -1.256
  500    HA   ASN  89           HA       ASN  89 -11.473  -2.560  -1.822
  501    HB2  ASN  89           2HB      ASN  89 -13.090  -0.740  -0.898
  502    HB3  ASN  89           3HB      ASN  89 -13.708  -0.704  -2.556
  503   HD21  ASN  89          1HD2      ASN  89 -12.877  -2.925   0.176
  504   HD22  ASN  89          2HD2      ASN  89 -14.155  -4.071  -0.200
  505    H    ILE  90           H        ILE  90  -9.635  -2.236  -3.550
  506    HA   ILE  90           HA       ILE  90 -10.783  -2.452  -6.311
  507    HB   ILE  90           HB       ILE  90  -8.501  -2.255  -7.170
  508   HG12  ILE  90          2HG1      ILE  90  -7.335  -1.807  -4.449
  509   HG13  ILE  90          3HG1      ILE  90  -7.376  -3.403  -5.144
  510   HG21  ILE  90          1HG2      ILE  90  -9.948  -0.287  -6.657
  511   HG22  ILE  90          2HG2      ILE  90  -8.975  -0.023  -5.204
  512   HG23  ILE  90          3HG2      ILE  90  -8.229   0.019  -6.823
  513   HD11  ILE  90          3HD1      ILE  90  -5.279  -2.291  -5.586
  514   HD12  ILE  90          1HD1      ILE  90  -6.114  -2.847  -7.043
  515   HD13  ILE  90          2HD1      ILE  90  -6.104  -1.113  -6.632
  516    H    GLU  91           H        GLU  91 -10.280  -4.340  -7.530
  517    HA   GLU  91           HA       GLU  91  -9.771  -6.722  -5.865
  518    HB2  GLU  91           2HB      GLU  91 -11.672  -6.555  -7.540
  519    HB3  GLU  91           3HB      GLU  91 -10.390  -6.725  -8.736
  520    HG2  GLU  91           2HG      GLU  91  -9.695  -8.860  -7.603
  521    HG3  GLU  91           3HG      GLU  91 -11.126  -8.706  -6.578
  522    H    PHE  92           H        PHE  92  -7.848  -6.992  -5.390
  523    HA   PHE  92           HA       PHE  92  -5.399  -6.561  -6.880
  524    HD1  PHE  92           HD1      PHE  92  -3.425  -8.327  -6.504
  525    HD2  PHE  92           HD2      PHE  92  -4.394  -7.373  -2.402
  526    HE1  PHE  92           HE1      PHE  92  -1.153  -8.979  -5.811
  527    HE2  PHE  92           HE2      PHE  92  -2.094  -8.013  -1.725
  528    HZ   PHE  92           HZ       PHE  92  -0.479  -8.804  -3.455
  529    HB2  PHE  92           2HB      PHE  92  -5.747  -6.428  -4.404
  530    HB3  PHE  92           3HB      PHE  92  -6.186  -7.992  -4.302
  531    H    ARG  93           H        ARG  93  -5.998  -7.832  -8.851
  532    HA   ARG  93           HA       ARG  93  -5.614  -9.657 -10.186
  533    HE   ARG  93           HE       ARG  93  -0.828  -8.624 -10.244
  534    HB2  ARG  93           2HB      ARG  93  -4.088 -10.585  -7.701
  535    HB3  ARG  93           3HB      ARG  93  -4.024 -11.415  -9.256
  536    HG2  ARG  93           2HG      ARG  93  -3.154  -9.410 -10.383
  537    HG3  ARG  93           3HG      ARG  93  -3.190  -8.509  -8.849
  538    HD2  ARG  93           2HD      ARG  93  -1.634 -10.099  -7.833
  539    HD3  ARG  93           3HD      ARG  93  -1.641 -11.093  -9.308
  540   HH11  ARG  93          1HH1      ARG  93   0.504 -10.728  -7.707
  541   HH12  ARG  93          2HH1      ARG  93   2.118 -10.088  -8.047
  542   HH21  ARG  93          2HH2      ARG  93   1.198  -8.073 -10.573
  543   HH22  ARG  93          1HH2      ARG  93   2.502  -8.736  -9.543
  544    H    GLY  94           H        GLY  94  -7.712 -10.024  -7.707
  545    HA2  GLY  94           2HA      GLY  94  -9.496 -11.883  -8.205
  546    HA3  GLY  94           3HA      GLY  94  -8.128 -12.961  -7.889
  547    H    SER  95           H        SER  95  -7.259 -10.593  -5.783
  548    HA   SER  95           HA       SER  95  -8.866 -11.470  -3.505
  549    HG   SER  95           HG       SER  95  -6.678 -12.556  -2.514
  550    HB2  SER  95           3HB      SER  95  -6.174 -10.195  -4.052
  551    HB3  SER  95           2HB      SER  95  -6.775 -10.280  -2.447
  552    H    VAL  96           H        VAL  96  -9.008  -9.239  -2.125
  553    HA   VAL  96           HA       VAL  96  -8.892  -6.846  -3.819
  554    HB   VAL  96           HB       VAL  96 -10.988  -6.576  -4.250
  555   HG11  VAL  96          1HG1      VAL  96 -12.864  -7.810  -3.505
  556   HG12  VAL  96          2HG1      VAL  96 -11.532  -8.819  -4.065
  557   HG13  VAL  96          3HG1      VAL  96 -11.843  -8.651  -2.301
  558   HG21  VAL  96          3HG2      VAL  96 -12.550  -5.633  -2.731
  559   HG22  VAL  96          1HG2      VAL  96 -11.571  -6.126  -1.340
  560   HG23  VAL  96          2HG2      VAL  96 -10.959  -4.926  -2.493
  561    H    ILE  97           H        ILE  97  -8.572  -4.949  -2.533
  562    HA   ILE  97           HA       ILE  97  -8.102  -5.308   0.389
  563    HB   ILE  97           HB       ILE  97  -6.274  -3.525   0.031
  564   HG12  ILE  97          2HG1      ILE  97  -6.198  -4.820  -2.710
  565   HG13  ILE  97          3HG1      ILE  97  -6.726  -3.166  -2.392
  566   HG21  ILE  97          1HG2      ILE  97  -4.545  -5.173  -0.000
  567   HG22  ILE  97          2HG2      ILE  97  -5.910  -5.801   0.907
  568   HG23  ILE  97          3HG2      ILE  97  -5.647  -6.381  -0.750
  569   HD11  ILE  97          3HD1      ILE  97  -4.482  -3.077  -3.216
  570   HD12  ILE  97          1HD1      ILE  97  -4.431  -2.661  -1.485
  571   HD13  ILE  97          2HD1      ILE  97  -3.920  -4.280  -2.041
  572    H    THR  98           H        THR  98  -8.451  -3.546   1.663
  573    HA   THR  98           HA       THR  98  -9.820  -1.088   0.533
  574    HB   THR  98           HB       THR  98 -10.090  -2.468   3.197
  575    HG1  THR  98           1HG      THR  98 -12.126  -3.092   2.490
  576   HG21  THR  98          1HG2      THR  98 -11.847  -0.265   2.095
  577   HG22  THR  98          2HG2      THR  98 -11.917  -1.005   3.708
  578   HG23  THR  98          3HG2      THR  98 -10.536   0.012   3.268
  579    H    VAL  99           H        VAL  99  -8.942   0.824   1.319
  580    HA   VAL  99           HA       VAL  99  -6.590   0.616   3.088
  581    HB   VAL  99           HB       VAL  99  -5.028   1.589   1.625
  582   HG11  VAL  99          1HG1      VAL  99  -6.494  -0.520  -0.020
  583   HG12  VAL  99          2HG1      VAL  99  -4.790  -0.078  -0.114
  584   HG13  VAL  99          3HG1      VAL  99  -5.425  -0.851   1.341
  585   HG21  VAL  99          3HG2      VAL  99  -5.612   2.049  -0.757
  586   HG22  VAL  99          1HG2      VAL  99  -7.318   1.838  -0.290
  587   HG23  VAL  99          2HG2      VAL  99  -6.349   3.152   0.404
  588    H    GLU 100           H        GLU 100  -5.940   2.370   4.067
  589    HA   GLU 100           HA       GLU 100  -7.259   5.028   3.776
  590    HB2  GLU 100           2HB      GLU 100  -8.286   4.833   6.049
  591    HB3  GLU 100           3HB      GLU 100  -9.079   3.784   4.894
  592    HG2  GLU 100           2HG      GLU 100  -6.935   2.359   6.347
  593    HG3  GLU 100           3HG      GLU 100  -8.006   3.183   7.458
  594    H    ARG 101           H        ARG 101  -6.465   6.596   5.176
  595    HA   ARG 101           HA       ARG 101  -3.790   6.206   6.230
  596    HE   ARG 101           HE       ARG 101  -4.622  10.799   8.933
  597    HB2  ARG 101           2HB      ARG 101  -4.090   8.316   7.238
  598    HB3  ARG 101           3HB      ARG 101  -4.411   8.388   5.527
  599    HG2  ARG 101           2HG      ARG 101  -6.656   8.858   5.828
  600    HG3  ARG 101           3HG      ARG 101  -6.761   8.076   7.391
  601    HD2  ARG 101           2HD      ARG 101  -5.238  10.628   6.776
  602    HD3  ARG 101           3HD      ARG 101  -6.859  10.608   7.452
  603   HH11  ARG 101          1HH1      ARG 101  -6.948   8.151   9.102
  604   HH12  ARG 101          2HH1      ARG 101  -6.425   7.740  10.711
  605   HH21  ARG 101          2HH2      ARG 101  -4.037  10.129  10.976
  606   HH22  ARG 101          1HH2      ARG 101  -4.790   8.724  11.636
  607    H    ASP 102           H        ASP 102  -3.085   6.140   8.280
  608    HA   ASP 102           HA       ASP 102  -4.990   5.277  10.419
  609    HB2  ASP 102           2HB      ASP 102  -3.596   3.530   9.071
  610    HB3  ASP 102           3HB      ASP 102  -2.236   4.093   9.997
  611    H    ASP 103           H        ASP 103  -1.570   6.307  10.012
  612    HA   ASP 103           HA       ASP 103  -1.541   7.771  12.605
  613    HB2  ASP 103           2HB      ASP 103   0.418   6.444  11.711
  614    HB3  ASP 103           3HB      ASP 103   0.510   7.593  10.370
  615    H    ASN 104           H        ASN 104  -1.165   8.419   9.156
  616    HA   ASN 104           HA       ASN 104  -2.570  10.937   9.082
  617    HB2  ASN 104           2HB      ASN 104   0.378  10.933   9.324
  618    HB3  ASN 104           3HB      ASN 104  -0.135  11.568   7.757
  619   HD21  ASN 104          1HD2      ASN 104  -1.695  11.842  10.951
  620   HD22  ASN 104          2HD2      ASN 104  -1.599  13.612  11.006
  Start of MODEL   14
    1    HA   PRO  25           HA       PRO  25  10.629  15.273   7.434
    2    HB2  PRO  25           2HB      PRO  25  10.380  14.385   4.532
    3    HB3  PRO  25           3HB      PRO  25  11.778  15.193   5.321
    4    HG2  PRO  25           2HG      PRO  25  11.640  12.479   5.171
    5    HG3  PRO  25           3HG      PRO  25  12.230  13.275   6.660
    6    HD2  PRO  25           2HD      PRO  25   9.662  11.847   6.222
    7    HD3  PRO  25           3HD      PRO  25  10.507  12.223   7.739
    8    H    ALA  26           H        ALA  26   9.717  16.308   4.337
    9    HA   ALA  26           HA       ALA  26   8.251  18.616   5.021
   10    HB1  ALA  26           1HB      ALA  26   8.213  16.895   2.497
   11    HB2  ALA  26           2HB      ALA  26   7.645  18.576   2.611
   12    HB3  ALA  26           3HB      ALA  26   9.364  18.200   2.857
   13    H    LYS  27           H        LYS  27   7.149  15.383   4.209
   14    HA   LYS  27           HA       LYS  27   4.687  15.652   5.833
   15    HB2  LYS  27           2HB      LYS  27   4.733  15.228   2.905
   16    HB3  LYS  27           3HB      LYS  27   4.182  13.789   3.680
   17    HG2  LYS  27           2HG      LYS  27   2.972  16.538   4.175
   18    HG3  LYS  27           3HG      LYS  27   2.384  15.323   3.043
   19    HD2  LYS  27           2HD      LYS  27   2.310  13.737   5.147
   20    HD3  LYS  27           3HD      LYS  27   2.341  15.243   6.074
   21    HE2  LYS  27           2HE      LYS  27   0.303  14.345   4.003
   22    HE3  LYS  27           3HE      LYS  27   0.065  14.398   5.737
   23    HZ1  LYS  27           3HZ      LYS  27   0.529  16.799   4.040
   24    HZ2  LYS  27           1HZ      LYS  27  -0.914  16.333   4.604
   25    HZ3  LYS  27           2HZ      LYS  27   0.230  16.813   5.668
   26    H    ARG  28           H        ARG  28   3.933  13.531   6.456
   27    HA   ARG  28           HA       ARG  28   5.167  11.094   5.680
   28    HE   ARG  28           HE       ARG  28   6.313   8.945   9.057
   29    HB2  ARG  28           2HB      ARG  28   6.038  10.234   7.564
   30    HB3  ARG  28           3HB      ARG  28   6.813  11.785   7.447
   31    HG2  ARG  28           2HG      ARG  28   5.558  12.705   9.276
   32    HG3  ARG  28           3HG      ARG  28   4.411  11.347   9.289
   33    HD2  ARG  28           2HD      ARG  28   7.386  11.045   9.733
   34    HD3  ARG  28           3HD      ARG  28   6.207  11.207  11.054
   35   HH11  ARG  28          1HH2      ARG  28   5.004   9.941  12.205
   36   HH12  ARG  28          2HH2      ARG  28   4.139   8.401  12.289
   37   HH21  ARG  28          1HH1      ARG  28   5.183   7.241   9.324
   38   HH22  ARG  28          2HH1      ARG  28   4.319   6.937  10.859
   39    H    TYR  29           H        TYR  29   3.722   9.357   6.141
   40    HA   TYR  29           HA       TYR  29   1.118  10.162   7.333
   41    HD1  TYR  29           HD1      TYR  29   0.833   7.444   4.369
   42    HD2  TYR  29           HD2      TYR  29   2.747  11.163   3.153
   43    HE1  TYR  29           HE1      TYR  29   1.767   6.324   2.371
   44    HE2  TYR  29           HE2      TYR  29   3.462  10.109   1.139
   45    HH   TYR  29           HH       TYR  29   3.457   8.085  -0.146
   46    HB2  TYR  29           2HB      TYR  29   0.045   9.633   5.139
   47    HB3  TYR  29           3HB      TYR  29   1.060  11.081   5.055
   48    H    ARG  30           H        ARG  30   3.021   7.693   6.199
   49    HA   ARG  30           HA       ARG  30   2.790   5.450   6.016
   50    HE   ARG  30           HE       ARG  30   1.900   3.983  10.270
   51    HB2  ARG  30           2HB      ARG  30   3.575   6.158   8.303
   52    HB3  ARG  30           3HB      ARG  30   2.022   5.699   8.899
   53    HG2  ARG  30           2HG      ARG  30   3.857   3.831   7.284
   54    HG3  ARG  30           3HG      ARG  30   4.021   4.011   9.028
   55    HD2  ARG  30           2HD      ARG  30   1.546   3.011   7.576
   56    HD3  ARG  30           3HD      ARG  30   2.756   2.025   8.411
   57   HH11  ARG  30          1HH1      ARG  30   0.113   1.429   8.651
   58   HH12  ARG  30          2HH1      ARG  30  -0.988   1.295   9.987
   59   HH21  ARG  30          2HH2      ARG  30   0.487   3.904  11.689
   60   HH22  ARG  30          1HH2      ARG  30  -0.906   2.856  11.583
   61    H    ILE  31           H        ILE  31   1.111   4.925   4.590
   62    HA   ILE  31           HA       ILE  31  -1.680   4.655   5.513
   63    HB   ILE  31           HB       ILE  31  -2.142   3.642   3.324
   64   HG12  ILE  31          2HG1      ILE  31   0.737   4.166   2.592
   65   HG13  ILE  31          3HG1      ILE  31   0.133   2.565   3.063
   66   HG21  ILE  31          1HG2      ILE  31  -2.257   6.074   3.495
   67   HG22  ILE  31          2HG2      ILE  31  -0.556   6.200   3.015
   68   HG23  ILE  31          3HG2      ILE  31  -1.773   5.566   1.889
   69   HD11  ILE  31          3HD1      ILE  31   0.152   2.564   0.727
   70   HD12  ILE  31          1HD1      ILE  31  -1.546   2.702   1.217
   71   HD13  ILE  31          2HD1      ILE  31  -0.660   4.132   0.613
   72    H    THR  32           H        THR  32  -2.834   2.874   5.470
   73    HA   THR  32           HA       THR  32  -1.620   0.170   6.001
   74    HB   THR  32           HB       THR  32  -4.272   1.517   6.618
   75    HG1  THR  32           1HG      THR  32  -3.563   1.452   8.664
   76   HG21  THR  32          1HG2      THR  32  -3.394  -1.405   7.122
   77   HG22  THR  32          2HG2      THR  32  -4.811  -0.647   7.892
   78   HG23  THR  32          3HG2      THR  32  -4.766  -0.876   6.144
   79    H    MET  33           H        MET  33  -2.206  -1.548   4.822
   80    HA   MET  33           HA       MET  33  -4.218  -1.240   2.743
   81    HB2  MET  33           2HB      MET  33  -1.450  -2.418   2.140
   82    HB3  MET  33           3HB      MET  33  -2.772  -2.140   1.014
   83    HG2  MET  33           2HG      MET  33  -2.412   0.396   1.796
   84    HG3  MET  33           3HG      MET  33  -0.837  -0.223   2.229
   85    HE1  MET  33           3HE      MET  33   0.110  -2.058   0.092
   86    HE2  MET  33           1HE      MET  33  -1.413  -2.297  -0.795
   87    HE3  MET  33           2HE      MET  33  -0.020  -1.546  -1.607
   88    H    LYS  34           H        LYS  34  -5.507  -2.957   2.601
   89    HA   LYS  34           HA       LYS  34  -4.630  -5.682   3.255
   90    HB2  LYS  34           2HB      LYS  34  -6.807  -5.599   5.009
   91    HB3  LYS  34           3HB      LYS  34  -5.262  -5.725   5.332
   92    HG2  LYS  34           2HG      LYS  34  -6.097  -4.065   6.799
   93    HG3  LYS  34           3HG      LYS  34  -5.385  -3.022   5.550
   94    HD2  LYS  34           2HD      LYS  34  -7.739  -3.339   4.339
   95    HD3  LYS  34           3HD      LYS  34  -8.285  -3.962   5.865
   96    HE2  LYS  34           2HE      LYS  34  -8.779  -1.728   6.203
   97    HE3  LYS  34           3HE      LYS  34  -7.074  -1.658   6.728
   98    HZ1  LYS  34           3HZ      LYS  34  -6.646  -0.352   5.004
   99    HZ2  LYS  34           1HZ      LYS  34  -7.270  -1.401   3.884
  100    HZ3  LYS  34           2HZ      LYS  34  -8.170  -0.238   4.680
  101    H    ASN  35           H        ASN  35  -6.332  -7.200   3.279
  102    HA   ASN  35           HA       ASN  35  -8.798  -6.760   3.650
  103    HB2  ASN  35           2HB      ASN  35  -9.363  -5.448   1.915
  104    HB3  ASN  35           3HB      ASN  35  -8.464  -6.336   0.745
  105   HD21  ASN  35          2HD2      ASN  35  -9.649  -7.464  -0.662
  106   HD22  ASN  35          1HD2      ASN  35 -11.311  -8.009  -0.420
  107    H    LEU  36           H        LEU  36 -10.289  -8.729   3.220
  108    HA   LEU  36           HA       LEU  36  -9.013 -10.857   4.403
  109    HG   LEU  36           HG       LEU  36 -11.645  -9.125   4.697
  110    HB2  LEU  36           2HB      LEU  36 -11.667 -10.870   2.939
  111    HB3  LEU  36           3HB      LEU  36 -11.142 -12.075   4.111
  112   HD11  LEU  36          1HD1      LEU  36 -13.678 -10.459   4.295
  113   HD12  LEU  36          2HD1      LEU  36 -13.153 -11.642   5.516
  114   HD13  LEU  36          3HD1      LEU  36 -13.548  -9.975   5.996
  115   HD21  LEU  36          3HD2      LEU  36  -9.886  -9.930   6.202
  116   HD22  LEU  36          1HD2      LEU  36 -11.405  -9.802   7.090
  117   HD23  LEU  36          2HD2      LEU  36 -10.825 -11.398   6.562
  118    HA   PRO  37           HA       PRO  37  -8.924 -13.776   0.686
  119    HB2  PRO  37           2HB      PRO  37  -9.021 -12.985  -1.896
  120    HB3  PRO  37           3HB      PRO  37 -10.478 -12.992  -0.868
  121    HG2  PRO  37           2HG      PRO  37  -8.670 -10.632  -1.474
  122    HG3  PRO  37           3HG      PRO  37 -10.455 -10.725  -1.636
  123    HD2  PRO  37           2HD      PRO  37  -9.162  -9.727   0.559
  124    HD3  PRO  37           3HD      PRO  37 -10.755 -10.540   0.684
  125    H    GLU  38           H        GLU  38  -6.802 -12.456   2.009
  126    HA   GLU  38           HA       GLU  38  -4.456 -12.717   0.192
  127    HB2  GLU  38           2HB      GLU  38  -5.709 -10.310   0.395
  128    HB3  GLU  38           3HB      GLU  38  -4.642 -10.188   1.791
  129    HG2  GLU  38           3HG      GLU  38  -2.740 -10.469   0.457
  130    HG3  GLU  38           2HG      GLU  38  -3.635 -10.941  -1.012
  131    H    GLY  39           H        GLY  39  -2.453 -12.130   1.336
  132    HA2  GLY  39           2HA      GLY  39  -2.097 -12.175   4.146
  133    HA3  GLY  39           3HA      GLY  39  -1.792 -13.803   3.503
  134    H    CYS  40           H        CYS  40  -1.212 -10.519   2.179
  135    HA   CYS  40           HA       CYS  40   0.972 -11.332   0.625
  136    HG   CYS  40           HG       CYS  40  -1.432  -7.762   1.040
  137    HB2  CYS  40           2HB      CYS  40   1.214  -8.841   0.203
  138    HB3  CYS  40           3HB      CYS  40  -0.378  -9.514  -0.102
  139    H    SER  41           H        SER  41   3.089 -10.419   0.515
  140    HA   SER  41           HA       SER  41   4.430  -9.523   3.042
  141    HG   SER  41           HG       SER  41   5.438 -12.021   3.451
  142    HB2  SER  41           2HB      SER  41   5.569 -11.182   0.767
  143    HB3  SER  41           3HB      SER  41   6.465 -10.629   2.187
  144    H    TRP  42           H        TRP  42   6.593  -8.274   2.418
  145    HA   TRP  42           HA       TRP  42   5.741  -6.060   0.924
  146    HD1  TRP  42           HD1      TRP  42  10.300  -4.787   1.390
  147    HE1  TRP  42           HE1      TRP  42  10.344  -2.531   0.173
  148    HE3  TRP  42           HE3      TRP  42   5.271  -4.206   0.479
  149    HZ2  TRP  42           HZ2      TRP  42   8.449  -0.812  -1.234
  150    HZ3  TRP  42           HZ3      TRP  42   4.468  -2.373  -0.913
  151    HH2  TRP  42           HH2      TRP  42   5.999  -0.640  -1.716
  152    HB2  TRP  42           2HB      TRP  42   7.453  -5.895   2.637
  153    HB3  TRP  42           3HB      TRP  42   8.599  -6.733   1.636
  154    H    GLN  43           H        GLN  43   7.693  -8.799  -0.222
  155    HA   GLN  43           HA       GLN  43   8.172  -7.663  -2.748
  156    HB2  GLN  43           2HB      GLN  43   8.412 -10.032  -3.575
  157    HB3  GLN  43           3HB      GLN  43   9.358  -9.707  -2.122
  158    HG2  GLN  43           2HG      GLN  43   8.032 -11.061  -0.767
  159    HG3  GLN  43           3HG      GLN  43   6.582 -10.823  -1.723
  160   HE21  GLN  43          1HE2      GLN  43   5.920 -12.512  -3.007
  161   HE22  GLN  43          2HE2      GLN  43   7.005 -13.810  -3.513
  162    H    ASP  44           H        ASP  44   5.214  -8.808  -1.551
  163    HA   ASP  44           HA       ASP  44   4.039  -9.379  -4.193
  164    HB2  ASP  44           2HB      ASP  44   2.901  -9.302  -1.361
  165    HB3  ASP  44           3HB      ASP  44   2.121  -9.812  -2.801
  166    H    LEU  45           H        LEU  45   3.775  -7.070  -1.460
  167    HA   LEU  45           HA       LEU  45   1.922  -5.360  -2.858
  168    HG   LEU  45           HG       LEU  45   1.470  -6.501  -0.240
  169    HB2  LEU  45           2HB      LEU  45   3.578  -5.211  -0.349
  170    HB3  LEU  45           3HB      LEU  45   2.709  -3.804  -0.942
  171   HD11  LEU  45          1HD1      LEU  45   2.272  -5.220   1.655
  172   HD12  LEU  45          2HD1      LEU  45   1.424  -3.761   1.088
  173   HD13  LEU  45          3HD1      LEU  45   0.505  -5.204   1.632
  174   HD21  LEU  45          3HD2      LEU  45   0.252  -3.963  -1.360
  175   HD22  LEU  45          1HD2      LEU  45  -0.006  -5.618  -1.882
  176   HD23  LEU  45          2HD2      LEU  45  -0.712  -5.075  -0.360
  177    H    LYS  46           H        LYS  46   5.485  -5.424  -2.730
  178    HA   LYS  46           HA       LYS  46   6.069  -3.054  -4.359
  179    HB2  LYS  46           2HB      LYS  46   7.405  -5.679  -3.722
  180    HB3  LYS  46           3HB      LYS  46   7.847  -4.953  -5.245
  181    HG2  LYS  46           2HG      LYS  46   7.924  -3.349  -2.704
  182    HG3  LYS  46           3HG      LYS  46   9.273  -4.387  -3.170
  183    HD2  LYS  46           2HD      LYS  46   9.603  -3.188  -5.248
  184    HD3  LYS  46           3HD      LYS  46   8.123  -2.250  -4.995
  185    HE2  LYS  46           2HE      LYS  46   9.059  -1.073  -3.121
  186    HE3  LYS  46           3HE      LYS  46  10.506  -2.093  -3.117
  187    HZ1  LYS  46           3HZ      LYS  46   9.763  -0.244  -5.349
  188    HZ2  LYS  46           1HZ      LYS  46  10.819   0.122  -4.217
  189    HZ3  LYS  46           2HZ      LYS  46  11.148  -1.121  -5.234
  190    H    ASP  47           H        ASP  47   5.589  -6.414  -5.368
  191    HA   ASP  47           HA       ASP  47   5.446  -5.890  -8.119
  192    HB2  ASP  47           2HB      ASP  47   5.592  -8.155  -7.179
  193    HB3  ASP  47           3HB      ASP  47   4.061  -8.007  -6.383
  194    H    LEU  48           H        LEU  48   2.536  -6.123  -6.017
  195    HA   LEU  48           HA       LEU  48   0.976  -5.281  -8.201
  196    HG   LEU  48           HG       LEU  48  -1.333  -4.310  -7.695
  197    HB2  LEU  48           2HB      LEU  48  -0.170  -6.208  -6.340
  198    HB3  LEU  48           3HB      LEU  48   0.386  -4.949  -5.229
  199   HD11  LEU  48          1HD1      LEU  48  -2.546  -5.842  -6.387
  200   HD12  LEU  48          2HD1      LEU  48  -2.254  -4.917  -4.866
  201   HD13  LEU  48          3HD1      LEU  48  -3.276  -4.262  -6.155
  202   HD21  LEU  48          3HD2      LEU  48  -2.120  -2.477  -6.068
  203   HD22  LEU  48          1HD2      LEU  48  -0.604  -2.839  -5.194
  204   HD23  LEU  48          2HD2      LEU  48  -0.613  -2.295  -6.905
  205    H    ALA  49           H        ALA  49   2.534  -3.238  -5.641
  206    HA   ALA  49           HA       ALA  49   1.484  -0.803  -6.535
  207    HB1  ALA  49           1HB      ALA  49   4.102  -1.646  -5.276
  208    HB2  ALA  49           2HB      ALA  49   3.817   0.027  -5.726
  209    HB3  ALA  49           3HB      ALA  49   2.711  -0.758  -4.561
  210    H    ARG  50           H        ARG  50   4.202  -2.660  -7.888
  211    HA   ARG  50           HA       ARG  50   4.959  -0.588  -9.710
  212    HE   ARG  50           HE       ARG  50   8.278   0.188  -7.140
  213    HB2  ARG  50           2HB      ARG  50   5.577  -3.564  -9.973
  214    HB3  ARG  50           3HB      ARG  50   6.436  -2.258 -10.746
  215    HG2  ARG  50           2HG      ARG  50   6.722  -3.418  -8.104
  216    HG3  ARG  50           3HG      ARG  50   7.915  -2.625  -8.988
  217    HD2  ARG  50           2HD      ARG  50   5.875  -0.944  -7.527
  218    HD3  ARG  50           3HD      ARG  50   7.096  -1.754  -6.671
  219   HH11  ARG  50          2HH2      ARG  50   6.850  -0.538 -10.277
  220   HH12  ARG  50          1HH2      ARG  50   7.649   0.844 -10.977
  221   HH21  ARG  50          1HH1      ARG  50   9.201   1.721  -8.045
  222   HH22  ARG  50          2HH1      ARG  50   8.993   2.095  -9.757
  223    H    GLU  51           H        GLU  51   2.681  -3.234  -9.841
  224    HA   GLU  51           HA       GLU  51   1.829  -3.107 -12.591
  225    HB2  GLU  51           2HB      GLU  51   0.044  -3.667 -10.190
  226    HB3  GLU  51           3HB      GLU  51  -0.399  -3.864 -11.788
  227    HG2  GLU  51           2HG      GLU  51   2.034  -5.225 -10.620
  228    HG3  GLU  51           3HG      GLU  51   0.512  -5.917 -10.347
  229    H    ASN  52           H        ASN  52   0.899  -1.356  -9.788
  230    HA   ASN  52           HA       ASN  52  -1.343   0.006 -11.037
  231    HB2  ASN  52           2HB      ASN  52  -0.219  -0.702  -8.370
  232    HB3  ASN  52           3HB      ASN  52  -1.005   0.782  -8.384
  233   HD21  ASN  52          2HD2      ASN  52  -1.388  -2.638  -9.002
  234   HD22  ASN  52          1HD2      ASN  52  -3.121  -2.632  -8.710
  235    H    SER  53           H        SER  53   1.847   0.971 -10.069
  236    HA   SER  53           HA       SER  53   3.000   2.605 -11.362
  237    HG   SER  53           HG       SER  53   0.174   3.278 -12.586
  238    HB2  SER  53           2HB      SER  53   0.692   4.510 -10.818
  239    HB3  SER  53           3HB      SER  53   2.241   4.897 -11.568
  240    H    LEU  54           H        LEU  54   2.236   1.864  -8.368
  241    HA   LEU  54           HA       LEU  54   3.230   4.223  -6.922
  242    HG   LEU  54           HG       LEU  54   0.688   3.157  -5.077
  243    HB2  LEU  54           2HB      LEU  54   1.992   1.639  -6.173
  244    HB3  LEU  54           3HB      LEU  54   3.362   1.990  -5.216
  245   HD11  LEU  54          1HD1      LEU  54   1.449   3.211  -2.612
  246   HD12  LEU  54          2HD1      LEU  54   1.569   1.615  -3.360
  247   HD13  LEU  54          3HD1      LEU  54   3.006   2.615  -3.131
  248   HD21  LEU  54          3HD2      LEU  54   3.167   4.836  -4.539
  249   HD22  LEU  54          1HD2      LEU  54   1.824   5.218  -5.653
  250   HD23  LEU  54          2HD2      LEU  54   1.550   5.210  -3.913
  251    H    GLU  55           H        GLU  55   4.796   4.142  -5.586
  252    HA   GLU  55           HA       GLU  55   6.832   2.205  -5.165
  253    HB2  GLU  55           2HB      GLU  55   7.664   3.345  -7.221
  254    HB3  GLU  55           3HB      GLU  55   7.412   4.910  -6.479
  255    HG2  GLU  55           2HG      GLU  55   9.650   4.478  -6.302
  256    HG3  GLU  55           3HG      GLU  55   9.065   4.361  -4.692
  257    H    THR  56           H        THR  56   7.484   2.723  -2.927
  258    HA   THR  56           HA       THR  56   7.071   5.537  -1.987
  259    HB   THR  56           HB       THR  56   6.117   4.865   0.050
  260    HG1  THR  56           1HG      THR  56   5.925   2.705   0.631
  261   HG21  THR  56          1HG2      THR  56   4.724   3.071  -1.926
  262   HG22  THR  56          2HG2      THR  56   4.022   3.870  -0.504
  263   HG23  THR  56          3HG2      THR  56   4.517   4.826  -1.888
  264    H    THR  57           H        THR  57   8.067   5.128   0.653
  265    HA   THR  57           HA       THR  57  10.962   4.830   0.281
  266    HB   THR  57           HB       THR  57   9.457   4.691   2.925
  267    HG1  THR  57           1HG      THR  57   8.694   6.499   2.216
  268   HG21  THR  57          1HG2      THR  57  11.849   4.250   3.083
  269   HG22  THR  57          2HG2      THR  57  12.208   5.768   2.214
  270   HG23  THR  57          3HG2      THR  57  11.451   5.805   3.828
  271    H    PHE  58           H        PHE  58   8.252   3.018   1.665
  272    HA   PHE  58           HA       PHE  58   9.407   0.397   1.641
  273    HD1  PHE  58           HD1      PHE  58   8.774   3.443   4.791
  274    HD2  PHE  58           HD2      PHE  58   9.450  -0.772   5.418
  275    HE1  PHE  58           HE1      PHE  58   7.639   3.577   7.011
  276    HE2  PHE  58           HE2      PHE  58   8.307  -0.632   7.609
  277    HZ   PHE  58           HZ       PHE  58   7.384   1.537   8.401
  278    HB2  PHE  58           2HB      PHE  58  10.493   0.364   3.604
  279    HB3  PHE  58           3HB      PHE  58  10.529   2.086   3.544
  280    H    SER  59           H        SER  59   8.137  -1.088   3.066
  281    HA   SER  59           HA       SER  59   5.653  -0.015   4.214
  282    HG   SER  59           HG       SER  59   3.570  -2.581   2.789
  283    HB2  SER  59           2HB      SER  59   4.819  -0.786   2.151
  284    HB3  SER  59           3HB      SER  59   5.755  -2.256   2.243
  285    H    SER  60           H        SER  60   5.085  -0.996   6.048
  286    HA   SER  60           HA       SER  60   6.652  -3.229   7.236
  287    HG   SER  60           HG       SER  60   5.865  -1.079   9.853
  288    HB2  SER  60           2HB      SER  60   4.330  -1.500   8.154
  289    HB3  SER  60           3HB      SER  60   4.851  -2.950   9.048
  290    H    VAL  61           H        VAL  61   6.186  -5.171   6.333
  291    HA   VAL  61           HA       VAL  61   3.378  -6.127   6.250
  292    HB   VAL  61           HB       VAL  61   5.156  -7.196   4.100
  293   HG11  VAL  61          1HG1      VAL  61   2.223  -6.374   3.996
  294   HG12  VAL  61          2HG1      VAL  61   3.072  -7.387   2.841
  295   HG13  VAL  61          3HG1      VAL  61   2.745  -7.988   4.471
  296   HG21  VAL  61          3HG2      VAL  61   5.535  -4.834   3.679
  297   HG22  VAL  61          1HG2      VAL  61   4.432  -5.499   2.463
  298   HG23  VAL  61          2HG2      VAL  61   3.779  -4.538   3.795
  299    H    ASN  62           H        ASN  62   3.362  -8.531   6.028
  300    HA   ASN  62           HA       ASN  62   3.946 -10.662   6.531
  301    HB2  ASN  62           2HB      ASN  62   6.603  -9.652   7.605
  302    HB3  ASN  62           3HB      ASN  62   6.111 -11.326   7.499
  303   HD21  ASN  62          1HD2      ASN  62   7.337  -8.596   5.696
  304   HD22  ASN  62          2HD2      ASN  62   7.709  -9.560   4.266
  305    H    THR  63           H        THR  63   3.481  -8.090   8.590
  306    HA   THR  63           HA       THR  63   3.403  -9.063  11.202
  307    HB   THR  63           HB       THR  63   1.288  -7.345   9.834
  308    HG1  THR  63           1HG      THR  63   2.628  -5.627  10.348
  309   HG21  THR  63          1HG2      THR  63   0.697  -7.925  12.162
  310   HG22  THR  63          2HG2      THR  63   2.301  -7.386  12.713
  311   HG23  THR  63          3HG2      THR  63   1.140  -6.222  12.038
  312    H    ARG  64           H        ARG  64   2.220 -10.601  12.250
  313    HA   ARG  64           HA       ARG  64   0.075 -12.108  10.943
  314    HE   ARG  64           HE       ARG  64   0.982 -14.211  10.366
  315    HB2  ARG  64           2HB      ARG  64   1.792 -13.093  12.562
  316    HB3  ARG  64           3HB      ARG  64   0.944 -12.248  13.852
  317    HG2  ARG  64           2HG      ARG  64  -0.193 -14.201  14.016
  318    HG3  ARG  64           3HG      ARG  64  -1.190 -13.539  12.725
  319    HD2  ARG  64           2HD      ARG  64   1.129 -15.496  12.446
  320    HD3  ARG  64           3HD      ARG  64  -0.580 -15.877  12.317
  321   HH11  ARG  64          1HH2      ARG  64  -1.700 -16.461  10.828
  322   HH12  ARG  64          2HH2      ARG  64  -2.067 -16.436   9.105
  323   HH21  ARG  64          2HH1      ARG  64   0.363 -14.275   8.246
  324   HH22  ARG  64          1HH1      ARG  64  -0.831 -15.400   7.710
  325    H    ASP  65           H        ASP  65  -0.927 -10.035  10.506
  326    HA   ASP  65           HA       ASP  65  -2.774  -8.778  12.400
  327    HB2  ASP  65           2HB      ASP  65  -1.623  -7.967  10.135
  328    HB3  ASP  65           3HB      ASP  65  -2.933  -8.828   9.378
  329    H    PHE  66           H        PHE  66  -5.043  -9.049  10.296
  330    HA   PHE  66           HA       PHE  66  -6.476 -11.324  11.131
  331    HD1  PHE  66           HD1      PHE  66  -7.738 -12.344   7.647
  332    HD2  PHE  66           HD2      PHE  66  -5.707  -8.542   7.700
  333    HE1  PHE  66           HE1      PHE  66  -7.112 -12.648   5.261
  334    HE2  PHE  66           HE2      PHE  66  -5.101  -8.852   5.292
  335    HZ   PHE  66           HZ       PHE  66  -5.801 -10.894   4.091
  336    HB2  PHE  66           2HB      PHE  66  -8.001 -10.780   9.517
  337    HB3  PHE  66           3HB      PHE  66  -7.140  -9.254   9.592
  338    H    ASP  67           H        ASP  67  -4.042 -10.995   8.595
  339    HA   ASP  67           HA       ASP  67  -3.001 -13.586   9.071
  340    HB2  ASP  67           2HB      ASP  67  -4.928 -14.163   7.431
  341    HB3  ASP  67           3HB      ASP  67  -3.995 -13.308   6.201
  342    H    GLY  68           H        GLY  68  -3.186 -11.133   6.403
  343    HA2  GLY  68           2HA      GLY  68  -0.528 -10.137   7.100
  344    HA3  GLY  68           3HA      GLY  68  -0.569 -10.964   5.560
  345    H    THR  69           H        THR  69  -0.642  -8.150   6.940
  346    HA   THR  69           HA       THR  69  -2.047  -6.556   4.799
  347    HB   THR  69           HB       THR  69  -2.625  -4.958   6.486
  348    HG1  THR  69           1HG      THR  69  -2.235  -5.654   8.749
  349   HG21  THR  69          1HG2      THR  69  -3.356  -7.647   7.688
  350   HG22  THR  69          2HG2      THR  69  -4.324  -6.154   7.635
  351   HG23  THR  69          3HG2      THR  69  -4.007  -7.120   6.167
  352    H    GLY  70           H        GLY  70  -1.093  -4.537   4.355
  353    HA2  GLY  70           2HA      GLY  70   1.831  -4.312   5.000
  354    HA3  GLY  70           3HA      GLY  70   1.143  -3.823   3.468
  355    H    ALA  71           H        ALA  71   2.651  -2.161   5.183
  356    HA   ALA  71           HA       ALA  71   0.718   0.060   5.162
  357    HB1  ALA  71           1HB      ALA  71   1.253   0.714   7.468
  358    HB2  ALA  71           2HB      ALA  71   0.586  -0.916   7.466
  359    HB3  ALA  71           3HB      ALA  71   2.336  -0.676   7.658
  360    H    LEU  72           H        LEU  72   1.559   1.493   3.896
  361    HA   LEU  72           HA       LEU  72   4.440   1.398   3.185
  362    HG   LEU  72           HG       LEU  72   2.321   1.424  -0.006
  363    HB2  LEU  72           2HB      LEU  72   2.111   2.723   1.884
  364    HB3  LEU  72           3HB      LEU  72   3.691   2.899   1.394
  365   HD11  LEU  72          1HD1      LEU  72   4.245  -0.364  -0.020
  366   HD12  LEU  72          2HD1      LEU  72   4.462   1.263  -0.617
  367   HD13  LEU  72          3HD1      LEU  72   5.068   0.853   0.980
  368   HD21  LEU  72          3HD2      LEU  72   1.149   0.173   1.670
  369   HD22  LEU  72          1HD2      LEU  72   2.027  -0.906   0.566
  370   HD23  LEU  72          2HD2      LEU  72   2.635  -0.595   2.203
  371    H    GLU  73           H        GLU  73   5.628   3.360   3.079
  372    HA   GLU  73           HA       GLU  73   4.303   5.922   4.144
  373    HB2  GLU  73           2HB      GLU  73   5.481   4.774   5.980
  374    HB3  GLU  73           3HB      GLU  73   6.916   4.625   4.973
  375    HG2  GLU  73           2HG      GLU  73   7.332   6.277   6.581
  376    HG3  GLU  73           3HG      GLU  73   7.222   7.095   5.022
  377    H    PHE  74           H        PHE  74   5.163   7.904   3.518
  378    HA   PHE  74           HA       PHE  74   7.622   8.004   1.976
  379    HD1  PHE  74           HD1      PHE  74   7.783   6.873  -0.224
  380    HD2  PHE  74           HD2      PHE  74   6.640  10.927  -0.779
  381    HE1  PHE  74           HE1      PHE  74   9.710   7.167  -1.798
  382    HE2  PHE  74           HE2      PHE  74   8.542  11.281  -2.332
  383    HZ   PHE  74           HZ       PHE  74  10.088   9.398  -2.841
  384    HB2  PHE  74           2HB      PHE  74   5.350   7.848   0.386
  385    HB3  PHE  74           3HB      PHE  74   5.427   9.552   0.701
  386    HA   PRO  75           HA       PRO  75   7.804  12.062   3.859
  387    HB2  PRO  75           2HB      PRO  75   9.602  13.386   2.213
  388    HB3  PRO  75           3HB      PRO  75  10.029  12.172   3.460
  389    HG2  PRO  75           2HG      PRO  75   9.572  11.702   0.500
  390    HG3  PRO  75           3HG      PRO  75  10.984  11.206   1.489
  391    HD2  PRO  75           2HD      PRO  75   9.041   9.451   1.034
  392    HD3  PRO  75           3HD      PRO  75   9.684   9.597   2.684
  393    H    SER  76           H        SER  76   6.082  11.549   0.986
  394    HA   SER  76           HA       SER  76   5.172  14.406   0.714
  395    HG   SER  76           HG       SER  76   7.797  13.857  -1.794
  396    HB2  SER  76           2HB      SER  76   5.725  12.659  -1.585
  397    HB3  SER  76           3HB      SER  76   5.669  14.427  -1.518
  398    H    GLU  77           H        GLU  77   3.054  14.427   0.937
  399    HA   GLU  77           HA       GLU  77   1.398  12.145   0.903
  400    HB2  GLU  77           2HB      GLU  77  -0.484  13.689   1.087
  401    HB3  GLU  77           3HB      GLU  77   0.836  14.067   2.176
  402    HG2  GLU  77           2HG      GLU  77   1.584  15.800   0.387
  403    HG3  GLU  77           3HG      GLU  77  -0.003  15.540  -0.341
  404    H    GLU  78           H        GLU  78   2.516  13.878  -1.851
  405    HA   GLU  78           HA       GLU  78   0.478  13.353  -3.740
  406    HB2  GLU  78           2HB      GLU  78   3.470  13.034  -4.203
  407    HB3  GLU  78           3HB      GLU  78   2.213  13.336  -5.402
  408    HG2  GLU  78           2HG      GLU  78   2.830  15.513  -5.172
  409    HG3  GLU  78           3HG      GLU  78   1.773  15.465  -3.745
  410    H    ILE  79           H        ILE  79   2.993  11.133  -2.549
  411    HA   ILE  79           HA       ILE  79   2.184   8.917  -4.218
  412    HB   ILE  79           HB       ILE  79   3.863   8.846  -1.686
  413   HG12  ILE  79          2HG1      ILE  79   4.487  10.055  -4.274
  414   HG13  ILE  79          3HG1      ILE  79   5.127  10.378  -2.728
  415   HG21  ILE  79          1HG2      ILE  79   3.955   7.041  -4.134
  416   HG22  ILE  79          2HG2      ILE  79   4.897   6.883  -2.646
  417   HG23  ILE  79          3HG2      ILE  79   3.157   6.629  -2.593
  418   HD11  ILE  79          3HD1      ILE  79   5.938   8.198  -4.726
  419   HD12  ILE  79          1HD1      ILE  79   6.880   9.609  -4.234
  420   HD13  ILE  79          2HD1      ILE  79   6.609   8.279  -3.089
  421    H    LEU  80           H        LEU  80   1.412   9.945  -0.942
  422    HA   LEU  80           HA       LEU  80  -0.021   7.695  -0.011
  423    HG   LEU  80           HG       LEU  80  -2.408  10.199   0.864
  424    HB2  LEU  80           2HB      LEU  80   0.428   9.295   1.576
  425    HB3  LEU  80           3HB      LEU  80   0.022  10.635   0.556
  426   HD11  LEU  80          1HD1      LEU  80  -1.494   8.334   3.065
  427   HD12  LEU  80          2HD1      LEU  80  -3.160   8.760   2.627
  428   HD13  LEU  80          3HD1      LEU  80  -2.187   7.787   1.520
  429   HD21  LEU  80          3HD2      LEU  80  -1.311  11.879   2.209
  430   HD22  LEU  80          1HD2      LEU  80  -2.465  10.985   3.213
  431   HD23  LEU  80          2HD2      LEU  80  -0.726  10.642   3.340
  432    H    VAL  81           H        VAL  81  -1.093  10.623  -1.775
  433    HA   VAL  81           HA       VAL  81  -3.919   9.913  -1.747
  434    HB   VAL  81           HB       VAL  81  -2.278  12.062  -3.183
  435   HG11  VAL  81          1HG1      VAL  81  -4.238  11.694  -4.610
  436   HG12  VAL  81          2HG1      VAL  81  -5.316  11.756  -3.199
  437   HG13  VAL  81          3HG1      VAL  81  -4.433  13.205  -3.726
  438   HG21  VAL  81          3HG2      VAL  81  -2.590  12.306  -0.711
  439   HG22  VAL  81          1HG2      VAL  81  -3.389  13.596  -1.619
  440   HG23  VAL  81          2HG2      VAL  81  -4.347  12.253  -0.948
  441    H    GLU  82           H        GLU  82  -1.276   9.609  -4.070
  442    HA   GLU  82           HA       GLU  82  -2.686   8.535  -6.210
  443    HB2  GLU  82           2HB      GLU  82  -0.002   8.504  -4.881
  444    HB3  GLU  82           3HB      GLU  82  -0.332   7.133  -5.776
  445    HG2  GLU  82           2HG      GLU  82  -0.153  10.010  -6.622
  446    HG3  GLU  82           3HG      GLU  82   0.902   8.681  -7.097
  447    H    ALA  83           H        ALA  83  -0.987   6.558  -3.641
  448    HA   ALA  83           HA       ALA  83  -2.303   4.112  -4.266
  449    HB1  ALA  83           1HB      ALA  83  -1.570   3.352  -2.111
  450    HB2  ALA  83           2HB      ALA  83  -0.340   4.399  -2.844
  451    HB3  ALA  83           3HB      ALA  83  -1.359   5.031  -1.529
  452    H    LEU  84           H        LEU  84  -3.628   6.687  -2.227
  453    HA   LEU  84           HA       LEU  84  -5.914   5.120  -1.189
  454    HG   LEU  84           HG       LEU  84  -4.132   7.954   0.294
  455    HB2  LEU  84           2HB      LEU  84  -5.545   8.150  -1.417
  456    HB3  LEU  84           3HB      LEU  84  -6.865   7.371  -0.646
  457   HD11  LEU  84          1HD1      LEU  84  -6.127   9.112   1.044
  458   HD12  LEU  84          2HD1      LEU  84  -6.808   7.585   1.660
  459   HD13  LEU  84          3HD1      LEU  84  -5.336   8.272   2.381
  460   HD21  LEU  84          3HD2      LEU  84  -5.550   5.390   0.970
  461   HD22  LEU  84          1HD2      LEU  84  -3.892   5.581   0.394
  462   HD23  LEU  84          2HD2      LEU  84  -4.291   6.153   2.033
  463    H    GLU  85           H        GLU  85  -5.333   7.035  -4.107
  464    HA   GLU  85           HA       GLU  85  -8.123   6.476  -4.877
  465    HB2  GLU  85           2HB      GLU  85  -5.915   8.113  -6.200
  466    HB3  GLU  85           3HB      GLU  85  -7.537   7.902  -6.880
  467    HG2  GLU  85           2HG      GLU  85  -8.551   9.034  -4.987
  468    HG3  GLU  85           3HG      GLU  85  -6.986   9.210  -4.196
  469    H    ARG  86           H        ARG  86  -5.081   4.899  -5.228
  470    HA   ARG  86           HA       ARG  86  -5.656   3.843  -7.961
  471    HE   ARG  86           HE       ARG  86  -2.874   7.641  -9.415
  472    HB2  ARG  86           2HB      ARG  86  -3.217   4.680  -6.415
  473    HB3  ARG  86           3HB      ARG  86  -2.993   3.327  -7.290
  474    HG2  ARG  86           2HG      ARG  86  -2.329   5.277  -8.604
  475    HG3  ARG  86           3HG      ARG  86  -3.729   4.558  -9.419
  476    HD2  ARG  86           2HD      ARG  86  -5.251   6.153  -8.399
  477    HD3  ARG  86           3HD      ARG  86  -3.949   6.771  -7.363
  478   HH11  ARG  86          1HH1      ARG  86  -6.363   7.693  -8.972
  479   HH12  ARG  86          2HH1      ARG  86  -6.351   9.408  -8.639
  480   HH21  ARG  86          1HH2      ARG  86  -3.048   9.847  -9.320
  481   HH22  ARG  86          2HH2      ARG  86  -4.636  10.597  -9.258
  482    H    LEU  87           H        LEU  87  -4.792   2.907  -4.641
  483    HA   LEU  87           HA       LEU  87  -5.076   0.077  -5.303
  484    HG   LEU  87           HG       LEU  87  -3.022  -0.564  -5.350
  485    HB2  LEU  87           2HB      LEU  87  -3.369   1.583  -3.355
  486    HB3  LEU  87           3HB      LEU  87  -3.830  -0.053  -3.081
  487   HD11  LEU  87          1HD1      LEU  87  -1.227   1.000  -6.262
  488   HD12  LEU  87          2HD1      LEU  87  -2.949   1.106  -6.673
  489   HD13  LEU  87          3HD1      LEU  87  -2.214   2.236  -5.467
  490   HD21  LEU  87          3HD2      LEU  87  -0.927   0.583  -3.469
  491   HD22  LEU  87          1HD2      LEU  87  -1.595  -1.071  -3.421
  492   HD23  LEU  87          2HD2      LEU  87  -0.602  -0.567  -4.794
  493    H    ASN  88           H        ASN  88  -7.086   2.425  -4.157
  494    HA   ASN  88           HA       ASN  88  -8.027   0.915  -1.868
  495    HB2  ASN  88           2HB      ASN  88  -7.927   3.394  -1.822
  496    HB3  ASN  88           3HB      ASN  88  -9.261   3.427  -2.992
  497   HD21  ASN  88          2HD2      ASN  88 -10.612   4.470  -1.421
  498   HD22  ASN  88          1HD2      ASN  88 -11.101   3.649   0.048
  499    H    ASN  89           H        ASN  89  -9.143  -0.807  -2.091
  500    HA   ASN  89           HA       ASN  89 -10.595  -2.357  -2.631
  501    HB2  ASN  89           2HB      ASN  89 -12.057  -0.475  -1.762
  502    HB3  ASN  89           3HB      ASN  89 -12.641  -0.295  -3.418
  503   HD21  ASN  89          1HD2      ASN  89 -12.226  -2.485  -0.632
  504   HD22  ASN  89          2HD2      ASN  89 -13.561  -3.552  -1.052
  505    H    ILE  90           H        ILE  90  -8.686  -2.172  -4.293
  506    HA   ILE  90           HA       ILE  90  -9.794  -2.638  -7.044
  507    HB   ILE  90           HB       ILE  90  -7.552  -2.155  -7.980
  508   HG12  ILE  90          2HG1      ILE  90  -6.022  -0.878  -6.702
  509   HG13  ILE  90          3HG1      ILE  90  -6.651  -1.604  -5.204
  510   HG21  ILE  90          1HG2      ILE  90  -7.758   0.228  -7.776
  511   HG22  ILE  90          2HG2      ILE  90  -9.398  -0.389  -7.562
  512   HG23  ILE  90          3HG2      ILE  90  -8.449   0.115  -6.137
  513   HD11  ILE  90          3HD1      ILE  90  -5.733  -3.744  -5.909
  514   HD12  ILE  90          1HD1      ILE  90  -5.482  -3.137  -7.570
  515   HD13  ILE  90          2HD1      ILE  90  -4.524  -2.493  -6.231
  516    H    GLU  91           H        GLU  91  -9.314  -4.458  -8.116
  517    HA   GLU  91           HA       GLU  91  -8.645  -6.800  -6.556
  518    HB2  GLU  91           2HB      GLU  91 -10.269  -6.785  -8.432
  519    HB3  GLU  91           3HB      GLU  91  -8.888  -6.476  -9.472
  520    HG2  GLU  91           2HG      GLU  91  -7.957  -8.678  -8.259
  521    HG3  GLU  91           3HG      GLU  91  -9.665  -8.992  -8.041
  522    H    PHE  92           H        PHE  92  -6.783  -7.217  -5.904
  523    HA   PHE  92           HA       PHE  92  -4.296  -6.500  -7.203
  524    HD1  PHE  92           HD1      PHE  92  -2.207  -8.425  -6.832
  525    HD2  PHE  92           HD2      PHE  92  -3.182  -7.166  -2.815
  526    HE1  PHE  92           HE1      PHE  92   0.093  -8.937  -6.101
  527    HE2  PHE  92           HE2      PHE  92  -0.887  -7.727  -2.095
  528    HZ   PHE  92           HZ       PHE  92   0.751  -8.563  -3.764
  529    HB2  PHE  92           2HB      PHE  92  -4.588  -6.471  -4.743
  530    HB3  PHE  92           3HB      PHE  92  -4.989  -8.074  -4.678
  531    H    ARG  93           H        ARG  93  -5.127  -7.653  -9.143
  532    HA   ARG  93           HA       ARG  93  -5.068  -9.321 -10.667
  533    HE   ARG  93           HE       ARG  93  -0.322  -8.930 -12.032
  534    HB2  ARG  93           2HB      ARG  93  -2.639  -8.689  -9.882
  535    HB3  ARG  93           3HB      ARG  93  -2.616 -10.316  -9.210
  536    HG2  ARG  93           2HG      ARG  93  -3.381 -11.012 -11.682
  537    HG3  ARG  93           3HG      ARG  93  -2.826  -9.403 -12.119
  538    HD2  ARG  93           2HD      ARG  93  -1.151 -11.502 -10.671
  539    HD3  ARG  93           3HD      ARG  93  -1.154 -11.270 -12.414
  540   HH11  ARG  93          1HH1      ARG  93   0.345 -11.204  -9.380
  541   HH12  ARG  93          2HH1      ARG  93   1.805 -10.282  -8.992
  542   HH21  ARG  93          2HH2      ARG  93   1.482  -8.062 -11.504
  543   HH22  ARG  93          1HH2      ARG  93   2.500  -8.667 -10.180
  544    H    GLY  94           H        GLY  94  -6.580 -10.201  -8.218
  545    HA2  GLY  94           2HA      GLY  94  -7.562 -12.672  -8.517
  546    HA3  GLY  94           3HA      GLY  94  -5.950 -13.079  -7.924
  547    H    SER  95           H        SER  95  -5.897 -10.576  -6.104
  548    HA   SER  95           HA       SER  95  -7.861 -11.403  -4.014
  549    HG   SER  95           HG       SER  95  -5.774 -12.418  -2.563
  550    HB2  SER  95           2HB      SER  95  -5.148 -10.002  -3.854
  551    HB3  SER  95           3HB      SER  95  -6.235 -10.323  -2.484
  552    H    VAL  96           H        VAL  96  -7.853  -8.989  -2.703
  553    HA   VAL  96           HA       VAL  96  -7.799  -6.747  -4.528
  554    HB   VAL  96           HB       VAL  96  -9.872  -6.421  -5.028
  555   HG11  VAL  96          1HG1      VAL  96 -10.767  -8.592  -3.187
  556   HG12  VAL  96          2HG1      VAL  96 -11.790  -7.707  -4.354
  557   HG13  VAL  96          3HG1      VAL  96 -10.433  -8.654  -4.956
  558   HG21  VAL  96          3HG2      VAL  96 -11.506  -5.502  -3.593
  559   HG22  VAL  96          1HG2      VAL  96 -10.578  -5.967  -2.160
  560   HG23  VAL  96          2HG2      VAL  96  -9.931  -4.784  -3.318
  561    H    ILE  97           H        ILE  97  -7.501  -4.813  -3.327
  562    HA   ILE  97           HA       ILE  97  -7.168  -5.095  -0.361
  563    HB   ILE  97           HB       ILE  97  -5.410  -3.265  -0.655
  564   HG12  ILE  97          2HG1      ILE  97  -5.190  -4.580  -3.404
  565   HG13  ILE  97          3HG1      ILE  97  -5.691  -2.916  -3.102
  566   HG21  ILE  97          1HG2      ILE  97  -5.043  -5.554   0.225
  567   HG22  ILE  97          2HG2      ILE  97  -4.588  -6.053  -1.407
  568   HG23  ILE  97          3HG2      ILE  97  -3.632  -4.824  -0.525
  569   HD11  ILE  97          3HD1      ILE  97  -2.943  -4.133  -2.657
  570   HD12  ILE  97          1HD1      ILE  97  -3.411  -2.900  -3.839
  571   HD13  ILE  97          2HD1      ILE  97  -3.401  -2.493  -2.105
  572    H    THR  98           H        THR  98  -7.448  -3.304   0.844
  573    HA   THR  98           HA       THR  98  -8.854  -0.897  -0.272
  574    HB   THR  98           HB       THR  98  -9.259  -2.476   2.266
  575    HG1  THR  98           1HG      THR  98 -10.398  -3.307   0.571
  576   HG21  THR  98          1HG2      THR  98 -10.706   0.097   1.519
  577   HG22  THR  98          2HG2      THR  98 -10.947  -0.909   2.972
  578   HG23  THR  98          3HG2      THR  98  -9.446   0.002   2.760
  579    H    VAL  99           H        VAL  99  -7.969   1.006   0.520
  580    HA   VAL  99           HA       VAL  99  -5.697   0.794   2.411
  581    HB   VAL  99           HB       VAL  99  -4.092   1.761   0.962
  582   HG11  VAL  99          1HG1      VAL  99  -3.780   0.012  -0.683
  583   HG12  VAL  99          2HG1      VAL  99  -4.472  -0.707   0.774
  584   HG13  VAL  99          3HG1      VAL  99  -5.483  -0.438  -0.629
  585   HG21  VAL  99          3HG2      VAL  99  -4.628   2.067  -1.461
  586   HG22  VAL  99          1HG2      VAL  99  -6.340   1.870  -1.023
  587   HG23  VAL  99          2HG2      VAL  99  -5.400   3.236  -0.381
  588    H    GLU 100           H        GLU 100  -5.110   2.521   3.429
  589    HA   GLU 100           HA       GLU 100  -6.226   5.216   2.917
  590    HB2  GLU 100           2HB      GLU 100  -7.453   5.388   4.957
  591    HB3  GLU 100           3HB      GLU 100  -8.221   4.194   3.941
  592    HG2  GLU 100           2HG      GLU 100  -6.478   3.681   6.402
  593    HG3  GLU 100           3HG      GLU 100  -8.234   3.749   6.394
  594    H    ARG 101           H        ARG 101  -5.436   6.798   4.320
  595    HA   ARG 101           HA       ARG 101  -2.805   6.379   5.425
  596    HE   ARG 101           HE       ARG 101  -5.044   9.796   8.147
  597    HB2  ARG 101           2HB      ARG 101  -3.203   8.553   6.523
  598    HB3  ARG 101           3HB      ARG 101  -3.278   8.557   4.799
  599    HG2  ARG 101           2HG      ARG 101  -4.898  10.004   5.799
  600    HG3  ARG 101           3HG      ARG 101  -5.606   8.784   4.738
  601    HD2  ARG 101           2HD      ARG 101  -7.022   9.095   6.595
  602    HD3  ARG 101           3HD      ARG 101  -6.325   7.497   6.709
  603   HH11  ARG 101          1HH2      ARG 101  -6.460   6.609   8.601
  604   HH12  ARG 101          2HH2      ARG 101  -6.278   6.699  10.334
  605   HH21  ARG 101          2HH1      ARG 101  -4.695   9.743  10.274
  606   HH22  ARG 101          1HH1      ARG 101  -5.059   8.306  11.207
  607    H    ASP 102           H        ASP 102  -2.178   6.603   7.505
  608    HA   ASP 102           HA       ASP 102  -4.049   5.612   9.615
  609    HB2  ASP 102           2HB      ASP 102  -2.648   3.814   8.235
  610    HB3  ASP 102           3HB      ASP 102  -1.396   4.275   9.376
  611    H    ASP 103           H        ASP 103  -0.636   6.709   9.145
  612    HA   ASP 103           HA       ASP 103  -0.538   7.667  11.942
  613    HB2  ASP 103           2HB      ASP 103   1.428   7.671   9.654
  614    HB3  ASP 103           3HB      ASP 103   1.669   8.723  11.024
  615    H    ASN 104           H        ASN 104  -1.444   9.070   8.870
  616    HA   ASN 104           HA       ASN 104  -1.635  11.779  10.133
  617    HB2  ASN 104           2HB      ASN 104   0.102  11.744   8.421
  618    HB3  ASN 104           3HB      ASN 104  -1.053  11.116   7.235
  619   HD21  ASN 104          1HD2      ASN 104  -3.041  12.549   6.972
  620   HD22  ASN 104          2HD2      ASN 104  -2.721  14.287   6.845
  Start of MODEL   15
    1    HA   PRO  25           HA       PRO  25  10.395  16.073   7.214
    2    HB2  PRO  25           2HB      PRO  25   9.699  14.829   4.514
    3    HB3  PRO  25           3HB      PRO  25  11.094  15.888   4.917
    4    HG2  PRO  25           2HG      PRO  25  11.099  13.078   4.997
    5    HG3  PRO  25           3HG      PRO  25  12.225  14.102   5.933
    6    HD2  PRO  25           2HD      PRO  25  10.226  12.389   7.043
    7    HD3  PRO  25           3HD      PRO  25  11.193  13.618   7.887
    8    H    ALA  26           H        ALA  26   8.910  16.859   4.399
    9    HA   ALA  26           HA       ALA  26   6.958  18.693   5.293
   10    HB1  ALA  26           1HB      ALA  26   7.926  18.626   3.020
   11    HB2  ALA  26           2HB      ALA  26   7.108  17.075   2.707
   12    HB3  ALA  26           3HB      ALA  26   6.152  18.552   2.952
   13    H    LYS  27           H        LYS  27   6.702  15.310   4.434
   14    HA   LYS  27           HA       LYS  27   4.507  14.865   6.317
   15    HB2  LYS  27           2HB      LYS  27   4.199  14.566   3.382
   16    HB3  LYS  27           3HB      LYS  27   3.985  13.036   4.176
   17    HG2  LYS  27           2HG      LYS  27   2.469  15.574   4.891
   18    HG3  LYS  27           3HG      LYS  27   1.906  14.221   3.914
   19    HD2  LYS  27           2HD      LYS  27   2.501  12.774   6.046
   20    HD3  LYS  27           3HD      LYS  27   2.373  14.312   6.897
   21    HE2  LYS  27           2HE      LYS  27   0.222  12.977   5.185
   22    HE3  LYS  27           3HE      LYS  27   0.294  12.980   6.952
   23    HZ1  LYS  27           3HZ      LYS  27  -1.195  14.644   6.293
   24    HZ2  LYS  27           1HZ      LYS  27   0.122  15.455   6.817
   25    HZ3  LYS  27           2HZ      LYS  27  -0.177  15.335   5.197
   26    H    ARG  28           H        ARG  28   4.342  12.442   6.620
   27    HA   ARG  28           HA       ARG  28   6.402  10.633   5.783
   28    HE   ARG  28           HE       ARG  28   7.268   9.233  10.538
   29    HB2  ARG  28           2HB      ARG  28   7.338  10.133   8.050
   30    HB3  ARG  28           3HB      ARG  28   7.861  11.657   7.390
   31    HG2  ARG  28           2HG      ARG  28   6.713  12.944   8.905
   32    HG3  ARG  28           3HG      ARG  28   5.377  11.812   9.071
   33    HD2  ARG  28           2HD      ARG  28   8.166  11.321  10.115
   34    HD3  ARG  28           3HD      ARG  28   6.880  12.034  11.112
   35   HH11  ARG  28          2HH2      ARG  28   4.542  11.428  11.113
   36   HH12  ARG  28          1HH2      ARG  28   3.428  10.054  11.077
   37   HH21  ARG  28          2HH1      ARG  28   5.656   7.638  10.634
   38   HH22  ARG  28          1HH1      ARG  28   3.999   8.179  10.866
   39    H    TYR  29           H        TYR  29   3.717  10.668   5.526
   40    HA   TYR  29           HA       TYR  29   2.122   9.614   7.640
   41    HD1  TYR  29           HD1      TYR  29   0.633   7.210   4.872
   42    HD2  TYR  29           HD2      TYR  29   2.629  10.723   3.326
   43    HE1  TYR  29           HE1      TYR  29   1.236   5.955   2.813
   44    HE2  TYR  29           HE2      TYR  29   3.016   9.569   1.254
   45    HH   TYR  29           HH       TYR  29   2.087   6.069   0.759
   46    HB2  TYR  29           2HB      TYR  29   0.425   9.435   5.946
   47    HB3  TYR  29           3HB      TYR  29   1.427  10.798   5.451
   48    H    ARG  30           H        ARG  30   1.014   7.637   7.738
   49    HA   ARG  30           HA       ARG  30   2.270   5.332   6.343
   50    HE   ARG  30           HE       ARG  30   0.319   2.579   9.808
   51    HB2  ARG  30           2HB      ARG  30   2.912   5.824   8.844
   52    HB3  ARG  30           3HB      ARG  30   1.335   5.183   9.204
   53    HG2  ARG  30           2HG      ARG  30   3.507   3.747   7.595
   54    HG3  ARG  30           3HG      ARG  30   3.400   3.630   9.344
   55    HD2  ARG  30           2HD      ARG  30   1.077   2.820   7.573
   56    HD3  ARG  30           3HD      ARG  30   2.415   1.737   7.895
   57   HH11  ARG  30          2HH2      ARG  30   3.402   0.892   9.540
   58   HH12  ARG  30          1HH2      ARG  30   3.089  -0.019  10.988
   59   HH21  ARG  30          1HH1      ARG  30  -0.001   1.447  11.503
   60   HH22  ARG  30          2HH1      ARG  30   1.182   0.292  12.122
   61    H    ILE  31           H        ILE  31   0.845   3.981   5.406
   62    HA   ILE  31           HA       ILE  31  -2.080   4.207   6.021
   63    HB   ILE  31           HB       ILE  31  -2.603   3.450   3.744
   64   HG12  ILE  31          2HG1      ILE  31   0.312   3.857   3.076
   65   HG13  ILE  31          3HG1      ILE  31  -0.483   2.281   3.259
   66   HG21  ILE  31          1HG2      ILE  31  -0.962   5.986   3.706
   67   HG22  ILE  31          2HG2      ILE  31  -2.202   5.503   2.536
   68   HG23  ILE  31          3HG2      ILE  31  -2.660   5.823   4.193
   69   HD11  ILE  31          3HD1      ILE  31  -2.064   2.919   1.412
   70   HD12  ILE  31          1HD1      ILE  31  -0.993   4.315   1.092
   71   HD13  ILE  31          2HD1      ILE  31  -0.372   2.669   0.935
   72    H    THR  32           H        THR  32  -3.291   2.340   5.688
   73    HA   THR  32           HA       THR  32  -1.832  -0.263   6.074
   74    HB   THR  32           HB       THR  32  -4.497   0.764   7.084
   75    HG1  THR  32           1HG      THR  32  -3.486   0.617   9.048
   76   HG21  THR  32          1HG2      THR  32  -3.375  -2.086   7.269
   77   HG22  THR  32          2HG2      THR  32  -4.678  -1.466   8.309
   78   HG23  THR  32          3HG2      THR  32  -4.923  -1.578   6.566
   79    H    MET  33           H        MET  33  -2.563  -2.004   4.978
   80    HA   MET  33           HA       MET  33  -4.673  -1.691   2.981
   81    HB2  MET  33           2HB      MET  33  -1.928  -2.842   2.253
   82    HB3  MET  33           3HB      MET  33  -3.244  -2.428   1.165
   83    HG2  MET  33           2HG      MET  33  -2.829   0.006   2.171
   84    HG3  MET  33           3HG      MET  33  -1.280  -0.663   2.608
   85    HE1  MET  33           3HE      MET  33  -0.253  -1.613  -1.260
   86    HE2  MET  33           1HE      MET  33  -0.195  -2.241   0.406
   87    HE3  MET  33           2HE      MET  33  -1.650  -2.468  -0.568
   88    H    LYS  34           H        LYS  34  -6.056  -3.261   3.225
   89    HA   LYS  34           HA       LYS  34  -5.251  -6.103   3.342
   90    HB2  LYS  34           2HB      LYS  34  -7.325  -6.080   5.252
   91    HB3  LYS  34           3HB      LYS  34  -5.810  -6.500   5.443
   92    HG2  LYS  34           2HG      LYS  34  -6.471  -4.941   7.203
   93    HG3  LYS  34           3HG      LYS  34  -5.527  -3.863   6.151
   94    HD2  LYS  34           2HD      LYS  34  -7.675  -3.300   4.932
   95    HD3  LYS  34           3HD      LYS  34  -8.560  -4.376   5.969
   96    HE2  LYS  34           2HE      LYS  34  -8.101  -2.973   7.922
   97    HE3  LYS  34           3HE      LYS  34  -7.035  -1.931   6.967
   98    HZ1  LYS  34           3HZ      LYS  34  -8.896  -1.246   5.630
   99    HZ2  LYS  34           1HZ      LYS  34  -9.938  -2.276   6.405
  100    HZ3  LYS  34           2HZ      LYS  34  -9.268  -0.967   7.150
  101    H    ASN  35           H        ASN  35  -7.056  -7.523   3.131
  102    HA   ASN  35           HA       ASN  35  -9.464  -6.738   3.790
  103    HB2  ASN  35           2HB      ASN  35  -9.890  -5.292   2.033
  104    HB3  ASN  35           3HB      ASN  35  -9.262  -6.339   0.788
  105   HD21  ASN  35          1HD2      ASN  35 -10.670  -8.213   0.143
  106   HD22  ASN  35          2HD2      ASN  35 -12.392  -7.914   0.192
  107    H    LEU  36           H        LEU  36  -8.440  -8.775   0.983
  108    HA   LEU  36           HA       LEU  36 -10.368 -10.874   1.546
  109    HG   LEU  36           HG       LEU  36 -10.302 -12.651  -0.078
  110    HB2  LEU  36           2HB      LEU  36  -9.437 -10.143  -0.661
  111    HB3  LEU  36           3HB      LEU  36  -7.897 -10.868  -0.246
  112   HD11  LEU  36          1HD1      LEU  36 -10.981 -11.530  -2.037
  113   HD12  LEU  36          2HD1      LEU  36  -9.360 -11.630  -2.751
  114   HD13  LEU  36          3HD1      LEU  36 -10.321 -13.100  -2.501
  115   HD21  LEU  36          3HD2      LEU  36  -7.927 -13.476   0.216
  116   HD22  LEU  36          1HD2      LEU  36  -8.784 -14.281  -1.098
  117   HD23  LEU  36          2HD2      LEU  36  -7.597 -13.010  -1.449
  118    HA   PRO  37           HA       PRO  37  -7.849 -13.451   4.356
  119    HB2  PRO  37           2HB      PRO  37  -8.849 -15.735   2.635
  120    HB3  PRO  37           3HB      PRO  37  -8.678 -15.644   4.417
  121    HG2  PRO  37           2HG      PRO  37 -11.091 -15.222   3.314
  122    HG3  PRO  37           3HG      PRO  37 -10.507 -14.067   4.563
  123    HD2  PRO  37           2HD      PRO  37 -10.377 -13.828   1.557
  124    HD3  PRO  37           3HD      PRO  37 -10.985 -12.616   2.735
  125    H    GLU  38           H        GLU  38  -6.100 -12.368   3.432
  126    HA   GLU  38           HA       GLU  38  -4.070 -13.846   1.797
  127    HB2  GLU  38           2HB      GLU  38  -5.290 -12.141   0.461
  128    HB3  GLU  38           3HB      GLU  38  -5.011 -10.942   1.723
  129    HG2  GLU  38           2HG      GLU  38  -3.607 -10.558  -0.204
  130    HG3  GLU  38           3HG      GLU  38  -2.650 -10.855   1.239
  131    H    GLY  39           H        GLY  39  -1.952 -13.269   2.376
  132    HA2  GLY  39           2HA      GLY  39  -1.563 -11.597   4.831
  133    HA3  GLY  39           3HA      GLY  39  -0.810 -13.164   4.710
  134    H    CYS  40           H        CYS  40  -0.743 -12.228   1.624
  135    HA   CYS  40           HA       CYS  40   0.937 -11.838   0.245
  136    HG   CYS  40           HG       CYS  40   0.323  -9.483   2.995
  137    HB2  CYS  40           2HB      CYS  40   1.245  -9.392  -0.110
  138    HB3  CYS  40           3HB      CYS  40  -0.416  -9.855   0.133
  139    H    SER  41           H        SER  41   2.879  -9.524   0.781
  140    HA   SER  41           HA       SER  41   4.631  -9.986   2.921
  141    HG   SER  41           HG       SER  41   4.723 -12.470   2.050
  142    HB2  SER  41           2HB      SER  41   5.533 -11.109   0.237
  143    HB3  SER  41           3HB      SER  41   6.685 -10.528   1.457
  144    H    TRP  42           H        TRP  42   6.618  -8.386   2.621
  145    HA   TRP  42           HA       TRP  42   5.640  -6.051   1.358
  146    HD1  TRP  42           HD1      TRP  42  10.087  -4.513   2.018
  147    HE1  TRP  42           HE1      TRP  42  10.043  -2.288   0.745
  148    HE3  TRP  42           HE3      TRP  42   5.067  -4.267   0.851
  149    HZ2  TRP  42           HZ2      TRP  42   8.147  -0.766  -0.831
  150    HZ3  TRP  42           HZ3      TRP  42   4.241  -2.557  -0.659
  151    HH2  TRP  42           HH2      TRP  42   5.702  -0.839  -1.538
  152    HB2  TRP  42           2HB      TRP  42   7.280  -5.854   3.104
  153    HB3  TRP  42           3HB      TRP  42   8.503  -6.612   2.111
  154    H    GLN  43           H        GLN  43   7.952  -8.477   0.085
  155    HA   GLN  43           HA       GLN  43   8.321  -7.198  -2.336
  156    HB2  GLN  43           2HB      GLN  43   8.775  -9.471  -3.318
  157    HB3  GLN  43           3HB      GLN  43   9.638  -9.193  -1.806
  158    HG2  GLN  43           2HG      GLN  43   8.315 -10.709  -0.597
  159    HG3  GLN  43           3HG      GLN  43   6.936 -10.552  -1.674
  160   HE21  GLN  43          1HE2      GLN  43   6.581 -12.147  -3.182
  161   HE22  GLN  43          2HE2      GLN  43   7.810 -13.342  -3.614
  162    H    ASP  44           H        ASP  44   5.409  -8.624  -1.352
  163    HA   ASP  44           HA       ASP  44   4.402  -9.093  -4.091
  164    HB2  ASP  44           2HB      ASP  44   3.350  -9.544  -1.275
  165    HB3  ASP  44           3HB      ASP  44   2.446  -9.775  -2.727
  166    H    LEU  45           H        LEU  45   3.740  -7.069  -1.201
  167    HA   LEU  45           HA       LEU  45   1.699  -5.508  -2.542
  168    HG   LEU  45           HG       LEU  45   1.327  -6.810   0.002
  169    HB2  LEU  45           2HB      LEU  45   3.307  -5.338   0.008
  170    HB3  LEU  45           3HB      LEU  45   2.319  -3.990  -0.508
  171   HD11  LEU  45          1HD1      LEU  45   0.287  -5.619   1.998
  172   HD12  LEU  45          2HD1      LEU  45   2.054  -5.534   1.988
  173   HD13  LEU  45          3HD1      LEU  45   1.119  -4.117   1.453
  174   HD21  LEU  45          3HD2      LEU  45  -0.212  -4.267  -0.688
  175   HD22  LEU  45          1HD2      LEU  45  -0.199  -5.759  -1.614
  176   HD23  LEU  45          2HD2      LEU  45  -0.969  -5.724  -0.022
  177    H    LYS  46           H        LYS  46   5.194  -5.258  -2.295
  178    HA   LYS  46           HA       LYS  46   5.604  -2.574  -3.558
  179    HB2  LYS  46           2HB      LYS  46   7.248  -3.965  -2.169
  180    HB3  LYS  46           3HB      LYS  46   7.274  -5.155  -3.468
  181    HG2  LYS  46           2HG      LYS  46   8.033  -2.247  -3.815
  182    HG3  LYS  46           3HG      LYS  46   9.177  -3.462  -3.287
  183    HD2  LYS  46           2HD      LYS  46   7.736  -3.684  -5.978
  184    HD3  LYS  46           3HD      LYS  46   9.206  -2.800  -5.668
  185    HE2  LYS  46           2HE      LYS  46  10.051  -4.821  -6.432
  186    HE3  LYS  46           3HE      LYS  46  10.110  -5.067  -4.686
  187    HZ1  LYS  46           3HZ      LYS  46   7.957  -6.344  -4.946
  188    HZ2  LYS  46           1HZ      LYS  46   8.049  -6.163  -6.574
  189    HZ3  LYS  46           2HZ      LYS  46   9.185  -6.994  -5.789
  190    H    ASP  47           H        ASP  47   5.445  -5.973  -4.725
  191    HA   ASP  47           HA       ASP  47   5.463  -5.096  -7.452
  192    HB2  ASP  47           2HB      ASP  47   5.036  -7.630  -6.029
  193    HB3  ASP  47           3HB      ASP  47   3.836  -7.435  -7.272
  194    H    LEU  48           H        LEU  48   2.542  -5.793  -5.457
  195    HA   LEU  48           HA       LEU  48   0.822  -4.778  -7.423
  196    HG   LEU  48           HG       LEU  48  -1.384  -4.051  -6.895
  197    HB2  LEU  48           2HB      LEU  48  -0.093  -5.953  -5.640
  198    HB3  LEU  48           3HB      LEU  48   0.352  -4.718  -4.453
  199   HD11  LEU  48          1HD1      LEU  48  -2.332  -5.148  -4.239
  200   HD12  LEU  48          2HD1      LEU  48  -3.383  -4.296  -5.378
  201   HD13  LEU  48          3HD1      LEU  48  -2.602  -5.778  -5.901
  202   HD21  LEU  48          3HD2      LEU  48  -2.325  -2.469  -5.047
  203   HD22  LEU  48          1HD2      LEU  48  -0.738  -2.733  -4.306
  204   HD23  LEU  48          2HD2      LEU  48  -0.895  -2.077  -5.969
  205    H    ALA  49           H        ALA  49   2.299  -2.833  -4.783
  206    HA   ALA  49           HA       ALA  49   1.163  -0.374  -5.442
  207    HB1  ALA  49           1HB      ALA  49   2.338  -0.715  -3.451
  208    HB2  ALA  49           2HB      ALA  49   3.824  -1.254  -4.296
  209    HB3  ALA  49           3HB      ALA  49   3.334   0.444  -4.336
  210    H    ARG  50           H        ARG  50   4.001  -1.936  -6.872
  211    HA   ARG  50           HA       ARG  50   4.526   0.245  -8.741
  212    HE   ARG  50           HE       ARG  50   8.379   0.602  -6.099
  213    HB2  ARG  50           2HB      ARG  50   5.759  -2.500  -8.257
  214    HB3  ARG  50           3HB      ARG  50   6.235  -1.427  -9.575
  215    HG2  ARG  50           2HG      ARG  50   7.759  -0.840  -7.954
  216    HG3  ARG  50           3HG      ARG  50   6.505   0.389  -7.791
  217    HD2  ARG  50           2HD      ARG  50   5.665  -0.520  -5.784
  218    HD3  ARG  50           3HD      ARG  50   6.992  -1.685  -5.785
  219   HH11  ARG  50          1HH1      ARG  50   5.823   0.066  -3.764
  220   HH12  ARG  50          2HH1      ARG  50   6.564   1.130  -2.592
  221   HH21  ARG  50          1HH2      ARG  50   9.235   1.854  -4.670
  222   HH22  ARG  50          2HH2      ARG  50   8.541   2.093  -3.066
  223    H    GLU  51           H        GLU  51   2.523  -2.616  -8.854
  224    HA   GLU  51           HA       GLU  51   1.822  -2.562 -11.643
  225    HB2  GLU  51           2HB      GLU  51  -0.090  -3.148  -9.365
  226    HB3  GLU  51           3HB      GLU  51  -0.409  -3.384 -10.987
  227    HG2  GLU  51           2HG      GLU  51   1.961  -4.710  -9.669
  228    HG3  GLU  51           3HG      GLU  51   0.431  -5.362  -9.370
  229    H    ASN  52           H        ASN  52   0.866  -0.810  -8.879
  230    HA   ASN  52           HA       ASN  52  -1.352   0.650 -10.128
  231    HB2  ASN  52           2HB      ASN  52  -0.381  -0.309  -7.444
  232    HB3  ASN  52           3HB      ASN  52  -1.291   1.082  -7.404
  233   HD21  ASN  52          2HD2      ASN  52  -1.319  -2.287  -8.049
  234   HD22  ASN  52          1HD2      ASN  52  -3.072  -2.449  -8.166
  235    H    SER  53           H        SER  53   1.875   1.356  -9.477
  236    HA   SER  53           HA       SER  53   3.054   3.121 -10.298
  237    HG   SER  53           HG       SER  53   0.474   3.158 -11.903
  238    HB2  SER  53           2HB      SER  53   0.571   4.866 -10.361
  239    HB3  SER  53           3HB      SER  53   2.180   5.243 -10.977
  240    H    LEU  54           H        LEU  54   1.991   2.517  -7.418
  241    HA   LEU  54           HA       LEU  54   2.819   4.913  -5.910
  242    HG   LEU  54           HG       LEU  54   0.427   2.489  -5.053
  243    HB2  LEU  54           2HB      LEU  54   2.626   2.001  -5.347
  244    HB3  LEU  54           3HB      LEU  54   3.209   3.014  -4.114
  245   HD11  LEU  54          1HD1      LEU  54   1.509   3.165  -2.264
  246   HD12  LEU  54          2HD1      LEU  54  -0.033   2.403  -2.672
  247   HD13  LEU  54          3HD1      LEU  54   1.477   1.536  -2.918
  248   HD21  LEU  54          3HD2      LEU  54  -0.501   4.508  -4.147
  249   HD22  LEU  54          1HD2      LEU  54   1.109   5.137  -3.726
  250   HD23  LEU  54          2HD2      LEU  54   0.606   4.938  -5.427
  251    H    GLU  55           H        GLU  55   4.731   5.148  -5.055
  252    HA   GLU  55           HA       GLU  55   6.859   3.216  -5.198
  253    HB2  GLU  55           2HB      GLU  55   7.242   4.441  -7.261
  254    HB3  GLU  55           3HB      GLU  55   7.365   5.961  -6.358
  255    HG2  GLU  55           2HG      GLU  55   9.444   5.517  -5.791
  256    HG3  GLU  55           3HG      GLU  55   9.030   4.118  -4.918
  257    H    THR  56           H        THR  56   5.827   3.335  -3.181
  258    HA   THR  56           HA       THR  56   6.246   5.431  -1.238
  259    HB   THR  56           HB       THR  56   5.580   3.660   0.331
  260    HG1  THR  56           1HG      THR  56   5.482   1.591  -0.329
  261   HG21  THR  56          1HG2      THR  56   3.372   2.985  -0.612
  262   HG22  THR  56          2HG2      THR  56   3.714   4.711  -0.565
  263   HG23  THR  56          3HG2      THR  56   3.826   3.819  -2.103
  264    H    THR  57           H        THR  57   7.580   4.949   0.790
  265    HA   THR  57           HA       THR  57  10.352   4.376   0.134
  266    HB   THR  57           HB       THR  57   9.091   4.447   2.907
  267    HG1  THR  57           1HG      THR  57   9.076   6.554   2.865
  268   HG21  THR  57          1HG2      THR  57  11.449   3.806   2.893
  269   HG22  THR  57          2HG2      THR  57  11.862   5.248   1.933
  270   HG23  THR  57          3HG2      THR  57  11.243   5.416   3.593
  271    H    PHE  58           H        PHE  58   7.775   2.768   1.989
  272    HA   PHE  58           HA       PHE  58   8.896   0.097   1.833
  273    HD1  PHE  58           HD2      PHE  58   8.923   3.341   4.979
  274    HD2  PHE  58           HD1      PHE  58   8.864  -0.919   5.644
  275    HE1  PHE  58           HE2      PHE  58   8.073   3.699   7.286
  276    HE2  PHE  58           HE1      PHE  58   7.996  -0.554   7.935
  277    HZ   PHE  58           HZ       PHE  58   7.592   1.760   8.757
  278    HB2  PHE  58           2HB      PHE  58  10.020   0.036   3.756
  279    HB3  PHE  58           3HB      PHE  58  10.209   1.733   3.551
  280    H    SER  59           H        SER  59   7.746  -1.377   3.423
  281    HA   SER  59           HA       SER  59   5.255  -0.316   4.577
  282    HG   SER  59           HG       SER  59   3.235  -2.969   3.160
  283    HB2  SER  59           2HB      SER  59   4.459  -1.091   2.526
  284    HB3  SER  59           3HB      SER  59   5.384  -2.574   2.639
  285    H    SER  60           H        SER  60   4.544  -1.415   6.307
  286    HA   SER  60           HA       SER  60   6.198  -3.478   7.676
  287    HG   SER  60           HG       SER  60   5.543  -0.751   8.461
  288    HB2  SER  60           2HB      SER  60   3.628  -2.007   8.367
  289    HB3  SER  60           3HB      SER  60   4.416  -3.200   9.428
  290    H    VAL  61           H        VAL  61   5.895  -5.516   6.842
  291    HA   VAL  61           HA       VAL  61   3.134  -6.586   6.507
  292    HB   VAL  61           HB       VAL  61   5.270  -7.389   4.525
  293   HG11  VAL  61          1HG1      VAL  61   3.303  -8.839   4.495
  294   HG12  VAL  61          2HG1      VAL  61   2.217  -7.433   4.534
  295   HG13  VAL  61          3HG1      VAL  61   3.164  -7.782   3.105
  296   HG21  VAL  61          3HG2      VAL  61   5.120  -5.004   4.112
  297   HG22  VAL  61          1HG2      VAL  61   4.217  -5.860   2.859
  298   HG23  VAL  61          2HG2      VAL  61   3.344  -5.078   4.175
  299    H    ASN  62           H        ASN  62   3.223  -9.027   6.327
  300    HA   ASN  62           HA       ASN  62   3.633 -11.065   7.073
  301    HB2  ASN  62           2HB      ASN  62   6.507 -10.117   7.004
  302    HB3  ASN  62           3HB      ASN  62   6.084 -11.726   7.562
  303   HD21  ASN  62          1HD2      ASN  62   7.049 -10.117   4.819
  304   HD22  ASN  62          2HD2      ASN  62   6.378 -11.310   3.682
  305    H    THR  63           H        THR  63   3.721  -8.561   9.221
  306    HA   THR  63           HA       THR  63   3.990 -10.106  11.693
  307    HB   THR  63           HB       THR  63   2.558  -8.150  12.590
  308    HG1  THR  63           1HG      THR  63   1.694  -7.106  10.980
  309   HG21  THR  63          1HG2      THR  63   5.010  -8.258  12.853
  310   HG22  THR  63          2HG2      THR  63   5.228  -7.506  11.258
  311   HG23  THR  63          3HG2      THR  63   4.460  -6.598  12.577
  312    H    ARG  64           H        ARG  64   2.262 -11.078  12.880
  313    HA   ARG  64           HA       ARG  64   0.239 -12.219  11.109
  314    HE   ARG  64           HE       ARG  64  -0.951 -16.698  11.518
  315    HB2  ARG  64           2HB      ARG  64   1.737 -13.423  12.907
  316    HB3  ARG  64           3HB      ARG  64   0.496 -12.916  14.041
  317    HG2  ARG  64           2HG      ARG  64  -0.127 -15.103  13.372
  318    HG3  ARG  64           3HG      ARG  64  -1.204 -14.052  12.441
  319    HD2  ARG  64           2HD      ARG  64   0.446 -14.253  10.508
  320    HD3  ARG  64           3HD      ARG  64   1.325 -15.449  11.453
  321   HH11  ARG  64          2HH2      ARG  64   0.012 -14.813   8.709
  322   HH12  ARG  64          1HH2      ARG  64  -1.023 -15.707   7.645
  323   HH21  ARG  64          1HH1      ARG  64  -2.312 -17.739  10.074
  324   HH22  ARG  64          2HH1      ARG  64  -2.399 -17.165   8.426
  325    H    ASP  65           H        ASP  65  -0.410  -9.873  11.060
  326    HA   ASP  65           HA       ASP  65  -1.863  -8.346  12.795
  327    HB2  ASP  65           2HB      ASP  65  -2.142  -8.840   9.802
  328    HB3  ASP  65           3HB      ASP  65  -2.898  -7.497  10.578
  329    H    PHE  66           H        PHE  66  -3.165 -10.776  10.700
  330    HA   PHE  66           HA       PHE  66  -5.365 -11.600  12.338
  331    HD1  PHE  66           HD1      PHE  66  -4.963  -8.845   9.047
  332    HD2  PHE  66           HD2      PHE  66  -7.544 -12.296   8.881
  333    HE1  PHE  66           HE1      PHE  66  -4.731  -8.927   6.557
  334    HE2  PHE  66           HE2      PHE  66  -7.315 -12.353   6.415
  335    HZ   PHE  66           HZ       PHE  66  -5.859 -10.686   5.258
  336    HB2  PHE  66           2HB      PHE  66  -7.217 -11.124  10.959
  337    HB3  PHE  66           3HB      PHE  66  -6.368  -9.593  11.033
  338    H    ASP  67           H        ASP  67  -3.857 -11.438   9.200
  339    HA   ASP  67           HA       ASP  67  -2.787 -14.140   9.341
  340    HB2  ASP  67           2HB      ASP  67  -4.940 -14.296   7.956
  341    HB3  ASP  67           3HB      ASP  67  -4.177 -13.219   6.786
  342    H    GLY  68           H        GLY  68  -3.204 -11.231   7.237
  343    HA2  GLY  68           2HA      GLY  68  -0.996  -9.857   8.236
  344    HA3  GLY  68           3HA      GLY  68  -0.401 -10.674   6.835
  345    H    THR  69           H        THR  69  -1.154  -7.862   7.700
  346    HA   THR  69           HA       THR  69  -2.523  -6.899   5.207
  347    HB   THR  69           HB       THR  69  -3.183  -4.980   6.298
  348    HG1  THR  69           1HG      THR  69  -1.404  -5.714   8.393
  349   HG21  THR  69          1HG2      THR  69  -4.559  -6.823   7.129
  350   HG22  THR  69          2HG2      THR  69  -3.473  -7.050   8.494
  351   HG23  THR  69          3HG2      THR  69  -4.386  -5.540   8.338
  352    H    GLY  70           H        GLY  70  -1.498  -4.740   4.575
  353    HA2  GLY  70           2HA      GLY  70   1.455  -4.661   5.112
  354    HA3  GLY  70           3HA      GLY  70   0.726  -4.084   3.610
  355    H    ALA  71           H        ALA  71   2.290  -2.555   5.570
  356    HA   ALA  71           HA       ALA  71   0.337  -0.367   5.503
  357    HB1  ALA  71           1HB      ALA  71   1.865  -0.881   8.077
  358    HB2  ALA  71           2HB      ALA  71   0.537   0.264   7.791
  359    HB3  ALA  71           3HB      ALA  71   0.214  -1.459   7.790
  360    H    LEU  72           H        LEU  72   1.156   1.017   4.209
  361    HA   LEU  72           HA       LEU  72   3.984   0.995   3.434
  362    HG   LEU  72           HG       LEU  72   1.809   1.036   0.395
  363    HB2  LEU  72           2HB      LEU  72   1.565   2.292   2.336
  364    HB3  LEU  72           3HB      LEU  72   3.110   2.614   1.742
  365   HD11  LEU  72          1HD1      LEU  72   3.876  -0.729   0.558
  366   HD12  LEU  72          2HD1      LEU  72   3.804   0.715  -0.402
  367   HD13  LEU  72          3HD1      LEU  72   4.604   0.748   1.198
  368   HD21  LEU  72          3HD2      LEU  72   1.662  -1.306   0.961
  369   HD22  LEU  72          1HD2      LEU  72   2.260  -0.970   2.592
  370   HD23  LEU  72          2HD2      LEU  72   0.727  -0.285   2.083
  371    H    GLU  73           H        GLU  73   5.156   3.003   3.194
  372    HA   GLU  73           HA       GLU  73   4.081   5.488   4.567
  373    HB2  GLU  73           2HB      GLU  73   5.509   4.300   6.133
  374    HB3  GLU  73           3HB      GLU  73   6.792   4.189   4.941
  375    HG2  GLU  73           2HG      GLU  73   6.025   6.992   5.554
  376    HG3  GLU  73           3HG      GLU  73   6.551   6.085   6.954
  377    H    PHE  74           H        PHE  74   4.850   7.515   3.794
  378    HA   PHE  74           HA       PHE  74   7.165   7.605   2.065
  379    HD1  PHE  74           HD1      PHE  74   7.546   6.749  -0.001
  380    HD2  PHE  74           HD2      PHE  74   5.763  10.570  -0.706
  381    HE1  PHE  74           HE1      PHE  74   9.320   7.248  -1.672
  382    HE2  PHE  74           HE2      PHE  74   7.562  11.129  -2.311
  383    HZ   PHE  74           HZ       PHE  74   9.345   9.463  -2.812
  384    HB2  PHE  74           2HB      PHE  74   4.777   7.555   0.596
  385    HB3  PHE  74           3HB      PHE  74   4.955   9.233   0.968
  386    HA   PRO  75           HA       PRO  75   7.428  11.668   4.006
  387    HB2  PRO  75           2HB      PRO  75   9.301  12.937   2.418
  388    HB3  PRO  75           3HB      PRO  75   9.666  11.700   3.658
  389    HG2  PRO  75           2HG      PRO  75   9.257  11.271   0.677
  390    HG3  PRO  75           3HG      PRO  75  10.626  10.711   1.702
  391    HD2  PRO  75           2HD      PRO  75   8.618   9.051   1.172
  392    HD3  PRO  75           3HD      PRO  75   9.250   9.129   2.821
  393    H    SER  76           H        SER  76   5.830  11.257   0.984
  394    HA   SER  76           HA       SER  76   4.695  13.988   1.361
  395    HG   SER  76           HG       SER  76   6.318  14.801  -1.628
  396    HB2  SER  76           2HB      SER  76   5.156  12.676  -1.303
  397    HB3  SER  76           3HB      SER  76   4.303  14.187  -1.039
  398    H    GLU  77           H        GLU  77   2.612  13.980   1.676
  399    HA   GLU  77           HA       GLU  77   0.976  11.730   1.519
  400    HB2  GLU  77           2HB      GLU  77  -0.961  13.333   1.638
  401    HB3  GLU  77           3HB      GLU  77   0.251  13.486   2.892
  402    HG2  GLU  77           2HG      GLU  77   1.267  15.414   1.553
  403    HG3  GLU  77           3HG      GLU  77  -0.066  15.248   0.415
  404    H    GLU  78           H        GLU  78   2.102  13.501  -1.148
  405    HA   GLU  78           HA       GLU  78   0.170  13.158  -3.145
  406    HB2  GLU  78           2HB      GLU  78   3.180  12.609  -3.222
  407    HB3  GLU  78           3HB      GLU  78   2.161  12.817  -4.652
  408    HG2  GLU  78           2HG      GLU  78   1.718  15.143  -4.062
  409    HG3  GLU  78           3HG      GLU  78   2.543  14.967  -2.514
  410    H    ILE  79           H        ILE  79   2.526  10.724  -1.923
  411    HA   ILE  79           HA       ILE  79   1.531   8.589  -3.619
  412    HB   ILE  79           HB       ILE  79   3.450   8.487  -1.266
  413   HG12  ILE  79          2HG1      ILE  79   3.729   9.527  -4.024
  414   HG13  ILE  79          3HG1      ILE  79   4.570   9.943  -2.586
  415   HG21  ILE  79          1HG2      ILE  79   4.337   6.413  -2.153
  416   HG22  ILE  79          2HG2      ILE  79   2.607   6.228  -1.950
  417   HG23  ILE  79          3HG2      ILE  79   3.265   6.509  -3.580
  418   HD11  ILE  79          3HD1      ILE  79   6.121   9.081  -4.207
  419   HD12  ILE  79          1HD1      ILE  79   5.994   7.868  -2.924
  420   HD13  ILE  79          2HD1      ILE  79   5.156   7.622  -4.470
  421    H    LEU  80           H        LEU  80   0.872   9.652  -0.336
  422    HA   LEU  80           HA       LEU  80  -0.614   7.407   0.571
  423    HG   LEU  80           HG       LEU  80  -2.857  10.022   1.577
  424    HB2  LEU  80           2HB      LEU  80  -0.088   8.887   2.230
  425    HB3  LEU  80           3HB      LEU  80  -0.398  10.295   1.302
  426   HD11  LEU  80          1HD1      LEU  80  -2.085   8.065   3.754
  427   HD12  LEU  80          2HD1      LEU  80  -3.715   8.615   3.318
  428   HD13  LEU  80          3HD1      LEU  80  -2.809   7.587   2.195
  429   HD21  LEU  80          3HD2      LEU  80  -1.609  11.560   3.008
  430   HD22  LEU  80          1HD2      LEU  80  -2.897  10.754   3.914
  431   HD23  LEU  80          2HD2      LEU  80  -1.211  10.231   4.124
  432    H    VAL  81           H        VAL  81  -1.590  10.419  -1.095
  433    HA   VAL  81           HA       VAL  81  -4.450   9.831  -1.039
  434    HB   VAL  81           HB       VAL  81  -2.756  11.914  -2.532
  435   HG11  VAL  81          1HG1      VAL  81  -4.880  13.161  -2.945
  436   HG12  VAL  81          2HG1      VAL  81  -4.813  11.640  -3.835
  437   HG13  VAL  81          3HG1      VAL  81  -5.799  11.758  -2.357
  438   HG21  VAL  81          3HG2      VAL  81  -4.675  12.263  -0.187
  439   HG22  VAL  81          1HG2      VAL  81  -2.911  12.182  -0.038
  440   HG23  VAL  81          2HG2      VAL  81  -3.644  13.516  -0.936
  441    H    GLU  82           H        GLU  82  -1.825   9.501  -3.432
  442    HA   GLU  82           HA       GLU  82  -3.302   8.476  -5.534
  443    HB2  GLU  82           2HB      GLU  82  -0.597   8.296  -4.217
  444    HB3  GLU  82           3HB      GLU  82  -1.019   6.998  -5.169
  445    HG2  GLU  82           2HG      GLU  82  -0.432   9.821  -5.908
  446    HG3  GLU  82           3HG      GLU  82   0.206   8.327  -6.570
  447    H    ALA  83           H        ALA  83  -1.619   6.471  -2.969
  448    HA   ALA  83           HA       ALA  83  -2.872   4.054  -3.609
  449    HB1  ALA  83           1HB      ALA  83  -0.995   4.424  -1.985
  450    HB2  ALA  83           2HB      ALA  83  -2.199   4.926  -0.790
  451    HB3  ALA  83           3HB      ALA  83  -2.237   3.271  -1.462
  452    H    LEU  84           H        LEU  84  -4.215   6.520  -1.486
  453    HA   LEU  84           HA       LEU  84  -6.518   4.993  -0.543
  454    HG   LEU  84           HG       LEU  84  -4.723   7.747   1.073
  455    HB2  LEU  84           2HB      LEU  84  -6.041   7.999  -0.641
  456    HB3  LEU  84           3HB      LEU  84  -7.417   7.279   0.068
  457   HD11  LEU  84          1HD1      LEU  84  -5.893   7.775   3.197
  458   HD12  LEU  84          2HD1      LEU  84  -6.741   8.723   1.972
  459   HD13  LEU  84          3HD1      LEU  84  -7.352   7.110   2.417
  460   HD21  LEU  84          3HD2      LEU  84  -6.000   5.062   1.578
  461   HD22  LEU  84          1HD2      LEU  84  -4.392   5.369   0.906
  462   HD23  LEU  84          2HD2      LEU  84  -4.691   5.791   2.597
  463    H    GLU  85           H        GLU  85  -5.932   6.972  -3.410
  464    HA   GLU  85           HA       GLU  85  -8.711   6.410  -4.215
  465    HB2  GLU  85           2HB      GLU  85  -6.515   8.077  -5.511
  466    HB3  GLU  85           3HB      GLU  85  -8.158   7.905  -6.149
  467    HG2  GLU  85           2HG      GLU  85  -9.107   9.041  -4.241
  468    HG3  GLU  85           3HG      GLU  85  -7.532   9.153  -3.458
  469    H    ARG  86           H        ARG  86  -5.681   4.829  -4.583
  470    HA   ARG  86           HA       ARG  86  -6.208   3.892  -7.373
  471    HE   ARG  86           HE       ARG  86  -3.570   7.795  -8.602
  472    HB2  ARG  86           2HB      ARG  86  -3.805   4.673  -5.759
  473    HB3  ARG  86           3HB      ARG  86  -3.532   3.371  -6.668
  474    HG2  ARG  86           2HG      ARG  86  -2.885   5.472  -7.815
  475    HG3  ARG  86           3HG      ARG  86  -4.119   4.641  -8.781
  476    HD2  ARG  86           2HD      ARG  86  -5.884   6.042  -7.939
  477    HD3  ARG  86           3HD      ARG  86  -4.808   6.704  -6.696
  478   HH11  ARG  86          2HH1      ARG  86  -7.089   7.602  -8.466
  479   HH12  ARG  86          1HH1      ARG  86  -7.195   9.266  -7.905
  480   HH21  ARG  86          2HH2      ARG  86  -3.917   9.970  -8.100
  481   HH22  ARG  86          1HH2      ARG  86  -5.568  10.534  -7.886
  482    H    LEU  87           H        LEU  87  -5.631   2.783  -4.084
  483    HA   LEU  87           HA       LEU  87  -5.933  -0.012  -4.917
  484    HG   LEU  87           HG       LEU  87  -3.520  -0.536  -4.890
  485    HB2  LEU  87           2HB      LEU  87  -4.293   1.352  -2.749
  486    HB3  LEU  87           3HB      LEU  87  -4.664  -0.319  -2.742
  487   HD11  LEU  87          1HD1      LEU  87  -3.113   2.324  -4.693
  488   HD12  LEU  87          2HD1      LEU  87  -1.802   1.337  -5.351
  489   HD13  LEU  87          3HD1      LEU  87  -3.426   1.215  -6.075
  490   HD21  LEU  87          3HD2      LEU  87  -1.850   0.688  -2.662
  491   HD22  LEU  87          1HD2      LEU  87  -2.334  -1.021  -2.775
  492   HD23  LEU  87          2HD2      LEU  87  -1.218  -0.347  -3.968
  493    H    ASN  88           H        ASN  88  -7.795   2.392  -3.506
  494    HA   ASN  88           HA       ASN  88  -8.727   0.957  -1.190
  495    HB2  ASN  88           2HB      ASN  88  -8.890   3.340  -1.265
  496    HB3  ASN  88           3HB      ASN  88  -9.976   3.277  -2.667
  497   HD21  ASN  88          1HD2      ASN  88  -9.660   2.441   0.808
  498   HD22  ASN  88          2HD2      ASN  88 -11.387   2.352   1.084
  499    H    ASN  89           H        ASN  89  -9.147  -1.082  -1.755
  500    HA   ASN  89           HA       ASN  89 -10.527  -2.824  -1.902
  501    HB2  ASN  89           2HB      ASN  89 -12.177  -1.410  -0.883
  502    HB3  ASN  89           3HB      ASN  89 -12.780  -0.900  -2.445
  503   HD21  ASN  89          1HD2      ASN  89 -12.182  -3.674  -0.285
  504   HD22  ASN  89          2HD2      ASN  89 -13.483  -4.683  -0.922
  505    H    ILE  90           H        ILE  90  -8.810  -2.831  -3.517
  506    HA   ILE  90           HA       ILE  90  -9.799  -3.221  -6.328
  507    HB   ILE  90           HB       ILE  90  -7.546  -2.722  -7.117
  508   HG12  ILE  90          2HG1      ILE  90  -6.489  -1.986  -4.432
  509   HG13  ILE  90          3HG1      ILE  90  -6.380  -3.633  -4.964
  510   HG21  ILE  90          1HG2      ILE  90  -7.507  -0.383  -6.744
  511   HG22  ILE  90          2HG2      ILE  90  -9.186  -0.910  -6.790
  512   HG23  ILE  90          3HG2      ILE  90  -8.436  -0.532  -5.231
  513   HD11  ILE  90          3HD1      ILE  90  -5.193  -3.153  -6.925
  514   HD12  ILE  90          1HD1      ILE  90  -5.329  -1.387  -6.667
  515   HD13  ILE  90          2HD1      ILE  90  -4.403  -2.405  -5.541
  516    H    GLU  91           H        GLU  91  -9.233  -4.985  -7.445
  517    HA   GLU  91           HA       GLU  91  -8.400  -7.279  -5.859
  518    HB2  GLU  91           2HB      GLU  91 -10.196  -7.602  -7.247
  519    HB3  GLU  91           3HB      GLU  91  -9.381  -6.900  -8.611
  520    HG2  GLU  91           2HG      GLU  91  -8.058  -9.315  -7.456
  521    HG3  GLU  91           3HG      GLU  91  -9.666  -9.544  -8.061
  522    H    PHE  92           H        PHE  92  -6.660  -7.971  -5.623
  523    HA   PHE  92           HA       PHE  92  -4.182  -6.875  -6.783
  524    HD1  PHE  92           HD1      PHE  92  -1.921  -8.097  -6.238
  525    HD2  PHE  92           HD2      PHE  92  -3.426  -7.764  -2.197
  526    HE1  PHE  92           HE1      PHE  92   0.348  -8.416  -5.366
  527    HE2  PHE  92           HE2      PHE  92  -1.120  -8.044  -1.337
  528    HZ   PHE  92           HZ       PHE  92   0.779  -8.261  -2.955
  529    HB2  PHE  92           2HB      PHE  92  -4.630  -6.662  -4.397
  530    HB3  PHE  92           3HB      PHE  92  -4.939  -8.261  -4.195
  531    H    ARG  93           H        ARG  93  -4.251  -8.176  -8.698
  532    HA   ARG  93           HA       ARG  93  -3.908  -9.951 -10.045
  533    HE   ARG  93           HE       ARG  93   0.703  -7.964 -10.707
  534    HB2  ARG  93           2HB      ARG  93  -1.814 -10.580  -7.935
  535    HB3  ARG  93           3HB      ARG  93  -1.860 -11.296  -9.541
  536    HG2  ARG  93           2HG      ARG  93  -1.560  -9.085 -10.596
  537    HG3  ARG  93           3HG      ARG  93  -1.455  -8.333  -8.978
  538    HD2  ARG  93           2HD      ARG  93   0.446  -9.764  -8.408
  539    HD3  ARG  93           3HD      ARG  93   0.334 -10.602  -9.963
  540   HH11  ARG  93          2HH2      ARG  93   2.527 -10.189  -8.637
  541   HH12  ARG  93          1HH2      ARG  93   4.035  -9.339  -8.992
  542   HH21  ARG  93          2HH1      ARG  93   2.815  -7.077 -11.137
  543   HH22  ARG  93          1HH1      ARG  93   4.169  -7.778 -10.241
  544    H    GLY  94           H        GLY  94  -5.997 -10.484  -8.041
  545    HA2  GLY  94           2HA      GLY  94  -7.293 -12.624  -8.195
  546    HA3  GLY  94           3HA      GLY  94  -5.833 -13.467  -7.690
  547    H    SER  95           H        SER  95  -5.523 -10.918  -5.589
  548    HA   SER  95           HA       SER  95  -7.432 -12.010  -3.590
  549    HG   SER  95           HG       SER  95  -4.144 -12.460  -2.350
  550    HB2  SER  95           2HB      SER  95  -4.772 -10.543  -3.339
  551    HB3  SER  95           3HB      SER  95  -5.876 -10.847  -1.984
  552    H    VAL  96           H        VAL  96  -7.508  -9.616  -2.074
  553    HA   VAL  96           HA       VAL  96  -7.737  -7.372  -3.858
  554    HB   VAL  96           HB       VAL  96  -9.820  -7.258  -4.351
  555   HG11  VAL  96          1HG1      VAL  96 -11.628  -8.565  -3.661
  556   HG12  VAL  96          2HG1      VAL  96 -10.211  -9.544  -4.010
  557   HG13  VAL  96          3HG1      VAL  96 -10.679  -9.225  -2.303
  558   HG21  VAL  96          3HG2      VAL  96 -11.509  -6.373  -2.885
  559   HG22  VAL  96          1HG2      VAL  96 -10.439  -6.612  -1.494
  560   HG23  VAL  96          2HG2      VAL  96  -9.999  -5.487  -2.782
  561    H    ILE  97           H        ILE  97  -7.567  -5.409  -2.691
  562    HA   ILE  97           HA       ILE  97  -7.304  -5.526   0.266
  563    HB   ILE  97           HB       ILE  97  -5.471  -3.815  -0.005
  564   HG12  ILE  97          2HG1      ILE  97  -5.162  -5.086  -2.759
  565   HG13  ILE  97          3HG1      ILE  97  -5.795  -3.464  -2.479
  566   HG21  ILE  97          1HG2      ILE  97  -3.725  -5.528  -0.022
  567   HG22  ILE  97          2HG2      ILE  97  -5.136  -6.080   0.871
  568   HG23  ILE  97          3HG2      ILE  97  -4.857  -6.691  -0.767
  569   HD11  ILE  97          3HD1      ILE  97  -3.516  -3.244  -3.110
  570   HD12  ILE  97          1HD1      ILE  97  -3.650  -2.822  -1.400
  571   HD13  ILE  97          2HD1      ILE  97  -2.976  -4.406  -1.885
  572    H    THR  98           H        THR  98  -7.908  -3.783   1.327
  573    HA   THR  98           HA       THR  98  -9.052  -1.385  -0.019
  574    HB   THR  98           HB       THR  98  -9.674  -2.529   2.681
  575    HG1  THR  98           1HG      THR  98 -11.543  -3.299   1.847
  576   HG21  THR  98          1HG2      THR  98 -10.119  -0.127   2.623
  577   HG22  THR  98          2HG2      THR  98 -11.045  -0.318   1.105
  578   HG23  THR  98          3HG2      THR  98 -11.647  -1.010   2.631
  579    H    VAL  99           H        VAL  99  -8.298   0.578   0.795
  580    HA   VAL  99           HA       VAL  99  -6.062   0.396   2.722
  581    HB   VAL  99           HB       VAL  99  -4.511   1.506   1.380
  582   HG11  VAL  99          1HG1      VAL  99  -4.855  -0.937   0.918
  583   HG12  VAL  99          2HG1      VAL  99  -5.858  -0.514  -0.458
  584   HG13  VAL  99          3HG1      VAL  99  -4.156  -0.037  -0.440
  585   HG21  VAL  99          3HG2      VAL  99  -5.021   2.171  -0.928
  586   HG22  VAL  99          1HG2      VAL  99  -6.744   1.795  -0.630
  587   HG23  VAL  99          2HG2      VAL  99  -5.930   3.103   0.241
  588    H    GLU 100           H        GLU 100  -5.398   2.173   3.732
  589    HA   GLU 100           HA       GLU 100  -6.839   4.767   3.536
  590    HB2  GLU 100           2HB      GLU 100  -7.882   4.430   5.812
  591    HB3  GLU 100           3HB      GLU 100  -8.578   3.363   4.615
  592    HG2  GLU 100           2HG      GLU 100  -6.370   1.974   5.917
  593    HG3  GLU 100           3HG      GLU 100  -7.326   2.768   7.151
  594    H    ARG 101           H        ARG 101  -6.202   6.298   4.909
  595    HA   ARG 101           HA       ARG 101  -3.553   6.466   5.945
  596    HE   ARG 101           HE       ARG 101  -6.461  10.187   8.351
  597    HB2  ARG 101           2HB      ARG 101  -4.362   8.523   6.935
  598    HB3  ARG 101           3HB      ARG 101  -4.919   8.367   5.283
  599    HG2  ARG 101           2HG      ARG 101  -7.125   7.433   6.281
  600    HG3  ARG 101           3HG      ARG 101  -6.520   8.002   7.835
  601    HD2  ARG 101           2HD      ARG 101  -6.415  10.027   5.635
  602    HD3  ARG 101           3HD      ARG 101  -8.031   9.421   5.988
  603   HH11  ARG 101          2HH2      ARG 101  -8.949  11.283   6.120
  604   HH12  ARG 101          1HH2      ARG 101  -9.487  12.531   7.205
  605   HH21  ARG 101          1HH1      ARG 101  -7.056  11.860   9.580
  606   HH22  ARG 101          2HH1      ARG 101  -8.449  12.843   9.151
  607    H    ASP 102           H        ASP 102  -2.653   5.941   7.759
  608    HA   ASP 102           HA       ASP 102  -4.239   4.601   9.905
  609    HB2  ASP 102           2HB      ASP 102  -2.998   3.136   8.309
  610    HB3  ASP 102           3HB      ASP 102  -1.490   3.880   8.848
  611    H    ASP 103           H        ASP 103  -1.737   7.012   9.379
  612    HA   ASP 103           HA       ASP 103  -1.638   7.417  12.340
  613    HB2  ASP 103           2HB      ASP 103   0.608   7.806  12.377
  614    HB3  ASP 103           3HB      ASP 103   0.499   6.445  11.274
  615    H    ASN 104           H        ASN 104  -3.077   8.637   9.849
  616    HA   ASN 104           HA       ASN 104  -2.987  11.466  10.744
  617    HB2  ASN 104           2HB      ASN 104  -1.599  11.109   8.633
  618    HB3  ASN 104           3HB      ASN 104  -3.061  10.564   7.823
  619   HD21  ASN 104          2HD2      ASN 104  -4.614  12.830   9.342
  620   HD22  ASN 104          1HD2      ASN 104  -4.180  14.242   8.370
  Start of MODEL   16
    1    HA   PRO  25           HA       PRO  25   9.751  16.644   6.274
    2    HB2  PRO  25           2HB      PRO  25   8.896  14.655   4.163
    3    HB3  PRO  25           3HB      PRO  25   9.968  16.089   3.994
    4    HG2  PRO  25           2HG      PRO  25  11.120  13.696   4.319
    5    HG3  PRO  25           3HG      PRO  25  11.677  15.040   5.367
    6    HD2  PRO  25           2HD      PRO  25   9.629  12.888   5.994
    7    HD3  PRO  25           3HD      PRO  25  11.035  13.360   6.979
    8    H    ALA  26           H        ALA  26   7.648  16.416   3.969
    9    HA   ALA  26           HA       ALA  26   5.814  18.207   4.925
   10    HB1  ALA  26           1HB      ALA  26   4.554  17.624   2.861
   11    HB2  ALA  26           2HB      ALA  26   5.534  16.148   2.698
   12    HB3  ALA  26           3HB      ALA  26   6.302  17.744   2.574
   13    H    LYS  27           H        LYS  27   5.430  14.687   5.090
   14    HA   LYS  27           HA       LYS  27   3.244  15.063   7.074
   15    HB2  LYS  27           2HB      LYS  27   2.554  14.403   4.520
   16    HB3  LYS  27           3HB      LYS  27   2.915  12.810   5.097
   17    HG2  LYS  27           2HG      LYS  27   0.819  14.728   6.188
   18    HG3  LYS  27           3HG      LYS  27   0.582  13.238   5.275
   19    HD2  LYS  27           2HD      LYS  27   1.784  12.108   7.352
   20    HD3  LYS  27           3HD      LYS  27   1.221  13.571   8.178
   21    HE2  LYS  27           2HE      LYS  27  -1.079  13.160   7.289
   22    HE3  LYS  27           3HE      LYS  27  -0.510  11.698   6.474
   23    HZ1  LYS  27           3HZ      LYS  27  -0.625  10.548   8.439
   24    HZ2  LYS  27           1HZ      LYS  27   0.103  11.696   9.300
   25    HZ3  LYS  27           2HZ      LYS  27  -1.507  11.825   9.019
   26    H    ARG  28           H        ARG  28   5.353  12.887   5.582
   27    HA   ARG  28           HA       ARG  28   5.901  10.738   5.933
   28    HE   ARG  28           HE       ARG  28   9.439   8.133   6.995
   29    HB2  ARG  28           2HB      ARG  28   7.634  12.159   7.178
   30    HB3  ARG  28           3HB      ARG  28   6.937  11.490   8.670
   31    HG2  ARG  28           2HG      ARG  28   7.335   9.193   7.801
   32    HG3  ARG  28           3HG      ARG  28   7.889   9.865   6.257
   33    HD2  ARG  28           2HD      ARG  28   9.830  10.886   7.353
   34    HD3  ARG  28           3HD      ARG  28   9.268  10.283   8.934
   35   HH11  ARG  28          1HH1      ARG  28  11.581   9.872   9.175
   36   HH12  ARG  28          2HH1      ARG  28  12.635   8.486   9.308
   37   HH21  ARG  28          1HH2      ARG  28  10.651   6.555   7.209
   38   HH22  ARG  28          2HH2      ARG  28  12.142   6.587   8.166
   39    H    TYR  29           H        TYR  29   3.628  10.471   5.833
   40    HA   TYR  29           HA       TYR  29   2.019   9.568   8.090
   41    HD1  TYR  29           HD2      TYR  29   0.918   6.948   5.209
   42    HD2  TYR  29           HD1      TYR  29   2.364  10.755   3.757
   43    HE1  TYR  29           HE2      TYR  29   1.582   5.868   3.107
   44    HE2  TYR  29           HE1      TYR  29   2.738   9.742   1.608
   45    HH   TYR  29           HH       TYR  29   2.177   6.194   0.996
   46    HB2  TYR  29           2HB      TYR  29   0.378   9.132   6.350
   47    HB3  TYR  29           3HB      TYR  29   1.198  10.594   5.861
   48    H    ARG  30           H        ARG  30   0.839   7.502   7.883
   49    HA   ARG  30           HA       ARG  30   2.327   5.326   6.589
   50    HE   ARG  30           HE       ARG  30   0.558   2.243   9.841
   51    HB2  ARG  30           2HB      ARG  30   3.009   5.698   9.106
   52    HB3  ARG  30           3HB      ARG  30   1.477   4.958   9.458
   53    HG2  ARG  30           2HG      ARG  30   3.686   3.740   7.726
   54    HG3  ARG  30           3HG      ARG  30   3.618   3.508   9.468
   55    HD2  ARG  30           2HD      ARG  30   1.338   2.653   7.660
   56    HD3  ARG  30           3HD      ARG  30   2.733   1.637   7.945
   57   HH11  ARG  30          1HH2      ARG  30   3.786   0.857   9.612
   58   HH12  ARG  30          2HH2      ARG  30   3.508  -0.161  10.996
   59   HH21  ARG  30          1HH1      ARG  30   0.273   0.979  11.446
   60   HH22  ARG  30          2HH1      ARG  30   1.531  -0.100  12.060
   61    H    ILE  31           H        ILE  31   0.942   3.893   5.649
   62    HA   ILE  31           HA       ILE  31  -1.999   4.076   6.225
   63    HB   ILE  31           HB       ILE  31  -2.501   3.576   3.925
   64   HG12  ILE  31          2HG1      ILE  31   0.456   3.716   3.285
   65   HG13  ILE  31          3HG1      ILE  31  -0.532   2.245   3.316
   66   HG21  ILE  31          1HG2      ILE  31  -2.251   5.650   3.028
   67   HG22  ILE  31          2HG2      ILE  31  -1.992   5.990   4.745
   68   HG23  ILE  31          3HG2      ILE  31  -0.620   5.889   3.660
   69   HD11  ILE  31          3HD1      ILE  31  -0.874   4.576   1.396
   70   HD12  ILE  31          1HD1      ILE  31  -0.275   2.952   1.025
   71   HD13  ILE  31          2HD1      ILE  31  -1.969   3.175   1.509
   72    H    THR  32           H        THR  32  -3.218   2.271   5.703
   73    HA   THR  32           HA       THR  32  -2.000  -0.500   5.978
   74    HB   THR  32           HB       THR  32  -4.639   0.741   6.684
   75    HG1  THR  32           1HG      THR  32  -3.899   0.361   8.705
   76   HG21  THR  32          1HG2      THR  32  -3.852  -2.196   6.665
   77   HG22  THR  32          2HG2      THR  32  -5.238  -1.544   7.588
   78   HG23  THR  32          3HG2      THR  32  -5.222  -1.410   5.814
   79    H    MET  33           H        MET  33  -2.203  -1.821   4.459
   80    HA   MET  33           HA       MET  33  -4.278  -1.414   2.460
   81    HB2  MET  33           2HB      MET  33  -1.499  -2.483   1.718
   82    HB3  MET  33           3HB      MET  33  -2.832  -2.081   0.652
   83    HG2  MET  33           2HG      MET  33  -2.515   0.345   1.763
   84    HG3  MET  33           3HG      MET  33  -0.933  -0.330   2.129
   85    HE1  MET  33           3HE      MET  33   0.127  -1.796  -0.191
   86    HE2  MET  33           1HE      MET  33  -1.428  -1.994  -1.052
   87    HE3  MET  33           2HE      MET  33  -0.080  -1.134  -1.835
   88    H    LYS  34           H        LYS  34  -5.605  -2.961   2.594
   89    HA   LYS  34           HA       LYS  34  -4.918  -5.657   3.701
   90    HB2  LYS  34           2HB      LYS  34  -5.071  -3.809   5.412
   91    HB3  LYS  34           3HB      LYS  34  -6.539  -3.250   4.562
   92    HG2  LYS  34           2HG      LYS  34  -6.904  -5.813   5.758
   93    HG3  LYS  34           3HG      LYS  34  -6.501  -4.451   6.859
   94    HD2  LYS  34           2HD      LYS  34  -8.606  -4.023   4.708
   95    HD3  LYS  34           3HD      LYS  34  -9.082  -4.876   6.134
   96    HE2  LYS  34           2HE      LYS  34  -8.317  -2.979   7.561
   97    HE3  LYS  34           3HE      LYS  34  -7.570  -2.202   6.169
   98    HZ1  LYS  34           3HZ      LYS  34 -10.480  -2.514   6.638
   99    HZ2  LYS  34           1HZ      LYS  34  -9.615  -1.115   6.559
  100    HZ3  LYS  34           2HZ      LYS  34  -9.851  -1.996   5.216
  101    H    ASN  35           H        ASN  35  -6.659  -7.081   3.543
  102    HA   ASN  35           HA       ASN  35  -9.213  -6.333   3.634
  103    HB2  ASN  35           2HB      ASN  35  -9.456  -5.442   1.466
  104    HB3  ASN  35           3HB      ASN  35  -8.309  -6.558   0.788
  105   HD21  ASN  35          2HD2      ASN  35  -9.244  -7.896  -0.629
  106   HD22  ASN  35          1HD2      ASN  35 -10.929  -8.429  -0.567
  107    H    LEU  36           H        LEU  36 -10.691  -8.478   3.361
  108    HA   LEU  36           HA       LEU  36  -9.409 -10.492   4.836
  109    HG   LEU  36           HG       LEU  36 -11.267 -10.804   6.363
  110    HB2  LEU  36           2HB      LEU  36 -12.086 -10.304   3.458
  111    HB3  LEU  36           3HB      LEU  36 -11.562 -11.834   4.156
  112   HD11  LEU  36          1HD1      LEU  36 -12.267  -8.562   6.823
  113   HD12  LEU  36          2HD1      LEU  36 -10.803  -8.466   5.845
  114   HD13  LEU  36          3HD1      LEU  36 -12.400  -8.283   5.069
  115   HD21  LEU  36          3HD2      LEU  36 -13.656 -10.507   6.855
  116   HD22  LEU  36          1HD2      LEU  36 -14.003 -10.284   5.121
  117   HD23  LEU  36          2HD2      LEU  36 -13.411 -11.849   5.726
  118    HA   PRO  37           HA       PRO  37  -8.740 -13.425   1.166
  119    HB2  PRO  37           2HB      PRO  37  -9.264 -12.763  -1.431
  120    HB3  PRO  37           3HB      PRO  37 -10.482 -13.417  -0.301
  121    HG2  PRO  37           2HG      PRO  37  -9.952 -10.503  -0.947
  122    HG3  PRO  37           3HG      PRO  37 -11.521 -11.374  -1.006
  123    HD2  PRO  37           2HD      PRO  37 -10.865  -9.952   1.190
  124    HD3  PRO  37           3HD      PRO  37 -11.630 -11.547   1.351
  125    H    GLU  38           H        GLU  38  -6.882 -12.118   2.290
  126    HA   GLU  38           HA       GLU  38  -4.760 -12.148   0.312
  127    HB2  GLU  38           2HB      GLU  38  -5.638  -9.550   1.369
  128    HB3  GLU  38           3HB      GLU  38  -4.020  -9.900   1.917
  129    HG2  GLU  38           2HG      GLU  38  -4.999  -9.516  -0.899
  130    HG3  GLU  38           3HG      GLU  38  -3.733  -8.657  -0.020
  131    H    GLY  39           H        GLY  39  -2.628 -11.949   1.361
  132    HA2  GLY  39           2HA      GLY  39  -2.244 -12.352   4.179
  133    HA3  GLY  39           3HA      GLY  39  -1.961 -13.856   3.270
  134    H    CYS  40           H        CYS  40  -1.457 -10.574   2.173
  135    HA   CYS  40           HA       CYS  40   0.608 -10.920   0.569
  136    HG   CYS  40           HG       CYS  40  -1.579  -8.749   2.847
  137    HB2  CYS  40           2HB      CYS  40   0.960  -8.428   0.712
  138    HB3  CYS  40           3HB      CYS  40  -0.671  -8.981   0.371
  139    H    SER  41           H        SER  41   2.685 -10.123   0.317
  140    HA   SER  41           HA       SER  41   4.466  -9.905   2.717
  141    HG   SER  41           HG       SER  41   4.031 -12.194   0.142
  142    HB2  SER  41           2HB      SER  41   5.570 -10.671   0.041
  143    HB3  SER  41           3HB      SER  41   6.135 -11.091   1.665
  144    H    TRP  42           H        TRP  42   6.351  -8.390   2.360
  145    HA   TRP  42           HA       TRP  42   5.481  -6.011   1.130
  146    HD1  TRP  42           HD1      TRP  42  10.091  -4.831   1.820
  147    HE1  TRP  42           HE1      TRP  42  10.259  -2.586   0.609
  148    HE3  TRP  42           HE3      TRP  42   5.127  -4.102   0.701
  149    HZ2  TRP  42           HZ2      TRP  42   8.499  -0.786  -0.806
  150    HZ3  TRP  42           HZ3      TRP  42   4.425  -2.161  -0.601
  151    HH2  TRP  42           HH2      TRP  42   6.060  -0.530  -1.369
  152    HB2  TRP  42           2HB      TRP  42   7.164  -5.918   2.834
  153    HB3  TRP  42           3HB      TRP  42   8.320  -6.760   1.848
  154    H    GLN  43           H        GLN  43   7.654  -8.493  -0.287
  155    HA   GLN  43           HA       GLN  43   8.057  -7.039  -2.637
  156    HB2  GLN  43           2HB      GLN  43   8.597  -9.212  -3.734
  157    HB3  GLN  43           3HB      GLN  43   9.392  -9.052  -2.169
  158    HG2  GLN  43           2HG      GLN  43   8.223 -10.790  -1.230
  159    HG3  GLN  43           3HG      GLN  43   6.726 -10.400  -2.052
  160   HE21  GLN  43          2HE2      GLN  43   6.045 -11.864  -3.592
  161   HE22  GLN  43          1HE2      GLN  43   7.153 -12.945  -4.438
  162    H    ASP  44           H        ASP  44   5.188  -8.546  -1.711
  163    HA   ASP  44           HA       ASP  44   4.059  -8.868  -4.408
  164    HB2  ASP  44           2HB      ASP  44   2.870  -9.018  -1.594
  165    HB3  ASP  44           3HB      ASP  44   2.101  -9.382  -3.074
  166    H    LEU  45           H        LEU  45   3.569  -6.869  -1.481
  167    HA   LEU  45           HA       LEU  45   1.670  -5.117  -2.713
  168    HG   LEU  45           HG       LEU  45   1.326  -6.424  -0.181
  169    HB2  LEU  45           2HB      LEU  45   3.404  -5.162  -0.244
  170    HB3  LEU  45           3HB      LEU  45   2.581  -3.677  -0.646
  171   HD11  LEU  45          1HD1      LEU  45   0.366  -5.216   1.760
  172   HD12  LEU  45          2HD1      LEU  45   2.142  -5.182   1.734
  173   HD13  LEU  45          3HD1      LEU  45   1.250  -3.732   1.241
  174   HD21  LEU  45          3HD2      LEU  45  -0.887  -5.024  -0.205
  175   HD22  LEU  45          1HD2      LEU  45   0.051  -3.869  -1.196
  176   HD23  LEU  45          2HD2      LEU  45  -0.203  -5.525  -1.756
  177    H    LYS  46           H        LYS  46   5.179  -4.825  -2.326
  178    HA   LYS  46           HA       LYS  46   5.703  -2.295  -3.688
  179    HB2  LYS  46           2HB      LYS  46   7.416  -3.615  -2.503
  180    HB3  LYS  46           3HB      LYS  46   7.149  -4.948  -3.612
  181    HG2  LYS  46           2HG      LYS  46   7.813  -3.120  -5.491
  182    HG3  LYS  46           3HG      LYS  46   8.506  -2.285  -4.092
  183    HD2  LYS  46           2HD      LYS  46  10.259  -3.659  -4.929
  184    HD3  LYS  46           3HD      LYS  46   9.570  -4.501  -3.518
  185    HE2  LYS  46           2HE      LYS  46   8.178  -5.905  -5.086
  186    HE3  LYS  46           3HE      LYS  46   8.908  -5.069  -6.453
  187    HZ1  LYS  46           3HZ      LYS  46  10.412  -6.731  -4.498
  188    HZ2  LYS  46           1HZ      LYS  46   9.985  -7.203  -6.001
  189    HZ3  LYS  46           2HZ      LYS  46  11.057  -5.991  -5.808
  190    H    ASP  47           H        ASP  47   5.582  -5.609  -5.090
  191    HA   ASP  47           HA       ASP  47   5.824  -4.705  -7.709
  192    HB2  ASP  47           2HB      ASP  47   5.961  -7.047  -7.379
  193    HB3  ASP  47           3HB      ASP  47   4.525  -7.129  -6.397
  194    H    LEU  48           H        LEU  48   2.679  -5.313  -6.089
  195    HA   LEU  48           HA       LEU  48   1.329  -4.227  -8.313
  196    HG   LEU  48           HG       LEU  48  -1.117  -3.565  -7.952
  197    HB2  LEU  48           2HB      LEU  48   0.095  -5.539  -6.749
  198    HB3  LEU  48           3HB      LEU  48   0.395  -4.423  -5.427
  199   HD11  LEU  48          1HD1      LEU  48  -3.218  -3.867  -6.635
  200   HD12  LEU  48          2HD1      LEU  48  -2.403  -5.376  -7.027
  201   HD13  LEU  48          3HD1      LEU  48  -2.290  -4.671  -5.365
  202   HD21  LEU  48          3HD2      LEU  48  -0.794  -2.488  -5.175
  203   HD22  LEU  48          1HD2      LEU  48  -0.598  -1.676  -6.770
  204   HD23  LEU  48          2HD2      LEU  48  -2.187  -2.042  -6.192
  205    H    ALA  49           H        ALA  49   2.513  -2.510  -5.382
  206    HA   ALA  49           HA       ALA  49   1.484   0.020  -6.005
  207    HB1  ALA  49           1HB      ALA  49   3.719  -1.114  -4.419
  208    HB2  ALA  49           2HB      ALA  49   3.915   0.549  -4.872
  209    HB3  ALA  49           3HB      ALA  49   2.421   0.039  -4.001
  210    H    ARG  50           H        ARG  50   4.400  -1.527  -7.361
  211    HA   ARG  50           HA       ARG  50   5.177   0.773  -8.940
  212    HE   ARG  50           HE       ARG  50   9.264  -0.280  -6.956
  213    HB2  ARG  50           2HB      ARG  50   5.954  -1.981  -9.817
  214    HB3  ARG  50           3HB      ARG  50   6.854  -0.471  -9.886
  215    HG2  ARG  50           2HG      ARG  50   6.430  -2.351  -7.607
  216    HG3  ARG  50           3HG      ARG  50   7.898  -1.867  -8.244
  217    HD2  ARG  50           2HD      ARG  50   6.299   0.239  -6.870
  218    HD3  ARG  50           3HD      ARG  50   7.172  -0.946  -5.941
  219   HH11  ARG  50          1HH1      ARG  50   6.787   2.264  -7.391
  220   HH12  ARG  50          2HH1      ARG  50   8.062   3.346  -7.948
  221   HH21  ARG  50          2HH2      ARG  50  10.668   1.328  -7.592
  222   HH22  ARG  50          1HH2      ARG  50   9.998   2.917  -7.949
  223    H    GLU  51           H        GLU  51   3.026  -1.958  -9.484
  224    HA   GLU  51           HA       GLU  51   2.357  -1.503 -12.251
  225    HB2  GLU  51           2HB      GLU  51   0.486  -2.553 -10.100
  226    HB3  GLU  51           3HB      GLU  51   0.173  -2.552 -11.741
  227    HG2  GLU  51           2HG      GLU  51   2.635  -3.845 -10.540
  228    HG3  GLU  51           3HG      GLU  51   1.179  -4.704 -10.520
  229    H    ASN  52           H        ASN  52   1.270  -0.066  -9.321
  230    HA   ASN  52           HA       ASN  52  -1.072   1.124 -10.594
  231    HB2  ASN  52           2HB      ASN  52  -0.091   0.220  -7.941
  232    HB3  ASN  52           3HB      ASN  52  -1.038   1.593  -7.841
  233   HD21  ASN  52          2HD2      ASN  52  -0.925  -1.670  -9.099
  234   HD22  ASN  52          1HD2      ASN  52  -2.669  -1.924  -9.059
  235    H    SER  53           H        SER  53   1.746   2.468  -8.904
  236    HA   SER  53           HA       SER  53   2.346   4.724 -10.109
  237    HG   SER  53           HG       SER  53  -0.682   6.382  -7.980
  238    HB2  SER  53           2HB      SER  53   1.167   6.624  -9.109
  239    HB3  SER  53           3HB      SER  53   0.078   5.708 -10.126
  240    H    LEU  54           H        LEU  54   2.290   2.954  -7.289
  241    HA   LEU  54           HA       LEU  54   3.043   5.135  -5.436
  242    HG   LEU  54           HG       LEU  54   0.615   2.599  -4.797
  243    HB2  LEU  54           2HB      LEU  54   2.767   2.205  -5.164
  244    HB3  LEU  54           3HB      LEU  54   3.355   3.105  -3.837
  245   HD11  LEU  54          1HD1      LEU  54   1.686   1.815  -2.577
  246   HD12  LEU  54          2HD1      LEU  54   1.549   3.472  -2.020
  247   HD13  LEU  54          3HD1      LEU  54   0.097   2.565  -2.445
  248   HD21  LEU  54          3HD2      LEU  54   0.731   5.043  -5.290
  249   HD22  LEU  54          1HD2      LEU  54  -0.431   4.608  -4.072
  250   HD23  LEU  54          2HD2      LEU  54   1.120   5.332  -3.574
  251    H    GLU  55           H        GLU  55   4.848   5.308  -4.539
  252    HA   GLU  55           HA       GLU  55   7.264   3.762  -5.102
  253    HB2  GLU  55           2HB      GLU  55   7.095   5.393  -6.969
  254    HB3  GLU  55           3HB      GLU  55   7.166   6.731  -5.816
  255    HG2  GLU  55           2HG      GLU  55   9.366   6.355  -5.291
  256    HG3  GLU  55           3HG      GLU  55   9.277   4.622  -5.501
  257    H    THR  56           H        THR  56   5.824   3.811  -2.989
  258    HA   THR  56           HA       THR  56   6.283   5.642  -0.885
  259    HB   THR  56           HB       THR  56   5.560   3.678   0.504
  260    HG1  THR  56           1HG      THR  56   6.450   2.048  -0.907
  261   HG21  THR  56          1HG2      THR  56   3.340   3.296  -0.441
  262   HG22  THR  56          2HG2      THR  56   3.795   4.990  -0.228
  263   HG23  THR  56          3HG2      THR  56   3.822   4.260  -1.858
  264    H    THR  57           H        THR  57   7.660   5.294   1.057
  265    HA   THR  57           HA       THR  57  10.411   4.700   0.375
  266    HB   THR  57           HB       THR  57   9.282   4.892   3.190
  267    HG1  THR  57           1HG      THR  57   9.048   6.908   3.023
  268   HG21  THR  57          1HG2      THR  57  11.962   5.719   2.020
  269   HG22  THR  57          2HG2      THR  57  11.427   5.994   3.696
  270   HG23  THR  57          3HG2      THR  57  11.650   4.341   3.101
  271    H    PHE  58           H        PHE  58   7.978   3.144   2.473
  272    HA   PHE  58           HA       PHE  58   9.289   0.537   2.424
  273    HD1  PHE  58           HD2      PHE  58   9.190  -0.251   6.254
  274    HD2  PHE  58           HD1      PHE  58   9.288   3.970   5.444
  275    HE1  PHE  58           HE2      PHE  58   8.283   0.192   8.520
  276    HE2  PHE  58           HE1      PHE  58   8.432   4.415   7.744
  277    HZ   PHE  58           HZ       PHE  58   7.902   2.538   9.261
  278    HB2  PHE  58           2HB      PHE  58  10.344   0.616   4.353
  279    HB3  PHE  58           3HB      PHE  58  10.535   2.296   4.034
  280    H    SER  59           H        SER  59   8.344  -0.900   4.170
  281    HA   SER  59           HA       SER  59   5.441  -0.426   4.539
  282    HG   SER  59           HG       SER  59   7.109  -3.537   2.696
  283    HB2  SER  59           2HB      SER  59   4.852  -2.280   3.257
  284    HB3  SER  59           3HB      SER  59   6.234  -1.715   2.333
  285    H    SER  60           H        SER  60   4.426  -2.073   5.900
  286    HA   SER  60           HA       SER  60   6.191  -3.856   7.553
  287    HG   SER  60           HG       SER  60   6.344  -1.513   8.444
  288    HB2  SER  60           2HB      SER  60   3.940  -2.042   8.479
  289    HB3  SER  60           3HB      SER  60   4.523  -3.433   9.419
  290    H    VAL  61           H        VAL  61   5.718  -5.700   6.531
  291    HA   VAL  61           HA       VAL  61   2.912  -6.648   6.332
  292    HB   VAL  61           HB       VAL  61   4.765  -7.401   4.107
  293   HG11  VAL  61          1HG1      VAL  61   1.877  -6.530   3.859
  294   HG12  VAL  61          2HG1      VAL  61   2.820  -7.502   2.748
  295   HG13  VAL  61          3HG1      VAL  61   2.291  -8.162   4.304
  296   HG21  VAL  61          3HG2      VAL  61   4.151  -5.455   2.711
  297   HG22  VAL  61          1HG2      VAL  61   3.529  -4.636   4.158
  298   HG23  VAL  61          2HG2      VAL  61   5.233  -5.111   4.049
  299    H    ASN  62           H        ASN  62   3.209  -9.104   5.324
  300    HA   ASN  62           HA       ASN  62   3.712 -11.251   5.732
  301    HB2  ASN  62           2HB      ASN  62   6.209 -10.342   7.181
  302    HB3  ASN  62           3HB      ASN  62   5.873 -11.954   6.576
  303   HD21  ASN  62          1HD2      ASN  62   7.055  -8.769   5.820
  304   HD22  ASN  62          2HD2      ASN  62   7.637  -9.208   4.218
  305    H    THR  63           H        THR  63   3.806  -9.006   8.393
  306    HA   THR  63           HA       THR  63   3.233 -10.603  10.649
  307    HB   THR  63           HB       THR  63   2.051  -8.480  11.430
  308    HG1  THR  63           1HG      THR  63   1.456  -7.746   9.329
  309   HG21  THR  63          1HG2      THR  63   4.484  -8.826  11.804
  310   HG22  THR  63          2HG2      THR  63   4.828  -8.079  10.221
  311   HG23  THR  63          3HG2      THR  63   4.084  -7.120  11.524
  312    H    ARG  64           H        ARG  64   1.514 -11.829  11.182
  313    HA   ARG  64           HA       ARG  64  -0.867 -11.950   9.486
  314    HE   ARG  64           HE       ARG  64  -1.653 -16.424   9.019
  315    HB2  ARG  64           2HB      ARG  64  -0.225 -13.437  12.062
  316    HB3  ARG  64           3HB      ARG  64  -1.649 -13.660  11.044
  317    HG2  ARG  64           2HG      ARG  64  -0.030 -14.209   9.114
  318    HG3  ARG  64           3HG      ARG  64   1.241 -14.266  10.340
  319    HD2  ARG  64           2HD      ARG  64   0.512 -16.507   9.973
  320    HD3  ARG  64           3HD      ARG  64  -0.109 -16.038  11.559
  321   HH11  ARG  64          1HH2      ARG  64  -1.936 -15.765  12.476
  322   HH12  ARG  64          2HH2      ARG  64  -3.674 -15.893  12.399
  323   HH21  ARG  64          1HH1      ARG  64  -3.717 -16.535   9.012
  324   HH22  ARG  64          2HH1      ARG  64  -4.668 -16.159  10.437
  325    H    ASP  65           H        ASP  65  -1.254  -9.620   9.849
  326    HA   ASP  65           HA       ASP  65  -2.455  -8.491  12.127
  327    HB2  ASP  65           2HB      ASP  65  -1.815  -7.503   9.816
  328    HB3  ASP  65           3HB      ASP  65  -3.367  -8.083   9.253
  329    H    PHE  66           H        PHE  66  -3.771 -10.573   9.733
  330    HA   PHE  66           HA       PHE  66  -5.815 -11.683  11.478
  331    HD1  PHE  66           HD1      PHE  66  -7.390 -12.796   7.918
  332    HD2  PHE  66           HD2      PHE  66  -6.042  -8.708   8.244
  333    HE1  PHE  66           HE1      PHE  66  -6.949 -12.745   5.484
  334    HE2  PHE  66           HE2      PHE  66  -5.683  -8.658   5.762
  335    HZ   PHE  66           HZ       PHE  66  -6.093 -10.678   4.409
  336    HB2  PHE  66           2HB      PHE  66  -7.671 -11.516  10.006
  337    HB3  PHE  66           3HB      PHE  66  -7.058  -9.881  10.181
  338    H    ASP  67           H        ASP  67  -4.201 -11.541   8.368
  339    HA   ASP  67           HA       ASP  67  -2.909 -14.086   8.683
  340    HB2  ASP  67           2HB      ASP  67  -5.107 -14.751   7.556
  341    HB3  ASP  67           3HB      ASP  67  -4.603 -13.768   6.170
  342    H    GLY  68           H        GLY  68  -3.660 -11.210   6.665
  343    HA2  GLY  68           2HA      GLY  68  -1.066 -10.216   7.025
  344    HA3  GLY  68           3HA      GLY  68  -1.048 -10.984   5.471
  345    H    THR  69           H        THR  69  -1.202  -8.233   6.851
  346    HA   THR  69           HA       THR  69  -2.389  -6.760   4.526
  347    HB   THR  69           HB       THR  69  -3.045  -4.945   5.963
  348    HG1  THR  69           1HG      THR  69  -3.004  -5.529   8.314
  349   HG21  THR  69          1HG2      THR  69  -4.697  -6.728   5.682
  350   HG22  THR  69          2HG2      THR  69  -4.097  -7.554   7.129
  351   HG23  THR  69          3HG2      THR  69  -4.849  -5.963   7.277
  352    H    GLY  70           H        GLY  70  -1.245  -4.674   4.228
  353    HA2  GLY  70           2HA      GLY  70   1.515  -4.673   5.380
  354    HA3  GLY  70           3HA      GLY  70   1.258  -4.440   3.665
  355    H    ALA  71           H        ALA  71   2.092  -2.834   6.206
  356    HA   ALA  71           HA       ALA  71   0.396  -0.488   5.636
  357    HB1  ALA  71           1HB      ALA  71   1.978  -1.077   8.159
  358    HB2  ALA  71           2HB      ALA  71   0.683   0.122   7.919
  359    HB3  ALA  71           3HB      ALA  71   0.298  -1.592   7.886
  360    H    LEU  72           H        LEU  72   1.231   1.047   4.463
  361    HA   LEU  72           HA       LEU  72   4.107   1.042   3.670
  362    HG   LEU  72           HG       LEU  72   2.392   0.716   0.531
  363    HB2  LEU  72           2HB      LEU  72   1.581   1.924   2.463
  364    HB3  LEU  72           3HB      LEU  72   3.041   2.621   1.942
  365   HD11  LEU  72          1HD1      LEU  72   4.920  -0.114   1.878
  366   HD12  LEU  72          2HD1      LEU  72   4.509   0.083   0.158
  367   HD13  LEU  72          3HD1      LEU  72   4.826   1.483   1.171
  368   HD21  LEU  72          3HD2      LEU  72   1.356  -0.785   2.176
  369   HD22  LEU  72          1HD2      LEU  72   2.606  -1.577   1.199
  370   HD23  LEU  72          2HD2      LEU  72   2.953  -1.112   2.876
  371    H    GLU  73           H        GLU  73   5.182   3.018   3.380
  372    HA   GLU  73           HA       GLU  73   4.144   5.479   4.813
  373    HB2  GLU  73           2HB      GLU  73   5.720   4.213   6.234
  374    HB3  GLU  73           3HB      GLU  73   6.937   4.288   4.966
  375    HG2  GLU  73           2HG      GLU  73   5.952   6.966   5.766
  376    HG3  GLU  73           3HG      GLU  73   6.608   6.056   7.110
  377    H    PHE  74           H        PHE  74   4.795   7.503   3.991
  378    HA   PHE  74           HA       PHE  74   7.075   7.659   2.222
  379    HD1  PHE  74           HD2      PHE  74   7.607   7.089   0.032
  380    HD2  PHE  74           HD1      PHE  74   5.445  10.779  -0.211
  381    HE1  PHE  74           HE2      PHE  74   9.302   7.964  -1.539
  382    HE2  PHE  74           HE1      PHE  74   7.171  11.700  -1.735
  383    HZ   PHE  74           HZ       PHE  74   9.105  10.287  -2.410
  384    HB2  PHE  74           2HB      PHE  74   4.775   7.551   0.730
  385    HB3  PHE  74           3HB      PHE  74   4.719   9.195   1.237
  386    HA   PRO  75           HA       PRO  75   7.506  11.531   4.515
  387    HB2  PRO  75           2HB      PRO  75   8.868  13.037   2.544
  388    HB3  PRO  75           3HB      PRO  75   9.573  11.992   3.813
  389    HG2  PRO  75           2HG      PRO  75   8.957  11.311   0.942
  390    HG3  PRO  75           3HG      PRO  75  10.417  10.901   1.907
  391    HD2  PRO  75           2HD      PRO  75   8.539   9.066   1.568
  392    HD3  PRO  75           3HD      PRO  75   9.218   9.292   3.187
  393    H    SER  76           H        SER  76   5.840  11.512   1.340
  394    HA   SER  76           HA       SER  76   4.539  14.111   2.088
  395    HG   SER  76           HG       SER  76   6.190  15.074  -0.765
  396    HB2  SER  76           2HB      SER  76   5.183  12.896  -0.604
  397    HB3  SER  76           3HB      SER  76   4.238  14.337  -0.406
  398    H    GLU  77           H        GLU  77   2.452  14.148   2.284
  399    HA   GLU  77           HA       GLU  77   0.807  11.942   2.102
  400    HB2  GLU  77           2HB      GLU  77  -1.089  13.479   2.308
  401    HB3  GLU  77           3HB      GLU  77   0.255  13.952   3.339
  402    HG2  GLU  77           2HG      GLU  77   0.941  15.637   1.596
  403    HG3  GLU  77           3HG      GLU  77  -0.544  15.254   0.714
  404    H    GLU  78           H        GLU  78   1.885  13.815  -0.549
  405    HA   GLU  78           HA       GLU  78   0.101  13.425  -2.636
  406    HB2  GLU  78           2HB      GLU  78   3.121  12.927  -2.583
  407    HB3  GLU  78           3HB      GLU  78   2.163  13.170  -4.048
  408    HG2  GLU  78           2HG      GLU  78   1.652  15.469  -3.391
  409    HG3  GLU  78           3HG      GLU  78   2.429  15.249  -1.822
  410    H    ILE  79           H        ILE  79   2.473  10.955  -1.474
  411    HA   ILE  79           HA       ILE  79   1.537   8.916  -3.323
  412    HB   ILE  79           HB       ILE  79   3.386   8.742  -0.922
  413   HG12  ILE  79          2HG1      ILE  79   3.699   9.752  -3.684
  414   HG13  ILE  79          3HG1      ILE  79   4.500  10.206  -2.251
  415   HG21  ILE  79          1HG2      ILE  79   2.532   6.485  -1.604
  416   HG22  ILE  79          2HG2      ILE  79   3.202   6.749  -3.218
  417   HG23  ILE  79          3HG2      ILE  79   4.259   6.653  -1.774
  418   HD11  ILE  79          3HD1      ILE  79   6.109   9.360  -3.766
  419   HD12  ILE  79          1HD1      ILE  79   5.932   8.086  -2.547
  420   HD13  ILE  79          2HD1      ILE  79   5.150   7.908  -4.132
  421    H    LEU  80           H        LEU  80   0.818   9.746   0.002
  422    HA   LEU  80           HA       LEU  80  -0.609   7.397   0.723
  423    HG   LEU  80           HG       LEU  80  -2.683  10.160   1.926
  424    HB2  LEU  80           2HB      LEU  80  -0.135   8.587   2.552
  425    HB3  LEU  80           3HB      LEU  80  -0.178  10.126   1.764
  426   HD11  LEU  80          1HD1      LEU  80  -2.892   7.636   2.334
  427   HD12  LEU  80          2HD1      LEU  80  -2.327   7.987   3.988
  428   HD13  LEU  80          3HD1      LEU  80  -3.830   8.711   3.391
  429   HD21  LEU  80          3HD2      LEU  80  -1.161   9.895   4.536
  430   HD22  LEU  80          1HD2      LEU  80  -1.274  11.366   3.534
  431   HD23  LEU  80          2HD2      LEU  80  -2.730  10.696   4.302
  432    H    VAL  81           H        VAL  81  -1.631  10.538  -0.641
  433    HA   VAL  81           HA       VAL  81  -4.479   9.938  -0.680
  434    HB   VAL  81           HB       VAL  81  -2.784  12.112  -2.024
  435   HG11  VAL  81          1HG1      VAL  81  -5.827  11.949  -1.854
  436   HG12  VAL  81          2HG1      VAL  81  -4.906  13.384  -2.359
  437   HG13  VAL  81          3HG1      VAL  81  -4.843  11.920  -3.333
  438   HG21  VAL  81          3HG2      VAL  81  -2.940  12.214   0.478
  439   HG22  VAL  81          1HG2      VAL  81  -3.652  13.609  -0.327
  440   HG23  VAL  81          2HG2      VAL  81  -4.702  12.326   0.329
  441    H    GLU  82           H        GLU  82  -1.843   9.772  -3.011
  442    HA   GLU  82           HA       GLU  82  -3.222   8.931  -5.271
  443    HB2  GLU  82           2HB      GLU  82  -0.573   8.717  -3.915
  444    HB3  GLU  82           3HB      GLU  82  -0.909   7.429  -4.916
  445    HG2  GLU  82           2HG      GLU  82  -0.848  10.371  -5.598
  446    HG3  GLU  82           3HG      GLU  82   0.404   9.196  -6.014
  447    H    ALA  83           H        ALA  83  -1.619   6.696  -2.865
  448    HA   ALA  83           HA       ALA  83  -2.922   4.351  -3.689
  449    HB1  ALA  83           1HB      ALA  83  -2.311   3.389  -1.628
  450    HB2  ALA  83           2HB      ALA  83  -1.062   4.593  -1.993
  451    HB3  ALA  83           3HB      ALA  83  -2.297   4.966  -0.786
  452    H    LEU  84           H        LEU  84  -4.240   6.686  -1.388
  453    HA   LEU  84           HA       LEU  84  -6.590   5.168  -0.580
  454    HG   LEU  84           HG       LEU  84  -4.824   7.877   1.222
  455    HB2  LEU  84           2HB      LEU  84  -6.111   8.167  -0.507
  456    HB3  LEU  84           3HB      LEU  84  -7.480   7.384   0.158
  457   HD11  LEU  84          1HD1      LEU  84  -7.414   7.005   2.507
  458   HD12  LEU  84          2HD1      LEU  84  -5.993   7.695   3.339
  459   HD13  LEU  84          3HD1      LEU  84  -6.897   8.678   2.176
  460   HD21  LEU  84          3HD2      LEU  84  -4.723   5.818   2.623
  461   HD22  LEU  84          1HD2      LEU  84  -5.974   5.107   1.524
  462   HD23  LEU  84          2HD2      LEU  84  -4.369   5.538   0.906
  463    H    GLU  85           H        GLU  85  -5.914   7.251  -3.330
  464    HA   GLU  85           HA       GLU  85  -8.675   6.763  -4.221
  465    HB2  GLU  85           2HB      GLU  85  -6.454   8.541  -5.321
  466    HB3  GLU  85           3HB      GLU  85  -8.056   8.395  -6.063
  467    HG2  GLU  85           2HG      GLU  85  -9.119   9.354  -4.108
  468    HG3  GLU  85           3HG      GLU  85  -7.574   9.458  -3.258
  469    H    ARG  86           H        ARG  86  -5.652   5.183  -4.636
  470    HA   ARG  86           HA       ARG  86  -6.131   4.478  -7.508
  471    HE   ARG  86           HE       ARG  86  -3.288   8.340  -8.598
  472    HB2  ARG  86           2HB      ARG  86  -3.759   5.178  -5.805
  473    HB3  ARG  86           3HB      ARG  86  -3.471   3.926  -6.782
  474    HG2  ARG  86           2HG      ARG  86  -2.802   5.931  -7.892
  475    HG3  ARG  86           3HG      ARG  86  -4.183   5.318  -8.824
  476    HD2  ARG  86           2HD      ARG  86  -5.708   6.848  -7.687
  477    HD3  ARG  86           3HD      ARG  86  -4.410   7.360  -6.590
  478   HH11  ARG  86          2HH1      ARG  86  -6.747   8.456  -8.066
  479   HH12  ARG  86          1HH1      ARG  86  -6.696  10.148  -7.645
  480   HH21  ARG  86          1HH2      ARG  86  -3.380  10.512  -8.391
  481   HH22  ARG  86          2HH2      ARG  86  -4.936  11.334  -8.284
  482    H    LEU  87           H        LEU  87  -5.459   3.119  -4.307
  483    HA   LEU  87           HA       LEU  87  -5.783   0.397  -5.358
  484    HG   LEU  87           HG       LEU  87  -3.412  -0.098  -5.505
  485    HB2  LEU  87           2HB      LEU  87  -4.043   1.553  -3.137
  486    HB3  LEU  87           3HB      LEU  87  -4.447  -0.094  -3.268
  487   HD11  LEU  87          1HD1      LEU  87  -3.277   1.772  -6.462
  488   HD12  LEU  87          2HD1      LEU  87  -2.883   2.698  -4.971
  489   HD13  LEU  87          3HD1      LEU  87  -1.631   1.760  -5.789
  490   HD21  LEU  87          3HD2      LEU  87  -2.161  -0.895  -3.520
  491   HD22  LEU  87          1HD2      LEU  87  -1.070  -0.124  -4.676
  492   HD23  LEU  87          2HD2      LEU  87  -1.593   0.767  -3.227
  493    H    ASN  88           H        ASN  88  -7.629   2.664  -3.833
  494    HA   ASN  88           HA       ASN  88  -8.432   1.051  -1.566
  495    HB2  ASN  88           2HB      ASN  88  -8.500   3.513  -1.464
  496    HB3  ASN  88           3HB      ASN  88  -9.825   3.514  -2.644
  497   HD21  ASN  88          2HD2      ASN  88 -11.396   4.296  -1.183
  498   HD22  ASN  88          1HD2      ASN  88 -11.776   3.459   0.309
  499    H    ASN  89           H        ASN  89  -9.010  -0.858  -2.240
  500    HA   ASN  89           HA       ASN  89 -10.356  -2.533  -2.615
  501    HB2  ASN  89           2HB      ASN  89 -12.066  -1.172  -1.444
  502    HB3  ASN  89           3HB      ASN  89 -12.766  -0.780  -3.017
  503   HD21  ASN  89          2HD2      ASN  89 -11.709  -3.408  -0.823
  504   HD22  ASN  89          1HD2      ASN  89 -12.677  -4.670  -1.563
  505    H    ILE  90           H        ILE  90  -8.766  -2.524  -4.165
  506    HA   ILE  90           HA       ILE  90  -9.741  -2.571  -7.012
  507    HB   ILE  90           HB       ILE  90  -7.405  -2.138  -7.723
  508   HG12  ILE  90          2HG1      ILE  90  -6.487  -1.605  -4.936
  509   HG13  ILE  90          3HG1      ILE  90  -6.391  -3.222  -5.556
  510   HG21  ILE  90          1HG2      ILE  90  -9.021  -0.316  -7.339
  511   HG22  ILE  90          2HG2      ILE  90  -8.307  -0.048  -5.736
  512   HG23  ILE  90          3HG2      ILE  90  -7.329   0.152  -7.212
  513   HD11  ILE  90          3HD1      ILE  90  -4.345  -2.078  -5.911
  514   HD12  ILE  90          1HD1      ILE  90  -5.071  -2.645  -7.424
  515   HD13  ILE  90          2HD1      ILE  90  -5.136  -0.912  -7.006
  516    H    GLU  91           H        GLU  91  -9.162  -4.360  -8.254
  517    HA   GLU  91           HA       GLU  91  -8.487  -6.801  -6.759
  518    HB2  GLU  91           2HB      GLU  91 -10.243  -6.740  -8.526
  519    HB3  GLU  91           3HB      GLU  91  -8.926  -6.394  -9.640
  520    HG2  GLU  91           2HG      GLU  91  -7.906  -8.625  -8.556
  521    HG3  GLU  91           3HG      GLU  91  -9.604  -8.931  -8.222
  522    H    PHE  92           H        PHE  92  -6.565  -7.105  -6.222
  523    HA   PHE  92           HA       PHE  92  -4.138  -6.342  -7.654
  524    HD1  PHE  92           HD1      PHE  92  -1.989  -7.739  -7.507
  525    HD2  PHE  92           HD2      PHE  92  -2.929  -7.464  -3.296
  526    HE1  PHE  92           HE1      PHE  92   0.388  -8.167  -6.938
  527    HE2  PHE  92           HE2      PHE  92  -0.549  -7.917  -2.749
  528    HZ   PHE  92           HZ       PHE  92   1.086  -8.256  -4.594
  529    HB2  PHE  92           2HB      PHE  92  -4.402  -6.360  -5.188
  530    HB3  PHE  92           3HB      PHE  92  -4.706  -7.974  -5.168
  531    H    ARG  93           H        ARG  93  -5.074  -7.432  -9.567
  532    HA   ARG  93           HA       ARG  93  -5.090  -8.970 -11.188
  533    HE   ARG  93           HE       ARG  93   0.153  -7.285 -12.428
  534    HB2  ARG  93           2HB      ARG  93  -2.691 -10.143  -9.746
  535    HB3  ARG  93           3HB      ARG  93  -3.115 -10.361 -11.451
  536    HG2  ARG  93           2HG      ARG  93  -2.883  -7.755 -11.625
  537    HG3  ARG  93           3HG      ARG  93  -2.010  -7.908 -10.087
  538    HD2  ARG  93           2HD      ARG  93  -0.754  -9.887 -11.383
  539    HD3  ARG  93           3HD      ARG  93  -1.349  -9.058 -12.816
  540   HH11  ARG  93          2HH2      ARG  93   0.280  -9.381  -9.567
  541   HH12  ARG  93          1HH2      ARG  93   1.843  -8.676  -9.130
  542   HH21  ARG  93          1HH1      ARG  93   2.070  -6.651 -11.816
  543   HH22  ARG  93          2HH1      ARG  93   2.866  -7.298 -10.363
  544    H    GLY  94           H        GLY  94  -6.173 -10.044  -8.364
  545    HA2  GLY  94           2HA      GLY  94  -7.484 -12.414  -8.963
  546    HA3  GLY  94           3HA      GLY  94  -5.839 -12.918  -8.521
  547    H    SER  95           H        SER  95  -5.586 -10.529  -6.535
  548    HA   SER  95           HA       SER  95  -7.381 -11.497  -4.363
  549    HG   SER  95           HG       SER  95  -4.048 -11.688  -3.143
  550    HB2  SER  95           2HB      SER  95  -4.739  -9.954  -4.383
  551    HB3  SER  95           3HB      SER  95  -5.738 -10.263  -2.946
  552    H    VAL  96           H        VAL  96  -7.563  -9.246  -2.990
  553    HA   VAL  96           HA       VAL  96  -7.647  -6.897  -4.698
  554    HB   VAL  96           HB       VAL  96  -9.743  -6.709  -5.170
  555   HG11  VAL  96          1HG1      VAL  96 -10.415  -9.059  -3.467
  556   HG12  VAL  96          2HG1      VAL  96 -11.525  -8.213  -4.588
  557   HG13  VAL  96          3HG1      VAL  96 -10.079  -8.980  -5.231
  558   HG21  VAL  96          3HG2      VAL  96 -10.499  -6.536  -2.279
  559   HG22  VAL  96          1HG2      VAL  96  -9.967  -5.201  -3.327
  560   HG23  VAL  96          2HG2      VAL  96 -11.462  -6.052  -3.681
  561    H    ILE  97           H        ILE  97  -7.504  -4.975  -3.422
  562    HA   ILE  97           HA       ILE  97  -7.170  -5.273  -0.470
  563    HB   ILE  97           HB       ILE  97  -5.321  -3.484  -0.752
  564   HG12  ILE  97          2HG1      ILE  97  -5.023  -4.870  -3.425
  565   HG13  ILE  97          3HG1      ILE  97  -5.600  -3.212  -3.207
  566   HG21  ILE  97          1HG2      ILE  97  -5.033  -5.757   0.208
  567   HG22  ILE  97          2HG2      ILE  97  -4.601  -6.355  -1.409
  568   HG23  ILE  97          3HG2      ILE  97  -3.600  -5.117  -0.578
  569   HD11  ILE  97          3HD1      ILE  97  -2.813  -4.250  -2.578
  570   HD12  ILE  97          1HD1      ILE  97  -3.295  -3.105  -3.838
  571   HD13  ILE  97          2HD1      ILE  97  -3.412  -2.628  -2.135
  572    H    THR  98           H        THR  98  -7.897  -3.706   0.690
  573    HA   THR  98           HA       THR  98  -9.073  -1.194  -0.404
  574    HB   THR  98           HB       THR  98  -9.363  -2.483   2.313
  575    HG1  THR  98           1HG      THR  98 -11.327  -3.282   1.580
  576   HG21  THR  98          1HG2      THR  98  -9.991  -0.082   2.234
  577   HG22  THR  98          2HG2      THR  98 -11.140  -0.452   0.923
  578   HG23  THR  98          3HG2      THR  98 -11.381  -1.133   2.542
  579    H    VAL  99           H        VAL  99  -8.261   0.801   0.562
  580    HA   VAL  99           HA       VAL  99  -5.933   0.473   2.368
  581    HB   VAL  99           HB       VAL  99  -4.378   1.687   1.111
  582   HG11  VAL  99          1HG1      VAL  99  -3.923   0.217  -0.742
  583   HG12  VAL  99          2HG1      VAL  99  -4.618  -0.739   0.567
  584   HG13  VAL  99          3HG1      VAL  99  -5.609  -0.323  -0.815
  585   HG21  VAL  99          3HG2      VAL  99  -6.565   1.992  -0.931
  586   HG22  VAL  99          1HG2      VAL  99  -5.742   3.283  -0.030
  587   HG23  VAL  99          2HG2      VAL  99  -4.840   2.348  -1.221
  588    H    GLU 100           H        GLU 100  -5.376   2.143   3.575
  589    HA   GLU 100           HA       GLU 100  -6.765   4.744   3.513
  590    HB2  GLU 100           2HB      GLU 100  -8.033   4.319   5.608
  591    HB3  GLU 100           3HB      GLU 100  -8.628   3.284   4.318
  592    HG2  GLU 100           2HG      GLU 100  -7.290   1.381   5.284
  593    HG3  GLU 100           3HG      GLU 100  -6.789   2.430   6.608
  594    H    ARG 101           H        ARG 101  -6.193   6.120   5.191
  595    HA   ARG 101           HA       ARG 101  -3.515   5.883   6.082
  596    HE   ARG 101           HE       ARG 101  -6.801   6.739   8.842
  597    HB2  ARG 101           2HB      ARG 101  -3.815   7.961   7.140
  598    HB3  ARG 101           3HB      ARG 101  -4.483   7.960   5.539
  599    HG2  ARG 101           2HG      ARG 101  -5.725   8.553   8.120
  600    HG3  ARG 101           3HG      ARG 101  -5.959   9.269   6.554
  601    HD2  ARG 101           2HD      ARG 101  -8.030   8.456   7.047
  602    HD3  ARG 101           3HD      ARG 101  -7.408   7.170   6.024
  603   HH11  ARG 101          2HH1      ARG 101  -9.621   6.404   6.734
  604   HH12  ARG 101          1HH1      ARG 101  -9.912   4.776   7.359
  605   HH21  ARG 101          1HH2      ARG 101  -7.258   4.661   9.346
  606   HH22  ARG 101          2HH2      ARG 101  -8.723   3.903   8.768
  607    H    ASP 102           H        ASP 102  -2.539   5.691   8.030
  608    HA   ASP 102           HA       ASP 102  -4.037   4.093  10.076
  609    HB2  ASP 102           2HB      ASP 102  -2.957   2.668   8.396
  610    HB3  ASP 102           3HB      ASP 102  -1.373   3.349   8.812
  611    H    ASP 103           H        ASP 103  -1.220   6.217   9.480
  612    HA   ASP 103           HA       ASP 103  -0.739   6.463  12.390
  613    HB2  ASP 103           2HB      ASP 103   0.966   7.912  11.924
  614    HB3  ASP 103           3HB      ASP 103   1.041   6.846  10.533
  615    H    ASN 104           H        ASN 104  -3.231   7.281  10.471
  616    HA   ASN 104           HA       ASN 104  -4.117   9.718  11.874
  617    HB2  ASN 104           2HB      ASN 104  -2.560  10.080   9.782
  618    HB3  ASN 104           3HB      ASN 104  -3.954   9.614   8.837
  619   HD21  ASN 104          1HD2      ASN 104  -5.982  10.954  10.348
  620   HD22  ASN 104          2HD2      ASN 104  -5.692  12.692  10.123
  Start of MODEL   17
    1    HA   PRO  25           HA       PRO  25  10.365  13.534   8.534
    2    HB2  PRO  25           2HB      PRO  25   9.999  12.895   5.592
    3    HB3  PRO  25           3HB      PRO  25  11.508  13.072   6.535
    4    HG2  PRO  25           2HG      PRO  25   9.931  10.673   6.062
    5    HG3  PRO  25           3HG      PRO  25  11.375  10.800   7.105
    6    HD2  PRO  25           2HD      PRO  25   8.842  10.259   8.094
    7    HD3  PRO  25           3HD      PRO  25  10.112  11.090   9.017
    8    H    ALA  26           H        ALA  26   9.414  14.756   5.409
    9    HA   ALA  26           HA       ALA  26   8.538  17.319   6.319
   10    HB1  ALA  26           1HB      ALA  26   9.363  16.797   4.034
   11    HB2  ALA  26           2HB      ALA  26   7.904  15.817   3.733
   12    HB3  ALA  26           3HB      ALA  26   7.759  17.566   3.990
   13    H    LYS  27           H        LYS  27   6.772  14.470   5.279
   14    HA   LYS  27           HA       LYS  27   4.550  14.933   7.210
   15    HB2  LYS  27           2HB      LYS  27   4.286  14.523   4.325
   16    HB3  LYS  27           3HB      LYS  27   3.751  13.079   5.136
   17    HG2  LYS  27           2HG      LYS  27   2.739  15.872   5.758
   18    HG3  LYS  27           3HG      LYS  27   1.935  14.705   4.715
   19    HD2  LYS  27           2HD      LYS  27   2.543  13.977   7.596
   20    HD3  LYS  27           3HD      LYS  27   1.166  14.987   7.218
   21    HE2  LYS  27           2HE      LYS  27   1.371  12.519   5.570
   22    HE3  LYS  27           3HE      LYS  27   1.189  12.234   7.312
   23    HZ1  LYS  27           3HZ      LYS  27  -0.793  13.443   7.370
   24    HZ2  LYS  27           1HZ      LYS  27  -0.634  14.068   5.845
   25    HZ3  LYS  27           2HZ      LYS  27  -0.963  12.466   6.091
   26    H    ARG  28           H        ARG  28   3.999  12.975   8.290
   27    HA   ARG  28           HA       ARG  28   5.381  10.561   7.329
   28    HE   ARG  28           HE       ARG  28   4.175   8.484  11.637
   29    HB2  ARG  28           2HB      ARG  28   6.233   9.813   9.257
   30    HB3  ARG  28           3HB      ARG  28   6.678  11.489   9.342
   31    HG2  ARG  28           2HG      ARG  28   5.525  11.919  11.231
   32    HG3  ARG  28           3HG      ARG  28   4.164  10.869  10.833
   33    HD2  ARG  28           2HD      ARG  28   6.916   9.796  11.493
   34    HD3  ARG  28           3HD      ARG  28   5.681  10.095  12.733
   35   HH11  ARG  28          1HH1      ARG  28   7.533   8.060  10.693
   36   HH12  ARG  28          2HH1      ARG  28   7.147   6.654   9.722
   37   HH21  ARG  28          1HH2      ARG  28   3.796   6.686  10.538
   38   HH22  ARG  28          2HH2      ARG  28   5.124   5.851   9.703
   39    H    TYR  29           H        TYR  29   4.191   8.879   7.236
   40    HA   TYR  29           HA       TYR  29   1.627   8.729   8.602
   41    HD1  TYR  29           HD2      TYR  29   0.534   6.752   5.453
   42    HD2  TYR  29           HD1      TYR  29   2.665  10.399   4.427
   43    HE1  TYR  29           HE2      TYR  29   1.195   5.742   3.289
   44    HE2  TYR  29           HE1      TYR  29   3.039   9.510   2.230
   45    HH   TYR  29           HH       TYR  29   2.860   7.579   0.800
   46    HB2  TYR  29           2HB      TYR  29   0.242   8.867   6.697
   47    HB3  TYR  29           3HB      TYR  29   1.321  10.213   6.501
   48    H    ARG  30           H        ARG  30   0.652   6.719   8.290
   49    HA   ARG  30           HA       ARG  30   2.034   4.632   6.687
   50    HE   ARG  30           HE       ARG  30   4.535   3.387   8.374
   51    HB2  ARG  30           2HB      ARG  30   2.645   4.476   9.134
   52    HB3  ARG  30           3HB      ARG  30   0.940   4.399   9.485
   53    HG2  ARG  30           2HG      ARG  30   1.746   2.173   9.641
   54    HG3  ARG  30           3HG      ARG  30   0.789   2.259   8.161
   55    HD2  ARG  30           2HD      ARG  30   2.813   1.010   7.751
   56    HD3  ARG  30           3HD      ARG  30   2.880   2.504   6.846
   57   HH11  ARG  30          1HH2      ARG  30   3.893   0.021   8.922
   58   HH12  ARG  30          2HH2      ARG  30   5.417  -0.251   9.708
   59   HH21  ARG  30          2HH1      ARG  30   6.270   3.119   9.480
   60   HH22  ARG  30          1HH1      ARG  30   6.676   1.578  10.252
   61    H    ILE  31           H        ILE  31   0.582   3.518   5.472
   62    HA   ILE  31           HA       ILE  31  -2.343   3.771   6.087
   63    HB   ILE  31           HB       ILE  31  -2.815   3.065   3.790
   64   HG12  ILE  31          2HG1      ILE  31   0.107   3.524   3.110
   65   HG13  ILE  31          3HG1      ILE  31  -0.598   1.919   3.369
   66   HG21  ILE  31          1HG2      ILE  31  -1.122   5.573   3.877
   67   HG22  ILE  31          2HG2      ILE  31  -2.400   5.189   2.711
   68   HG23  ILE  31          3HG2      ILE  31  -2.816   5.422   4.410
   69   HD11  ILE  31          3HD1      ILE  31  -2.260   2.361   1.595
   70   HD12  ILE  31          1HD1      ILE  31  -1.383   3.874   1.224
   71   HD13  ILE  31          2HD1      ILE  31  -0.572   2.317   1.025
   72    H    THR  32           H        THR  32  -3.557   2.039   5.885
   73    HA   THR  32           HA       THR  32  -2.571  -0.752   6.395
   74    HB   THR  32           HB       THR  32  -5.298   0.512   6.255
   75    HG1  THR  32           1HG      THR  32  -3.908   0.268   8.661
   76   HG21  THR  32          1HG2      THR  32  -5.980  -1.352   7.801
   77   HG22  THR  32          2HG2      THR  32  -5.357  -1.924   6.249
   78   HG23  THR  32          3HG2      THR  32  -4.322  -1.997   7.698
   79    H    MET  33           H        MET  33  -2.720  -2.233   4.865
   80    HA   MET  33           HA       MET  33  -4.617  -1.863   2.691
   81    HB2  MET  33           2HB      MET  33  -1.831  -2.932   2.044
   82    HB3  MET  33           3HB      MET  33  -3.168  -2.498   0.980
   83    HG2  MET  33           2HG      MET  33  -2.748  -0.093   2.053
   84    HG3  MET  33           3HG      MET  33  -1.175  -0.803   2.364
   85    HE1  MET  33           3HE      MET  33  -0.585  -1.652  -1.671
   86    HE2  MET  33           1HE      MET  33  -0.255  -2.295  -0.038
   87    HE3  MET  33           2HE      MET  33  -1.871  -2.493  -0.769
   88    H    LYS  34           H        LYS  34  -5.932  -3.268   3.159
   89    HA   LYS  34           HA       LYS  34  -5.248  -6.002   4.199
   90    HB2  LYS  34           2HB      LYS  34  -5.360  -4.201   5.927
   91    HB3  LYS  34           3HB      LYS  34  -6.752  -3.535   5.067
   92    HG2  LYS  34           2HG      LYS  34  -7.252  -6.075   6.340
   93    HG3  LYS  34           3HG      LYS  34  -6.974  -4.620   7.336
   94    HD2  LYS  34           2HD      LYS  34  -9.023  -4.645   5.068
   95    HD3  LYS  34           3HD      LYS  34  -9.452  -5.054   6.668
   96    HE2  LYS  34           2HE      LYS  34  -9.704  -2.840   7.120
   97    HE3  LYS  34           3HE      LYS  34  -7.960  -2.620   6.894
   98    HZ1  LYS  34           3HZ      LYS  34  -9.114  -1.185   5.397
   99    HZ2  LYS  34           1HZ      LYS  34  -8.388  -2.309   4.504
  100    HZ3  LYS  34           2HZ      LYS  34 -10.022  -2.406   4.777
  101    H    ASN  35           H        ASN  35  -7.026  -7.410   4.139
  102    HA   ASN  35           HA       ASN  35  -9.563  -6.505   4.209
  103    HB2  ASN  35           2HB      ASN  35  -9.848  -5.852   2.032
  104    HB3  ASN  35           3HB      ASN  35  -8.656  -6.932   1.407
  105   HD21  ASN  35          2HD2      ASN  35  -9.509  -8.472   0.083
  106   HD22  ASN  35          1HD2      ASN  35 -11.192  -8.994   0.121
  107    H    LEU  36           H        LEU  36 -11.184  -8.658   3.986
  108    HA   LEU  36           HA       LEU  36  -9.860 -10.619   5.669
  109    HG   LEU  36           HG       LEU  36 -12.250  -8.840   6.261
  110    HB2  LEU  36           2HB      LEU  36 -12.663 -10.544   4.515
  111    HB3  LEU  36           3HB      LEU  36 -12.069 -11.812   5.585
  112   HD11  LEU  36          1HD1      LEU  36 -14.444  -9.950   6.060
  113   HD12  LEU  36          2HD1      LEU  36 -13.922 -11.209   7.198
  114   HD13  LEU  36          3HD1      LEU  36 -14.090  -9.522   7.740
  115   HD21  LEU  36          3HD2      LEU  36 -11.483 -11.228   8.002
  116   HD22  LEU  36          1HD2      LEU  36 -10.452  -9.838   7.585
  117   HD23  LEU  36          2HD2      LEU  36 -11.862  -9.603   8.613
  118    HA   PRO  37           HA       PRO  37  -9.553 -13.521   1.981
  119    HB2  PRO  37           2HB      PRO  37 -10.581 -13.009  -0.484
  120    HB3  PRO  37           3HB      PRO  37 -11.514 -13.756   0.838
  121    HG2  PRO  37           2HG      PRO  37 -11.490 -10.852   0.004
  122    HG3  PRO  37           3HG      PRO  37 -12.903 -11.894   0.337
  123    HD2  PRO  37           2HD      PRO  37 -11.908 -10.204   2.234
  124    HD3  PRO  37           3HD      PRO  37 -12.564 -11.808   2.650
  125    H    GLU  38           H        GLU  38  -7.654 -12.398   2.620
  126    HA   GLU  38           HA       GLU  38  -5.552 -12.522   1.898
  127    HB2  GLU  38           2HB      GLU  38  -6.348 -12.616  -0.437
  128    HB3  GLU  38           3HB      GLU  38  -6.207 -10.841  -0.507
  129    HG2  GLU  38           2HG      GLU  38  -4.296 -11.901  -1.577
  130    HG3  GLU  38           3HG      GLU  38  -3.811 -10.972  -0.184
  131    H    GLY  39           H        GLY  39  -3.752 -11.491   2.278
  132    HA2  GLY  39           2HA      GLY  39  -3.642  -8.523   2.546
  133    HA3  GLY  39           3HA      GLY  39  -3.134  -9.535   3.894
  134    H    CYS  40           H        CYS  40  -2.247 -11.345   1.271
  135    HA   CYS  40           HA       CYS  40  -0.250 -12.002   0.483
  136    HG   CYS  40           HG       CYS  40  -2.464 -10.432  -1.272
  137    HB2  CYS  40           2HB      CYS  40  -0.422  -9.133  -0.414
  138    HB3  CYS  40           3HB      CYS  40   0.775 -10.313  -0.991
  139    H    SER  41           H        SER  41   1.942  -9.824   0.254
  140    HA   SER  41           HA       SER  41   3.361  -9.964   2.827
  141    HG   SER  41           HG       SER  41   3.029 -12.493   2.244
  142    HB2  SER  41           2HB      SER  41   4.100 -11.559   0.337
  143    HB3  SER  41           3HB      SER  41   5.336 -11.027   1.499
  144    H    TRP  42           H        TRP  42   5.587  -8.728   2.472
  145    HA   TRP  42           HA       TRP  42   4.887  -6.326   1.225
  146    HD1  TRP  42           HD1      TRP  42   9.510  -5.359   1.714
  147    HE1  TRP  42           HE1      TRP  42   9.696  -3.148   0.435
  148    HE3  TRP  42           HE3      TRP  42   4.510  -4.410   0.865
  149    HZ2  TRP  42           HZ2      TRP  42   7.943  -1.388  -1.049
  150    HZ3  TRP  42           HZ3      TRP  42   3.840  -2.606  -0.640
  151    HH2  TRP  42           HH2      TRP  42   5.489  -1.099  -1.611
  152    HB2  TRP  42           2HB      TRP  42   6.556  -6.302   2.952
  153    HB3  TRP  42           3HB      TRP  42   7.672  -7.209   1.956
  154    H    GLN  43           H        GLN  43   7.176  -8.756  -0.195
  155    HA   GLN  43           HA       GLN  43   7.489  -7.156  -2.482
  156    HB2  GLN  43           2HB      GLN  43   8.662  -8.998  -3.495
  157    HB3  GLN  43           3HB      GLN  43   9.033  -8.970  -1.782
  158    HG2  GLN  43           2HG      GLN  43   8.618 -11.188  -1.868
  159    HG3  GLN  43           3HG      GLN  43   6.936 -10.724  -1.712
  160   HE21  GLN  43          2HE2      GLN  43   5.697 -12.007  -3.160
  161   HE22  GLN  43          1HE2      GLN  43   6.278 -12.460  -4.760
  162    H    ASP  44           H        ASP  44   4.811  -8.988  -1.744
  163    HA   ASP  44           HA       ASP  44   3.741  -9.281  -4.476
  164    HB2  ASP  44           2HB      ASP  44   2.794  -9.807  -1.639
  165    HB3  ASP  44           3HB      ASP  44   1.739  -9.881  -2.987
  166    H    LEU  45           H        LEU  45   3.221  -7.295  -1.552
  167    HA   LEU  45           HA       LEU  45   1.192  -5.598  -2.718
  168    HG   LEU  45           HG       LEU  45   0.983  -7.022  -0.133
  169    HB2  LEU  45           2HB      LEU  45   2.996  -5.607  -0.278
  170    HB3  LEU  45           3HB      LEU  45   2.029  -4.208  -0.625
  171   HD11  LEU  45          1HD1      LEU  45   0.145  -5.907   1.943
  172   HD12  LEU  45          2HD1      LEU  45   1.906  -5.741   1.787
  173   HD13  LEU  45          3HD1      LEU  45   0.880  -4.362   1.381
  174   HD21  LEU  45          3HD2      LEU  45  -1.274  -5.896  -0.032
  175   HD22  LEU  45          1HD2      LEU  45  -0.520  -4.417  -0.668
  176   HD23  LEU  45          2HD2      LEU  45  -0.590  -5.861  -1.657
  177    H    LYS  46           H        LYS  46   4.675  -5.428  -2.546
  178    HA   LYS  46           HA       LYS  46   5.169  -2.775  -3.831
  179    HB2  LYS  46           2HB      LYS  46   6.757  -4.295  -2.481
  180    HB3  LYS  46           3HB      LYS  46   6.732  -5.412  -3.834
  181    HG2  LYS  46           2HG      LYS  46   7.541  -2.506  -4.070
  182    HG3  LYS  46           3HG      LYS  46   8.678  -3.767  -3.631
  183    HD2  LYS  46           2HD      LYS  46   7.146  -3.815  -6.284
  184    HD3  LYS  46           3HD      LYS  46   8.663  -3.008  -5.977
  185    HE2  LYS  46           2HE      LYS  46   9.404  -5.010  -6.868
  186    HE3  LYS  46           3HE      LYS  46   9.527  -5.327  -5.139
  187    HZ1  LYS  46           3HZ      LYS  46   7.377  -6.306  -6.981
  188    HZ2  LYS  46           1HZ      LYS  46   8.522  -7.186  -6.276
  189    HZ3  LYS  46           2HZ      LYS  46   7.343  -6.547  -5.360
  190    H    ASP  47           H        ASP  47   4.828  -6.149  -5.043
  191    HA   ASP  47           HA       ASP  47   4.822  -5.185  -7.736
  192    HB2  ASP  47           2HB      ASP  47   4.419  -7.745  -6.380
  193    HB3  ASP  47           3HB      ASP  47   3.145  -7.530  -7.522
  194    H    LEU  48           H        LEU  48   1.903  -5.799  -5.709
  195    HA   LEU  48           HA       LEU  48   0.256  -4.723  -7.746
  196    HG   LEU  48           HG       LEU  48  -1.948  -3.895  -7.237
  197    HB2  LEU  48           2HB      LEU  48  -0.774  -5.889  -5.982
  198    HB3  LEU  48           3HB      LEU  48  -0.302  -4.681  -4.783
  199   HD11  LEU  48          1HD1      LEU  48  -2.994  -4.991  -4.619
  200   HD12  LEU  48          2HD1      LEU  48  -3.983  -4.090  -5.772
  201   HD13  LEU  48          3HD1      LEU  48  -3.252  -5.609  -6.285
  202   HD21  LEU  48          3HD2      LEU  48  -1.323  -1.977  -6.157
  203   HD22  LEU  48          1HD2      LEU  48  -2.882  -2.284  -5.500
  204   HD23  LEU  48          2HD2      LEU  48  -1.463  -2.720  -4.521
  205    H    ALA  49           H        ALA  49   1.815  -2.916  -5.049
  206    HA   ALA  49           HA       ALA  49   0.739  -0.414  -5.690
  207    HB1  ALA  49           1HB      ALA  49   3.338  -1.398  -4.475
  208    HB2  ALA  49           2HB      ALA  49   2.936   0.317  -4.519
  209    HB3  ALA  49           3HB      ALA  49   1.855  -0.807  -3.667
  210    H    ARG  50           H        ARG  50   3.508  -2.063  -7.095
  211    HA   ARG  50           HA       ARG  50   4.294   0.014  -8.960
  212    HE   ARG  50           HE       ARG  50   8.052  -0.674  -5.463
  213    HB2  ARG  50           2HB      ARG  50   4.952  -2.929  -8.560
  214    HB3  ARG  50           3HB      ARG  50   5.551  -2.032  -9.936
  215    HG2  ARG  50           2HG      ARG  50   7.206  -2.150  -8.125
  216    HG3  ARG  50           3HG      ARG  50   6.769  -0.545  -8.600
  217    HD2  ARG  50           2HD      ARG  50   5.411  -0.279  -6.546
  218    HD3  ARG  50           3HD      ARG  50   6.166  -1.721  -5.955
  219   HH11  ARG  50          2HH2      ARG  50   6.507   1.561  -7.692
  220   HH12  ARG  50          1HH2      ARG  50   7.906   2.611  -7.681
  221   HH21  ARG  50          1HH1      ARG  50   9.722   0.731  -5.499
  222   HH22  ARG  50          2HH1      ARG  50   9.591   2.219  -6.400
  223    H    GLU  51           H        GLU  51   1.909  -2.619  -9.116
  224    HA   GLU  51           HA       GLU  51   1.179  -2.371 -11.891
  225    HB2  GLU  51           2HB      GLU  51  -0.699  -3.001  -9.594
  226    HB3  GLU  51           3HB      GLU  51  -1.073  -3.149 -11.215
  227    HG2  GLU  51           2HG      GLU  51   1.299  -4.596 -10.048
  228    HG3  GLU  51           3HG      GLU  51  -0.229  -5.219  -9.682
  229    H    ASN  52           H        ASN  52   0.350  -0.690  -9.014
  230    HA   ASN  52           HA       ASN  52  -1.876   0.812 -10.189
  231    HB2  ASN  52           2HB      ASN  52  -0.886  -0.207  -7.558
  232    HB3  ASN  52           3HB      ASN  52  -1.725   1.243  -7.463
  233   HD21  ASN  52          2HD2      ASN  52  -1.941  -2.100  -8.355
  234   HD22  ASN  52          1HD2      ASN  52  -3.702  -2.176  -8.321
  235    H    SER  53           H        SER  53   1.364   1.571  -9.452
  236    HA   SER  53           HA       SER  53   2.460   3.406 -10.356
  237    HG   SER  53           HG       SER  53  -0.500   3.982 -11.629
  238    HB2  SER  53           2HB      SER  53   0.045   5.189  -9.907
  239    HB3  SER  53           3HB      SER  53   1.567   5.596 -10.688
  240    H    LEU  54           H        LEU  54   1.678   2.511  -7.457
  241    HA   LEU  54           HA       LEU  54   2.540   4.815  -5.815
  242    HG   LEU  54           HG       LEU  54   0.027   2.693  -4.634
  243    HB2  LEU  54           2HB      LEU  54   1.973   1.914  -5.365
  244    HB3  LEU  54           3HB      LEU  54   2.935   2.697  -4.180
  245   HD11  LEU  54          1HD1      LEU  54   1.390   1.790  -2.627
  246   HD12  LEU  54          2HD1      LEU  54   1.596   3.476  -2.140
  247   HD13  LEU  54          3HD1      LEU  54  -0.022   2.758  -2.237
  248   HD21  LEU  54          3HD2      LEU  54  -0.427   4.909  -3.694
  249   HD22  LEU  54          1HD2      LEU  54   1.293   5.320  -3.775
  250   HD23  LEU  54          2HD2      LEU  54   0.350   5.037  -5.264
  251    H    GLU  55           H        GLU  55   4.369   4.594  -4.531
  252    HA   GLU  55           HA       GLU  55   6.730   3.224  -5.653
  253    HB2  GLU  55           2HB      GLU  55   6.545   5.568  -6.557
  254    HB3  GLU  55           3HB      GLU  55   6.489   6.166  -4.916
  255    HG2  GLU  55           2HG      GLU  55   8.646   6.511  -5.759
  256    HG3  GLU  55           3HG      GLU  55   8.771   5.297  -4.500
  257    H    THR  56           H        THR  56   5.656   5.247  -3.188
  258    HA   THR  56           HA       THR  56   6.082   5.557  -0.953
  259    HB   THR  56           HB       THR  56   5.515   3.800   0.471
  260    HG1  THR  56           1HG      THR  56   6.358   2.138  -1.641
  261   HG21  THR  56          1HG2      THR  56   3.553   2.747  -0.469
  262   HG22  THR  56          2HG2      THR  56   3.631   4.443  -0.893
  263   HG23  THR  56          3HG2      THR  56   4.051   3.200  -2.107
  264    H    THR  57           H        THR  57   7.413   4.454   1.092
  265    HA   THR  57           HA       THR  57  10.291   4.271   0.237
  266    HB   THR  57           HB       THR  57   9.154   4.232   3.053
  267    HG1  THR  57           1HG      THR  57  10.133   6.475   1.601
  268   HG21  THR  57          1HG2      THR  57  11.456   3.509   2.959
  269   HG22  THR  57          2HG2      THR  57  11.909   4.929   1.984
  270   HG23  THR  57          3HG2      THR  57  11.377   5.130   3.666
  271    H    PHE  58           H        PHE  58   7.768   2.654   2.188
  272    HA   PHE  58           HA       PHE  58   8.804  -0.018   1.777
  273    HD1  PHE  58           HD2      PHE  58   9.107   3.156   4.881
  274    HD2  PHE  58           HD1      PHE  58   9.063  -1.088   5.678
  275    HE1  PHE  58           HE2      PHE  58   8.838   3.599   7.299
  276    HE2  PHE  58           HE1      PHE  58   8.674  -0.631   8.084
  277    HZ   PHE  58           HZ       PHE  58   8.638   1.718   8.908
  278    HB2  PHE  58           2HB      PHE  58   9.937  -0.286   3.666
  279    HB3  PHE  58           3HB      PHE  58  10.388   1.345   3.425
  280    H    SER  59           H        SER  59   7.784  -1.578   3.365
  281    HA   SER  59           HA       SER  59   5.323  -0.585   4.649
  282    HG   SER  59           HG       SER  59   3.328  -2.068   4.437
  283    HB2  SER  59           2HB      SER  59   4.449  -1.387   2.667
  284    HB3  SER  59           3HB      SER  59   5.418  -2.859   2.708
  285    H    SER  60           H        SER  60   4.645  -1.769   6.352
  286    HA   SER  60           HA       SER  60   6.307  -3.984   7.501
  287    HG   SER  60           HG       SER  60   6.773  -2.753   9.538
  288    HB2  SER  60           2HB      SER  60   4.150  -2.140   8.560
  289    HB3  SER  60           3HB      SER  60   4.662  -3.594   9.450
  290    H    VAL  61           H        VAL  61   5.672  -5.912   6.716
  291    HA   VAL  61           HA       VAL  61   2.795  -6.688   6.771
  292    HB   VAL  61           HB       VAL  61   4.579  -7.842   4.631
  293   HG11  VAL  61          1HG1      VAL  61   1.576  -7.358   4.858
  294   HG12  VAL  61          2HG1      VAL  61   2.354  -8.023   3.438
  295   HG13  VAL  61          3HG1      VAL  61   2.395  -8.922   4.953
  296   HG21  VAL  61          3HG2      VAL  61   3.065  -5.239   4.256
  297   HG22  VAL  61          1HG2      VAL  61   4.803  -5.473   4.113
  298   HG23  VAL  61          2HG2      VAL  61   3.708  -6.233   2.964
  299    H    ASN  62           H        ASN  62   2.539  -9.044   7.014
  300    HA   ASN  62           HA       ASN  62   2.921 -11.094   7.846
  301    HB2  ASN  62           2HB      ASN  62   5.794 -10.586   6.974
  302    HB3  ASN  62           3HB      ASN  62   5.139 -12.149   7.431
  303   HD21  ASN  62          1HD2      ASN  62   6.034 -10.603   4.731
  304   HD22  ASN  62          2HD2      ASN  62   4.867 -11.420   3.676
  305    H    THR  63           H        THR  63   4.160  -8.539   9.545
  306    HA   THR  63           HA       THR  63   4.414 -10.217  12.005
  307    HB   THR  63           HB       THR  63   6.638  -9.598  11.176
  308    HG1  THR  63           1HG      THR  63   5.925  -8.301  13.554
  309   HG21  THR  63          1HG2      THR  63   6.314  -7.474  10.090
  310   HG22  THR  63          2HG2      THR  63   5.791  -6.709  11.605
  311   HG23  THR  63          3HG2      THR  63   7.466  -7.271  11.415
  312    H    ARG  64           H        ARG  64   2.220  -8.603  10.754
  313    HA   ARG  64           HA       ARG  64   1.397  -6.878  13.011
  314    HE   ARG  64           HE       ARG  64  -1.932  -4.351   9.862
  315    HB2  ARG  64           2HB      ARG  64   2.805  -5.400  11.809
  316    HB3  ARG  64           3HB      ARG  64   2.230  -5.913  10.243
  317    HG2  ARG  64           2HG      ARG  64   0.262  -4.573  12.093
  318    HG3  ARG  64           3HG      ARG  64   1.534  -3.595  11.373
  319    HD2  ARG  64           2HD      ARG  64   0.798  -3.880   9.185
  320    HD3  ARG  64           3HD      ARG  64   0.024  -5.418   9.531
  321   HH11  ARG  64          1HH1      ARG  64   0.440  -1.831  10.523
  322   HH12  ARG  64          2HH1      ARG  64  -0.820  -0.619  10.660
  323   HH21  ARG  64          1HH2      ARG  64  -3.371  -2.890  10.199
  324   HH22  ARG  64          2HH2      ARG  64  -2.911  -1.179  10.433
  325    H    ASP  65           H        ASP  65  -0.740  -6.350  13.010
  326    HA   ASP  65           HA       ASP  65  -2.934  -6.323  12.689
  327    HB2  ASP  65           2HB      ASP  65  -2.099  -6.403  10.034
  328    HB3  ASP  65           3HB      ASP  65  -3.247  -7.710  10.127
  329    H    PHE  66           H        PHE  66  -4.859  -7.894  11.774
  330    HA   PHE  66           HA       PHE  66  -5.399  -9.786  13.668
  331    HD1  PHE  66           HD1      PHE  66  -6.332 -12.077  10.425
  332    HD2  PHE  66           HD2      PHE  66  -6.772  -7.828   9.860
  333    HE1  PHE  66           HE1      PHE  66  -6.159 -12.385   7.965
  334    HE2  PHE  66           HE2      PHE  66  -6.741  -8.174   7.395
  335    HZ   PHE  66           HZ       PHE  66  -6.407 -10.438   6.441
  336    HB2  PHE  66           2HB      PHE  66  -7.209 -10.476  12.272
  337    HB3  PHE  66           3HB      PHE  66  -6.970  -8.754  12.062
  338    H    ASP  67           H        ASP  67  -3.638 -10.401  10.704
  339    HA   ASP  67           HA       ASP  67  -2.281 -12.719  11.657
  340    HB2  ASP  67           2HB      ASP  67  -4.485 -13.832  11.116
  341    HB3  ASP  67           3HB      ASP  67  -4.324 -13.257   9.455
  342    H    GLY  68           H        GLY  68  -3.456 -10.870   8.822
  343    HA2  GLY  68           2HA      GLY  68  -0.836  -9.887   8.308
  344    HA3  GLY  68           3HA      GLY  68  -1.235 -11.092   7.095
  345    H    THR  69           H        THR  69  -1.082  -8.022   7.586
  346    HA   THR  69           HA       THR  69  -2.582  -7.230   5.153
  347    HB   THR  69           HB       THR  69  -3.409  -5.235   6.015
  348    HG1  THR  69           1HG      THR  69  -3.271  -4.917   8.374
  349   HG21  THR  69          1HG2      THR  69  -5.061  -5.887   7.732
  350   HG22  THR  69          2HG2      THR  69  -4.931  -7.094   6.427
  351   HG23  THR  69          3HG2      THR  69  -4.193  -7.395   8.011
  352    H    GLY  70           H        GLY  70  -1.541  -5.308   4.277
  353    HA2  GLY  70           2HA      GLY  70   1.287  -4.996   5.232
  354    HA3  GLY  70           3HA      GLY  70   0.698  -4.459   3.659
  355    H    ALA  71           H        ALA  71   2.062  -2.958   5.690
  356    HA   ALA  71           HA       ALA  71   0.107  -0.762   5.470
  357    HB1  ALA  71           1HB      ALA  71  -0.004  -1.634   7.775
  358    HB2  ALA  71           2HB      ALA  71   1.749  -1.417   7.973
  359    HB3  ALA  71           3HB      ALA  71   0.674  -0.007   7.792
  360    H    LEU  72           H        LEU  72   0.948   0.825   4.276
  361    HA   LEU  72           HA       LEU  72   3.846   0.738   3.503
  362    HG   LEU  72           HG       LEU  72   2.021   0.776   0.269
  363    HB2  LEU  72           2HB      LEU  72   1.377   1.813   2.278
  364    HB3  LEU  72           3HB      LEU  72   2.864   2.418   1.802
  365   HD11  LEU  72          1HD1      LEU  72   4.063   0.461  -0.386
  366   HD12  LEU  72          2HD1      LEU  72   4.640   1.069   1.167
  367   HD13  LEU  72          3HD1      LEU  72   4.425  -0.651   0.896
  368   HD21  LEU  72          3HD2      LEU  72   2.346  -1.294   2.436
  369   HD22  LEU  72          1HD2      LEU  72   0.870  -0.777   1.638
  370   HD23  LEU  72          2HD2      LEU  72   2.107  -1.632   0.705
  371    H    GLU  73           H        GLU  73   5.009   2.653   3.416
  372    HA   GLU  73           HA       GLU  73   3.992   5.095   4.945
  373    HB2  GLU  73           2HB      GLU  73   5.239   3.656   6.369
  374    HB3  GLU  73           3HB      GLU  73   6.593   3.575   5.254
  375    HG2  GLU  73           2HG      GLU  73   7.382   5.669   5.765
  376    HG3  GLU  73           3HG      GLU  73   5.811   6.321   6.180
  377    H    PHE  74           H        PHE  74   4.830   7.178   4.314
  378    HA   PHE  74           HA       PHE  74   7.165   7.321   2.585
  379    HD1  PHE  74           HD1      PHE  74   7.560   6.713   0.475
  380    HD2  PHE  74           HD2      PHE  74   5.597  10.480   0.013
  381    HE1  PHE  74           HE1      PHE  74   9.199   7.328  -1.296
  382    HE2  PHE  74           HE2      PHE  74   7.266  11.158  -1.673
  383    HZ   PHE  74           HZ       PHE  74   9.060   9.573  -2.357
  384    HB2  PHE  74           2HB      PHE  74   4.760   7.382   1.176
  385    HB3  PHE  74           3HB      PHE  74   4.902   9.031   1.648
  386    HA   PRO  75           HA       PRO  75   7.862  11.362   4.557
  387    HB2  PRO  75           2HB      PRO  75   8.911  12.006   1.786
  388    HB3  PRO  75           3HB      PRO  75   9.602  12.473   3.365
  389    HG2  PRO  75           2HG      PRO  75  10.626  10.367   2.050
  390    HG3  PRO  75           3HG      PRO  75  10.283  10.199   3.801
  391    HD2  PRO  75           2HD      PRO  75   8.652   9.282   1.458
  392    HD3  PRO  75           3HD      PRO  75   9.015   8.416   2.981
  393    H    SER  76           H        SER  76   5.693  11.095   1.774
  394    HA   SER  76           HA       SER  76   4.647  13.854   2.338
  395    HG   SER  76           HG       SER  76   6.304  14.517  -0.644
  396    HB2  SER  76           2HB      SER  76   4.976  12.561  -0.338
  397    HB3  SER  76           3HB      SER  76   4.286  14.139  -0.042
  398    H    GLU  77           H        GLU  77   2.507  13.864   2.677
  399    HA   GLU  77           HA       GLU  77   0.851  11.615   2.451
  400    HB2  GLU  77           2HB      GLU  77  -1.052  13.137   2.783
  401    HB3  GLU  77           3HB      GLU  77   0.283  13.359   3.902
  402    HG2  GLU  77           2HG      GLU  77   1.047  15.326   2.543
  403    HG3  GLU  77           3HG      GLU  77  -0.372  15.114   1.505
  404    H    GLU  78           H        GLU  78   1.905  13.579  -0.126
  405    HA   GLU  78           HA       GLU  78  -0.064  13.370  -2.107
  406    HB2  GLU  78           2HB      GLU  78   2.936  12.784  -2.306
  407    HB3  GLU  78           3HB      GLU  78   1.878  13.127  -3.680
  408    HG2  GLU  78           2HG      GLU  78   1.501  15.410  -2.864
  409    HG3  GLU  78           3HG      GLU  78   2.433  15.086  -1.397
  410    H    ILE  79           H        ILE  79   2.282  10.864  -1.098
  411    HA   ILE  79           HA       ILE  79   1.306   8.853  -2.959
  412    HB   ILE  79           HB       ILE  79   3.206   8.661  -0.597
  413   HG12  ILE  79          2HG1      ILE  79   3.464   9.813  -3.275
  414   HG13  ILE  79          3HG1      ILE  79   4.375  10.088  -1.864
  415   HG21  ILE  79          1HG2      ILE  79   2.929   6.725  -2.930
  416   HG22  ILE  79          2HG2      ILE  79   4.038   6.591  -1.539
  417   HG23  ILE  79          3HG2      ILE  79   2.311   6.421  -1.298
  418   HD11  ILE  79          3HD1      ILE  79   5.818   9.264  -3.606
  419   HD12  ILE  79          1HD1      ILE  79   5.709   7.979  -2.391
  420   HD13  ILE  79          2HD1      ILE  79   4.781   7.860  -3.901
  421    H    LEU  80           H        LEU  80   0.766   9.578   0.442
  422    HA   LEU  80           HA       LEU  80  -0.668   7.278   1.216
  423    HG   LEU  80           HG       LEU  80  -2.864   9.870   2.492
  424    HB2  LEU  80           2HB      LEU  80  -0.089   8.652   2.950
  425    HB3  LEU  80           3HB      LEU  80  -0.445  10.110   2.127
  426   HD11  LEU  80          1HD1      LEU  80  -3.714   8.321   4.129
  427   HD12  LEU  80          2HD1      LEU  80  -2.940   7.402   2.835
  428   HD13  LEU  80          3HD1      LEU  80  -2.095   7.643   4.392
  429   HD21  LEU  80          3HD2      LEU  80  -1.486  11.198   4.013
  430   HD22  LEU  80          1HD2      LEU  80  -2.809  10.386   4.880
  431   HD23  LEU  80          2HD2      LEU  80  -1.154   9.746   4.990
  432    H    VAL  81           H        VAL  81  -1.738  10.392  -0.185
  433    HA   VAL  81           HA       VAL  81  -4.585   9.766  -0.131
  434    HB   VAL  81           HB       VAL  81  -2.966  12.000  -1.472
  435   HG11  VAL  81          1HG1      VAL  81  -5.996  11.782  -1.194
  436   HG12  VAL  81          2HG1      VAL  81  -5.116  13.249  -1.683
  437   HG13  VAL  81          3HG1      VAL  81  -5.065  11.819  -2.711
  438   HG21  VAL  81          3HG2      VAL  81  -3.032  12.018   1.043
  439   HG22  VAL  81          1HG2      VAL  81  -3.766  13.434   0.291
  440   HG23  VAL  81          2HG2      VAL  81  -4.797  12.135   0.954
  441    H    GLU  82           H        GLU  82  -2.029   9.680  -2.602
  442    HA   GLU  82           HA       GLU  82  -3.539   8.900  -4.787
  443    HB2  GLU  82           2HB      GLU  82  -0.816   8.640  -3.580
  444    HB3  GLU  82           3HB      GLU  82  -1.219   7.371  -4.573
  445    HG2  GLU  82           2HG      GLU  82  -0.934  10.297  -5.172
  446    HG3  GLU  82           3HG      GLU  82  -0.001   8.961  -5.836
  447    H    ALA  83           H        ALA  83  -1.847   6.623  -2.504
  448    HA   ALA  83           HA       ALA  83  -3.142   4.249  -3.323
  449    HB1  ALA  83           1HB      ALA  83  -2.424   4.908  -0.460
  450    HB2  ALA  83           2HB      ALA  83  -2.435   3.316  -1.270
  451    HB3  ALA  83           3HB      ALA  83  -1.222   4.543  -1.699
  452    H    LEU  84           H        LEU  84  -4.387   6.572  -0.944
  453    HA   LEU  84           HA       LEU  84  -6.698   5.020  -0.080
  454    HG   LEU  84           HG       LEU  84  -4.877   7.715   1.645
  455    HB2  LEU  84           2HB      LEU  84  -6.294   8.040  -0.030
  456    HB3  LEU  84           3HB      LEU  84  -7.608   7.213   0.685
  457   HD11  LEU  84          1HD1      LEU  84  -6.878   8.708   2.592
  458   HD12  LEU  84          2HD1      LEU  84  -7.488   7.094   3.035
  459   HD13  LEU  84          3HD1      LEU  84  -6.008   7.737   3.792
  460   HD21  LEU  84          3HD2      LEU  84  -4.961   5.722   3.183
  461   HD22  LEU  84          1HD2      LEU  84  -6.199   5.041   2.042
  462   HD23  LEU  84          2HD2      LEU  84  -4.556   5.363   1.484
  463    H    GLU  85           H        GLU  85  -6.154   7.205  -2.797
  464    HA   GLU  85           HA       GLU  85  -8.950   6.757  -3.577
  465    HB2  GLU  85           2HB      GLU  85  -6.712   8.404  -4.835
  466    HB3  GLU  85           3HB      GLU  85  -8.362   8.313  -5.476
  467    HG2  GLU  85           2HG      GLU  85  -9.266   9.359  -3.490
  468    HG3  GLU  85           3HG      GLU  85  -7.679   9.393  -2.723
  469    H    ARG  86           H        ARG  86  -5.957   5.120  -4.133
  470    HA   ARG  86           HA       ARG  86  -6.618   4.364  -6.956
  471    HE   ARG  86           HE       ARG  86  -3.841   8.229  -8.102
  472    HB2  ARG  86           2HB      ARG  86  -4.159   5.016  -5.379
  473    HB3  ARG  86           3HB      ARG  86  -3.939   3.727  -6.336
  474    HG2  ARG  86           2HG      ARG  86  -3.249   5.738  -7.494
  475    HG3  ARG  86           3HG      ARG  86  -4.650   5.100  -8.387
  476    HD2  ARG  86           2HD      ARG  86  -6.181   6.602  -7.227
  477    HD3  ARG  86           3HD      ARG  86  -4.870   7.148  -6.166
  478   HH11  ARG  86          1HH1      ARG  86  -7.352   8.128  -7.841
  479   HH12  ARG  86          2HH1      ARG  86  -7.389   9.776  -7.234
  480   HH21  ARG  86          1HH2      ARG  86  -4.090  10.380  -7.569
  481   HH22  ARG  86          2HH2      ARG  86  -5.712  11.011  -7.340
  482    H    LEU  87           H        LEU  87  -5.963   3.012  -3.757
  483    HA   LEU  87           HA       LEU  87  -6.392   0.286  -4.774
  484    HG   LEU  87           HG       LEU  87  -3.994  -0.271  -4.947
  485    HB2  LEU  87           2HB      LEU  87  -4.585   1.439  -2.615
  486    HB3  LEU  87           3HB      LEU  87  -5.015  -0.205  -2.711
  487   HD11  LEU  87          1HD1      LEU  87  -3.408   2.528  -4.514
  488   HD12  LEU  87          2HD1      LEU  87  -2.222   1.522  -5.368
  489   HD13  LEU  87          3HD1      LEU  87  -3.890   1.565  -5.961
  490   HD21  LEU  87          3HD2      LEU  87  -1.653  -0.306  -4.143
  491   HD22  LEU  87          1HD2      LEU  87  -2.133   0.672  -2.740
  492   HD23  LEU  87          2HD2      LEU  87  -2.731  -0.996  -2.927
  493    H    ASN  88           H        ASN  88  -8.170   2.586  -3.186
  494    HA   ASN  88           HA       ASN  88  -9.033   1.038  -0.908
  495    HB2  ASN  88           2HB      ASN  88  -9.168   3.396  -0.794
  496    HB3  ASN  88           3HB      ASN  88 -10.246   3.466  -2.193
  497   HD21  ASN  88          1HD2      ASN  88  -9.966   2.330   1.200
  498   HD22  ASN  88          2HD2      ASN  88 -11.699   2.274   1.462
  499    H    ASN  89           H        ASN  89  -9.533  -0.968  -1.556
  500    HA   ASN  89           HA       ASN  89 -10.950  -2.673  -1.782
  501    HB2  ASN  89           2HB      ASN  89 -12.561  -1.267  -0.656
  502    HB3  ASN  89           3HB      ASN  89 -13.189  -0.701  -2.195
  503   HD21  ASN  89          1HD2      ASN  89 -12.694  -3.502  -0.068
  504   HD22  ASN  89          2HD2      ASN  89 -14.003  -4.471  -0.746
  505    H    ILE  90           H        ILE  90  -9.292  -2.635  -3.454
  506    HA   ILE  90           HA       ILE  90 -10.374  -2.772  -6.250
  507    HB   ILE  90           HB       ILE  90  -8.069  -2.318  -7.034
  508   HG12  ILE  90          2HG1      ILE  90  -7.079  -1.728  -4.288
  509   HG13  ILE  90          3HG1      ILE  90  -7.001  -3.360  -4.871
  510   HG21  ILE  90          1HG2      ILE  90  -8.940  -0.213  -5.036
  511   HG22  ILE  90          2HG2      ILE  90  -7.985  -0.002  -6.517
  512   HG23  ILE  90          3HG2      ILE  90  -9.678  -0.479  -6.621
  513   HD11  ILE  90          3HD1      ILE  90  -5.811  -1.077  -6.426
  514   HD12  ILE  90          1HD1      ILE  90  -4.982  -2.184  -5.301
  515   HD13  ILE  90          2HD1      ILE  90  -5.724  -2.827  -6.773
  516    H    GLU  91           H        GLU  91  -9.857  -4.493  -7.531
  517    HA   GLU  91           HA       GLU  91  -9.157  -6.933  -6.096
  518    HB2  GLU  91           2HB      GLU  91 -11.001  -7.001  -7.519
  519    HB3  GLU  91           3HB      GLU  91 -10.070  -6.336  -8.833
  520    HG2  GLU  91           2HG      GLU  91  -8.944  -8.855  -7.790
  521    HG3  GLU  91           3HG      GLU  91 -10.599  -8.992  -8.287
  522    H    PHE  92           H        PHE  92  -7.352  -7.564  -5.816
  523    HA   PHE  92           HA       PHE  92  -4.899  -6.632  -7.134
  524    HD1  PHE  92           HD2      PHE  92  -2.680  -8.116  -6.734
  525    HD2  PHE  92           HD1      PHE  92  -3.937  -7.466  -2.654
  526    HE1  PHE  92           HE2      PHE  92  -0.388  -8.556  -5.951
  527    HE2  PHE  92           HE1      PHE  92  -1.615  -7.867  -1.894
  528    HZ   PHE  92           HZ       PHE  92   0.161  -8.367  -3.550
  529    HB2  PHE  92           2HB      PHE  92  -5.279  -6.537  -4.709
  530    HB3  PHE  92           3HB      PHE  92  -5.558  -8.148  -4.583
  531    H    ARG  93           H        ARG  93  -5.029  -7.846  -9.081
  532    HA   ARG  93           HA       ARG  93  -4.786  -9.581 -10.518
  533    HE   ARG  93           HE       ARG  93  -0.121  -7.783 -11.073
  534    HB2  ARG  93           2HB      ARG  93  -2.754 -10.397  -8.412
  535    HB3  ARG  93           3HB      ARG  93  -2.812 -11.048 -10.046
  536    HG2  ARG  93           2HG      ARG  93  -2.401  -8.823 -11.012
  537    HG3  ARG  93           3HG      ARG  93  -2.297  -8.125  -9.376
  538    HD2  ARG  93           2HD      ARG  93  -0.445  -9.613  -8.809
  539    HD3  ARG  93           3HD      ARG  93  -0.567 -10.425 -10.381
  540   HH11  ARG  93          1HH1      ARG  93   1.636 -10.102  -9.059
  541   HH12  ARG  93          2HH1      ARG  93   3.169  -9.294  -9.399
  542   HH21  ARG  93          1HH2      ARG  93   2.018  -6.953 -11.504
  543   HH22  ARG  93          2HH2      ARG  93   3.350  -7.711 -10.613
  544    H    GLY  94           H        GLY  94  -6.920 -10.113  -8.543
  545    HA2  GLY  94           2HA      GLY  94  -8.364 -12.107  -8.836
  546    HA3  GLY  94           3HA      GLY  94  -6.965 -13.121  -8.489
  547    H    SER  95           H        SER  95  -6.604 -10.629  -6.208
  548    HA   SER  95           HA       SER  95  -8.524 -11.835  -4.260
  549    HG   SER  95           HG       SER  95  -5.241 -12.691  -3.092
  550    HB2  SER  95           2HB      SER  95  -5.811 -10.542  -3.694
  551    HB3  SER  95           3HB      SER  95  -6.957 -11.206  -2.527
  552    H    VAL  96           H        VAL  96  -8.311  -9.619  -2.479
  553    HA   VAL  96           HA       VAL  96  -8.375  -7.207  -4.113
  554    HB   VAL  96           HB       VAL  96 -10.448  -6.857  -4.420
  555   HG11  VAL  96          1HG1      VAL  96 -12.312  -8.215  -3.725
  556   HG12  VAL  96          2HG1      VAL  96 -10.990  -9.103  -4.465
  557   HG13  VAL  96          3HG1      VAL  96 -11.214  -9.168  -2.687
  558   HG21  VAL  96          3HG2      VAL  96 -12.022  -6.116  -2.798
  559   HG22  VAL  96          1HG2      VAL  96 -11.005  -6.705  -1.467
  560   HG23  VAL  96          2HG2      VAL  96 -10.463  -5.372  -2.527
  561    H    ILE  97           H        ILE  97  -8.037  -5.311  -2.837
  562    HA   ILE  97           HA       ILE  97  -7.587  -5.640   0.073
  563    HB   ILE  97           HB       ILE  97  -5.736  -3.894  -0.200
  564   HG12  ILE  97          2HG1      ILE  97  -5.549  -5.124  -2.947
  565   HG13  ILE  97          3HG1      ILE  97  -6.150  -3.492  -2.619
  566   HG21  ILE  97          1HG2      ILE  97  -5.361  -6.142   0.668
  567   HG22  ILE  97          2HG2      ILE  97  -5.158  -6.767  -0.984
  568   HG23  ILE  97          3HG2      ILE  97  -3.997  -5.577  -0.284
  569   HD11  ILE  97          3HD1      ILE  97  -3.318  -4.490  -2.194
  570   HD12  ILE  97          1HD1      ILE  97  -3.897  -3.241  -3.310
  571   HD13  ILE  97          2HD1      ILE  97  -3.935  -2.931  -1.570
  572    H    THR  98           H        THR  98  -7.924  -3.885   1.264
  573    HA   THR  98           HA       THR  98  -9.218  -1.480   0.083
  574    HB   THR  98           HB       THR  98  -9.863  -2.845   2.689
  575    HG1  THR  98           1HG      THR  98 -10.686  -4.041   0.990
  576   HG21  THR  98          1HG2      THR  98 -11.228  -0.542   1.260
  577   HG22  THR  98          2HG2      THR  98 -11.820  -1.351   2.726
  578   HG23  THR  98          3HG2      THR  98 -10.302  -0.432   2.774
  579    H    VAL  99           H        VAL  99  -8.346   0.369   0.753
  580    HA   VAL  99           HA       VAL  99  -6.205   0.201   2.794
  581    HB   VAL  99           HB       VAL  99  -4.734   1.517   1.518
  582   HG11  VAL  99          1HG1      VAL  99  -4.888  -0.907   0.893
  583   HG12  VAL  99          2HG1      VAL  99  -5.972  -0.475  -0.418
  584   HG13  VAL  99          3HG1      VAL  99  -4.307   0.135  -0.408
  585   HG21  VAL  99          3HG2      VAL  99  -7.052   1.784  -0.378
  586   HG22  VAL  99          1HG2      VAL  99  -6.234   3.078   0.511
  587   HG23  VAL  99          2HG2      VAL  99  -5.368   2.238  -0.766
  588    H    GLU 100           H        GLU 100  -5.734   1.870   3.982
  589    HA   GLU 100           HA       GLU 100  -7.036   4.517   3.858
  590    HB2  GLU 100           2HB      GLU 100  -8.382   4.316   5.857
  591    HB3  GLU 100           3HB      GLU 100  -9.003   3.232   4.655
  592    HG2  GLU 100           2HG      GLU 100  -7.116   2.211   6.815
  593    HG3  GLU 100           3HG      GLU 100  -8.813   2.497   7.153
  594    H    ARG 101           H        ARG 101  -6.635   5.747   5.900
  595    HA   ARG 101           HA       ARG 101  -3.835   5.643   6.567
  596    HE   ARG 101           HE       ARG 101  -9.169   8.960   7.596
  597    HB2  ARG 101           2HB      ARG 101  -4.372   7.576   7.917
  598    HB3  ARG 101           3HB      ARG 101  -5.088   7.682   6.327
  599    HG2  ARG 101           2HG      ARG 101  -7.247   6.656   7.608
  600    HG3  ARG 101           3HG      ARG 101  -6.433   7.356   9.002
  601    HD2  ARG 101           2HD      ARG 101  -6.287   9.538   7.668
  602    HD3  ARG 101           3HD      ARG 101  -7.208   8.759   6.400
  603   HH11  ARG 101          2HH2      ARG 101  -6.566   9.725   9.841
  604   HH12  ARG 101          1HH2      ARG 101  -7.662  10.495  10.953
  605   HH21  ARG 101          2HH1      ARG 101 -10.495   9.906   9.098
  606   HH22  ARG 101          1HH1      ARG 101  -9.816  10.563  10.557
  607    H    ASP 102           H        ASP 102  -2.782   5.006   8.289
  608    HA   ASP 102           HA       ASP 102  -4.115   3.160  10.231
  609    HB2  ASP 102           2HB      ASP 102  -2.619   2.290   8.378
  610    HB3  ASP 102           3HB      ASP 102  -1.285   3.097   9.133
  611    H    ASP 103           H        ASP 103  -1.895   5.909  10.087
  612    HA   ASP 103           HA       ASP 103  -1.652   5.851  13.062
  613    HB2  ASP 103           2HB      ASP 103   0.635   6.278  13.014
  614    HB3  ASP 103           3HB      ASP 103   0.417   4.991  11.837
  615    H    ASN 104           H        ASN 104  -2.826   7.639  10.539
  616    HA   ASN 104           HA       ASN 104  -2.540  10.230  11.951
  617    HB2  ASN 104           2HB      ASN 104  -0.861  10.022  10.084
  618    HB3  ASN 104           3HB      ASN 104  -2.204   9.856   8.950
  619   HD21  ASN 104          1HD2      ASN 104  -3.624  12.055  10.832
  620   HD22  ASN 104          2HD2      ASN 104  -2.889  13.524  10.173
  Start of MODEL   18
    1    HA   PRO  25           HA       PRO  25  10.518  14.020   8.371
    2    HB2  PRO  25           2HB      PRO  25  10.388  13.511   5.369
    3    HB3  PRO  25           3HB      PRO  25  11.754  14.170   6.340
    4    HG2  PRO  25           2HG      PRO  25  11.606  11.515   5.825
    5    HG3  PRO  25           3HG      PRO  25  12.060  12.083   7.461
    6    HD2  PRO  25           2HD      PRO  25   9.474  10.887   6.547
    7    HD3  PRO  25           3HD      PRO  25  10.238  10.834   8.147
    8    H    ALA  26           H        ALA  26   9.507  15.250   5.312
    9    HA   ALA  26           HA       ALA  26   8.279  17.617   6.203
   10    HB1  ALA  26           1HB      ALA  26   7.492  17.744   3.855
   11    HB2  ALA  26           2HB      ALA  26   9.185  17.204   3.943
   12    HB3  ALA  26           3HB      ALA  26   7.889  16.027   3.627
   13    H    LYS  27           H        LYS  27   6.843  14.500   5.393
   14    HA   LYS  27           HA       LYS  27   4.503  15.029   7.171
   15    HB2  LYS  27           2HB      LYS  27   4.365  14.549   4.353
   16    HB3  LYS  27           3HB      LYS  27   3.937  13.048   5.083
   17    HG2  LYS  27           2HG      LYS  27   2.613  15.714   5.755
   18    HG3  LYS  27           3HG      LYS  27   2.014  14.512   4.609
   19    HD2  LYS  27           2HD      LYS  27   2.120  12.835   6.591
   20    HD3  LYS  27           3HD      LYS  27   2.220  14.270   7.629
   21    HE2  LYS  27           2HE      LYS  27   0.007  13.486   5.723
   22    HE3  LYS  27           3HE      LYS  27  -0.038  13.380   7.468
   23    HZ1  LYS  27           3HZ      LYS  27   0.087  15.814   7.580
   24    HZ2  LYS  27           1HZ      LYS  27   0.174  15.930   5.940
   25    HZ3  LYS  27           2HZ      LYS  27  -1.174  15.382   6.640
   26    H    ARG  28           H        ARG  28   3.865  13.267   8.337
   27    HA   ARG  28           HA       ARG  28   5.104  10.636   7.813
   28    HE   ARG  28           HE       ARG  28   5.932   9.205  12.405
   29    HB2  ARG  28           2HB      ARG  28   4.641  12.351  10.289
   30    HB3  ARG  28           3HB      ARG  28   4.178  10.698  10.507
   31    HG2  ARG  28           2HG      ARG  28   6.914  11.379   9.384
   32    HG3  ARG  28           3HG      ARG  28   6.551  11.568  11.082
   33    HD2  ARG  28           2HD      ARG  28   6.372   9.009   9.443
   34    HD3  ARG  28           3HD      ARG  28   7.611   9.368  10.633
   35   HH11  ARG  28          1HH1      ARG  28   4.931   7.537   9.444
   36   HH12  ARG  28          2HH1      ARG  28   3.362   7.161  10.188
   37   HH21  ARG  28          1HH2      ARG  28   3.965   8.405  13.205
   38   HH22  ARG  28          2HH2      ARG  28   2.926   7.519  12.092
   39    H    TYR  29           H        TYR  29   3.775   9.218   7.208
   40    HA   TYR  29           HA       TYR  29   1.177   8.930   8.462
   41    HD1  TYR  29           HD1      TYR  29   0.106   6.968   5.263
   42    HD2  TYR  29           HD2      TYR  29   2.494  10.511   4.449
   43    HE1  TYR  29           HE1      TYR  29   0.977   5.906   3.196
   44    HE2  TYR  29           HE2      TYR  29   3.194   9.527   2.389
   45    HH   TYR  29           HH       TYR  29   2.958   7.642   0.879
   46    HB2  TYR  29           2HB      TYR  29  -0.172   8.931   6.523
   47    HB3  TYR  29           3HB      TYR  29   0.778  10.398   6.351
   48    H    ARG  30           H        ARG  30   0.353   6.835   8.115
   49    HA   ARG  30           HA       ARG  30   1.860   4.873   6.447
   50    HE   ARG  30           HE       ARG  30   4.539   3.498   8.129
   51    HB2  ARG  30           2HB      ARG  30   2.531   4.683   8.858
   52    HB3  ARG  30           3HB      ARG  30   0.842   4.576   9.262
   53    HG2  ARG  30           2HG      ARG  30   1.602   2.376   9.437
   54    HG3  ARG  30           3HG      ARG  30   0.706   2.417   7.927
   55    HD2  ARG  30           2HD      ARG  30   2.765   1.171   7.632
   56    HD3  ARG  30           3HD      ARG  30   2.844   2.643   6.687
   57   HH11  ARG  30          1HH1      ARG  30   3.500   0.401   9.403
   58   HH12  ARG  30          2HH1      ARG  30   4.840   0.340  10.510
   59   HH21  ARG  30          1HH2      ARG  30   6.036   3.436   9.524
   60   HH22  ARG  30          2HH2      ARG  30   6.223   2.117  10.688
   61    H    ILE  31           H        ILE  31   0.453   3.938   5.093
   62    HA   ILE  31           HA       ILE  31  -2.487   3.943   5.692
   63    HB   ILE  31           HB       ILE  31  -2.825   3.185   3.374
   64   HG12  ILE  31          2HG1      ILE  31   0.130   3.663   2.902
   65   HG13  ILE  31          3HG1      ILE  31  -0.631   2.077   3.108
   66   HG21  ILE  31          1HG2      ILE  31  -2.392   5.286   2.240
   67   HG22  ILE  31          2HG2      ILE  31  -2.979   5.528   3.887
   68   HG23  ILE  31          3HG2      ILE  31  -1.259   5.768   3.509
   69   HD11  ILE  31          3HD1      ILE  31  -0.394   2.430   0.755
   70   HD12  ILE  31          1HD1      ILE  31  -2.116   2.644   1.120
   71   HD13  ILE  31          2HD1      ILE  31  -1.056   4.061   0.868
   72    H    THR  32           H        THR  32  -3.536   1.973   5.118
   73    HA   THR  32           HA       THR  32  -2.019  -0.582   5.456
   74    HB   THR  32           HB       THR  32  -4.744   0.308   6.482
   75    HG1  THR  32           1HG      THR  32  -3.754  -0.031   8.448
   76   HG21  THR  32          1HG2      THR  32  -4.873  -1.967   7.561
   77   HG22  THR  32          2HG2      THR  32  -5.042  -1.981   5.806
   78   HG23  THR  32          3HG2      THR  32  -3.500  -2.479   6.554
   79    H    MET  33           H        MET  33  -2.513  -2.154   4.129
   80    HA   MET  33           HA       MET  33  -4.801  -1.863   2.289
   81    HB2  MET  33           2HB      MET  33  -2.085  -2.999   1.478
   82    HB3  MET  33           3HB      MET  33  -3.456  -2.627   0.441
   83    HG2  MET  33           2HG      MET  33  -3.104  -0.177   1.350
   84    HG3  MET  33           3HG      MET  33  -1.533  -0.788   1.809
   85    HE1  MET  33           3HE      MET  33  -0.335  -1.873  -1.855
   86    HE2  MET  33           1HE      MET  33  -0.173  -2.229  -0.107
   87    HE3  MET  33           2HE      MET  33  -1.622  -2.756  -0.992
   88    H    LYS  34           H        LYS  34  -6.190  -3.446   2.461
   89    HA   LYS  34           HA       LYS  34  -5.341  -6.268   2.602
   90    HB2  LYS  34           2HB      LYS  34  -7.313  -6.300   4.614
   91    HB3  LYS  34           3HB      LYS  34  -5.778  -6.635   4.717
   92    HG2  LYS  34           2HG      LYS  34  -6.489  -5.103   6.485
   93    HG3  LYS  34           3HG      LYS  34  -5.634  -3.997   5.391
   94    HD2  LYS  34           2HD      LYS  34  -7.845  -3.495   4.273
   95    HD3  LYS  34           3HD      LYS  34  -8.637  -4.644   5.335
   96    HE2  LYS  34           2HE      LYS  34  -8.064  -3.330   7.324
   97    HE3  LYS  34           3HE      LYS  34  -7.170  -2.167   6.330
   98    HZ1  LYS  34           3HZ      LYS  34  -9.168  -1.469   5.286
   99    HZ2  LYS  34           1HZ      LYS  34 -10.067  -2.689   5.947
  100    HZ3  LYS  34           2HZ      LYS  34  -9.486  -1.480   6.878
  101    H    ASN  35           H        ASN  35  -6.980  -7.711   2.690
  102    HA   ASN  35           HA       ASN  35  -9.481  -6.992   3.218
  103    HB2  ASN  35           2HB      ASN  35  -9.944  -5.938   1.300
  104    HB3  ASN  35           3HB      ASN  35  -8.973  -6.932   0.288
  105   HD21  ASN  35          1HD2      ASN  35  -9.957  -8.287  -1.072
  106   HD22  ASN  35          2HD2      ASN  35 -11.662  -8.741  -0.983
  107    H    LEU  36           H        LEU  36 -11.161  -8.980   2.615
  108    HA   LEU  36           HA       LEU  36 -10.487 -10.943   4.318
  109    HG   LEU  36           HG       LEU  36 -12.188 -12.801   4.499
  110    HB2  LEU  36           2HB      LEU  36 -12.684 -10.392   3.540
  111    HB3  LEU  36           3HB      LEU  36 -12.409 -11.125   1.970
  112   HD11  LEU  36          1HD1      LEU  36 -14.335 -11.609   4.650
  113   HD12  LEU  36          2HD1      LEU  36 -14.748 -12.108   2.994
  114   HD13  LEU  36          3HD1      LEU  36 -14.595 -13.320   4.292
  115   HD21  LEU  36          3HD2      LEU  36 -13.059 -14.588   2.990
  116   HD22  LEU  36          1HD2      LEU  36 -13.097 -13.434   1.643
  117   HD23  LEU  36          2HD2      LEU  36 -11.555 -13.928   2.368
  118    HA   PRO  37           HA       PRO  37  -9.037 -14.160   0.978
  119    HB2  PRO  37           2HB      PRO  37  -7.481 -12.305  -0.813
  120    HB3  PRO  37           3HB      PRO  37  -8.310 -13.838  -1.219
  121    HG2  PRO  37           2HG      PRO  37  -9.454 -11.463  -1.840
  122    HG3  PRO  37           3HG      PRO  37 -10.454 -12.779  -1.135
  123    HD2  PRO  37           2HD      PRO  37  -9.219 -10.402   0.257
  124    HD3  PRO  37           3HD      PRO  37 -10.885 -11.040   0.389
  125    H    GLU  38           H        GLU  38  -6.856 -11.315   1.513
  126    HA   GLU  38           HA       GLU  38  -4.854 -12.964   2.905
  127    HB2  GLU  38           2HB      GLU  38  -3.156 -12.540   1.274
  128    HB3  GLU  38           3HB      GLU  38  -4.530 -13.358   0.528
  129    HG2  GLU  38           2HG      GLU  38  -5.254 -11.310  -0.573
  130    HG3  GLU  38           3HG      GLU  38  -4.010 -10.375   0.253
  131    H    GLY  39           H        GLY  39  -3.178 -11.885   3.887
  132    HA2  GLY  39           2HA      GLY  39  -3.349  -8.929   4.192
  133    HA3  GLY  39           3HA      GLY  39  -2.451 -10.074   5.203
  134    H    CYS  40           H        CYS  40  -2.120 -10.666   1.852
  135    HA   CYS  40           HA       CYS  40  -0.372 -10.730   0.455
  136    HG   CYS  40           HG       CYS  40  -2.184  -9.361  -0.714
  137    HB2  CYS  40           2HB      CYS  40  -0.023  -7.823   1.245
  138    HB3  CYS  40           3HB      CYS  40   0.307  -8.593  -0.313
  139    H    SER  41           H        SER  41   2.043  -9.235   0.331
  140    HA   SER  41           HA       SER  41   3.631  -9.558   2.743
  141    HG   SER  41           HG       SER  41   3.103 -11.828   2.461
  142    HB2  SER  41           2HB      SER  41   4.445 -11.068   0.213
  143    HB3  SER  41           3HB      SER  41   5.425 -10.856   1.685
  144    H    TRP  42           H        TRP  42   5.772  -8.298   2.448
  145    HA   TRP  42           HA       TRP  42   5.137  -5.958   1.049
  146    HD1  TRP  42           HD1      TRP  42   9.687  -4.919   1.956
  147    HE1  TRP  42           HE1      TRP  42   9.954  -2.675   0.741
  148    HE3  TRP  42           HE3      TRP  42   4.779  -4.048   0.626
  149    HZ2  TRP  42           HZ2      TRP  42   8.317  -0.901  -0.845
  150    HZ3  TRP  42           HZ3      TRP  42   4.211  -2.177  -0.838
  151    HH2  TRP  42           HH2      TRP  42   5.932  -0.633  -1.623
  152    HB2  TRP  42           2HB      TRP  42   6.696  -5.931   2.911
  153    HB3  TRP  42           3HB      TRP  42   7.884  -6.796   1.961
  154    H    GLN  43           H        GLN  43   7.322  -8.577  -0.006
  155    HA   GLN  43           HA       GLN  43   8.204  -7.352  -2.338
  156    HB2  GLN  43           2HB      GLN  43   8.459  -9.738  -3.238
  157    HB3  GLN  43           3HB      GLN  43   9.250  -9.422  -1.698
  158    HG2  GLN  43           2HG      GLN  43   7.740 -10.741  -0.466
  159    HG3  GLN  43           3HG      GLN  43   6.450 -10.577  -1.639
  160   HE21  GLN  43          2HE2      GLN  43   6.035 -12.342  -2.932
  161   HE22  GLN  43          1HE2      GLN  43   7.240 -13.587  -3.271
  162    H    ASP  44           H        ASP  44   5.195  -8.859  -1.821
  163    HA   ASP  44           HA       ASP  44   4.315  -9.121  -4.595
  164    HB2  ASP  44           2HB      ASP  44   3.412  -9.666  -1.774
  165    HB3  ASP  44           3HB      ASP  44   2.186  -9.321  -2.886
  166    H    LEU  45           H        LEU  45   3.710  -7.056  -1.784
  167    HA   LEU  45           HA       LEU  45   1.790  -5.410  -3.071
  168    HG   LEU  45           HG       LEU  45   1.422  -6.705  -0.471
  169    HB2  LEU  45           2HB      LEU  45   3.440  -5.376  -0.533
  170    HB3  LEU  45           3HB      LEU  45   2.556  -3.940  -0.968
  171   HD11  LEU  45          1HD1      LEU  45   0.374  -5.479   1.404
  172   HD12  LEU  45          2HD1      LEU  45   2.143  -5.293   1.438
  173   HD13  LEU  45          3HD1      LEU  45   1.155  -3.961   0.832
  174   HD21  LEU  45          3HD2      LEU  45  -0.843  -5.318  -0.593
  175   HD22  LEU  45          1HD2      LEU  45   0.115  -4.242  -1.646
  176   HD23  LEU  45          2HD2      LEU  45  -0.119  -5.930  -2.085
  177    H    LYS  46           H        LYS  46   5.270  -5.065  -2.614
  178    HA   LYS  46           HA       LYS  46   5.726  -2.427  -3.883
  179    HB2  LYS  46           2HB      LYS  46   7.474  -3.628  -2.614
  180    HB3  LYS  46           3HB      LYS  46   7.303  -5.006  -3.682
  181    HG2  LYS  46           2HG      LYS  46   7.905  -3.179  -5.603
  182    HG3  LYS  46           3HG      LYS  46   8.544  -2.300  -4.210
  183    HD2  LYS  46           2HD      LYS  46  10.366  -3.618  -5.046
  184    HD3  LYS  46           3HD      LYS  46   9.729  -4.393  -3.588
  185    HE2  LYS  46           2HE      LYS  46  10.194  -6.148  -5.188
  186    HE3  LYS  46           3HE      LYS  46   8.451  -6.013  -4.994
  187    HZ1  LYS  46           3HZ      LYS  46   8.549  -4.565  -7.071
  188    HZ2  LYS  46           1HZ      LYS  46  10.079  -5.100  -7.292
  189    HZ3  LYS  46           2HZ      LYS  46   8.809  -6.147  -7.299
  190    H    ASP  47           H        ASP  47   5.741  -5.775  -5.155
  191    HA   ASP  47           HA       ASP  47   5.989  -4.937  -7.800
  192    HB2  ASP  47           2HB      ASP  47   5.435  -7.422  -6.418
  193    HB3  ASP  47           3HB      ASP  47   4.245  -7.280  -7.653
  194    H    LEU  48           H        LEU  48   2.845  -5.669  -6.214
  195    HA   LEU  48           HA       LEU  48   1.357  -4.658  -8.377
  196    HG   LEU  48           HG       LEU  48  -0.972  -4.072  -8.057
  197    HB2  LEU  48           2HB      LEU  48   0.251  -5.943  -6.702
  198    HB3  LEU  48           3HB      LEU  48   0.516  -4.714  -5.468
  199   HD11  LEU  48          1HD1      LEU  48  -2.349  -4.942  -5.493
  200   HD12  LEU  48          2HD1      LEU  48  -3.095  -4.324  -6.965
  201   HD13  LEU  48          3HD1      LEU  48  -2.291  -5.859  -7.068
  202   HD21  LEU  48          3HD2      LEU  48  -0.529  -2.112  -6.837
  203   HD22  LEU  48          1HD2      LEU  48  -2.177  -2.483  -6.467
  204   HD23  LEU  48          2HD2      LEU  48  -0.928  -2.918  -5.278
  205    H    ALA  49           H        ALA  49   2.628  -2.781  -5.555
  206    HA   ALA  49           HA       ALA  49   1.485  -0.335  -6.317
  207    HB1  ALA  49           1HB      ALA  49   3.729   0.488  -5.144
  208    HB2  ALA  49           2HB      ALA  49   2.432  -0.369  -4.246
  209    HB3  ALA  49           3HB      ALA  49   3.910  -1.210  -4.771
  210    H    ARG  50           H        ARG  50   4.447  -1.864  -7.605
  211    HA   ARG  50           HA       ARG  50   5.136   0.365  -9.331
  212    HE   ARG  50           HE       ARG  50   9.230  -0.308  -7.313
  213    HB2  ARG  50           2HB      ARG  50   5.989  -2.406 -10.033
  214    HB3  ARG  50           3HB      ARG  50   6.827  -0.869 -10.232
  215    HG2  ARG  50           2HG      ARG  50   6.520  -2.600  -7.823
  216    HG3  ARG  50           3HG      ARG  50   7.954  -2.079  -8.480
  217    HD2  ARG  50           2HD      ARG  50   6.243   0.013  -7.208
  218    HD3  ARG  50           3HD      ARG  50   7.201  -1.080  -6.248
  219   HH11  ARG  50          2HH2      ARG  50   6.569   2.030  -7.848
  220   HH12  ARG  50          1HH2      ARG  50   7.752   3.158  -8.496
  221   HH21  ARG  50          2HH1      ARG  50  10.502   1.351  -8.096
  222   HH22  ARG  50          1HH1      ARG  50   9.711   2.864  -8.532
  223    H    GLU  51           H        GLU  51   3.037  -2.430  -9.664
  224    HA   GLU  51           HA       GLU  51   2.227  -2.110 -12.424
  225    HB2  GLU  51           2HB      GLU  51   0.496  -3.183 -10.165
  226    HB3  GLU  51           3HB      GLU  51   0.152  -3.273 -11.794
  227    HG2  GLU  51           2HG      GLU  51   2.684  -4.376 -10.532
  228    HG3  GLU  51           3HG      GLU  51   1.300  -5.334 -10.520
  229    H    ASN  52           H        ASN  52   1.290  -0.577  -9.505
  230    HA   ASN  52           HA       ASN  52  -1.073   0.766 -10.689
  231    HB2  ASN  52           2HB      ASN  52  -0.142  -0.309  -8.044
  232    HB3  ASN  52           3HB      ASN  52  -1.172   1.008  -7.992
  233   HD21  ASN  52          2HD2      ASN  52  -0.902  -2.216  -9.341
  234   HD22  ASN  52          1HD2      ASN  52  -2.628  -2.544  -9.241
  235    H    SER  53           H        SER  53   2.082   1.613 -10.024
  236    HA   SER  53           HA       SER  53   3.202   3.468 -10.402
  237    HG   SER  53           HG       SER  53  -0.119   4.423 -10.434
  238    HB2  SER  53           2HB      SER  53   2.317   5.591 -11.093
  239    HB3  SER  53           3HB      SER  53   1.753   4.243 -12.087
  240    H    LEU  54           H        LEU  54   2.247   2.508  -7.816
  241    HA   LEU  54           HA       LEU  54   2.728   4.889  -6.075
  242    HG   LEU  54           HG       LEU  54   0.266   2.801  -5.165
  243    HB2  LEU  54           2HB      LEU  54   2.358   1.968  -5.585
  244    HB3  LEU  54           3HB      LEU  54   3.154   2.875  -4.364
  245   HD11  LEU  54          1HD1      LEU  54   1.597   3.020  -2.407
  246   HD12  LEU  54          2HD1      LEU  54  -0.070   2.557  -2.771
  247   HD13  LEU  54          3HD1      LEU  54   1.256   1.491  -3.210
  248   HD21  LEU  54          3HD2      LEU  54   0.720   5.184  -5.359
  249   HD22  LEU  54          1HD2      LEU  54  -0.217   4.857  -3.923
  250   HD23  LEU  54          2HD2      LEU  54   1.519   5.187  -3.759
  251    H    GLU  55           H        GLU  55   4.515   5.048  -4.996
  252    HA   GLU  55           HA       GLU  55   6.985   3.611  -5.580
  253    HB2  GLU  55           2HB      GLU  55   6.695   5.123  -7.519
  254    HB3  GLU  55           3HB      GLU  55   6.738   6.528  -6.446
  255    HG2  GLU  55           2HG      GLU  55   8.969   6.244  -5.917
  256    HG3  GLU  55           3HG      GLU  55   8.949   4.504  -6.145
  257    H    THR  56           H        THR  56   5.864   3.497  -3.394
  258    HA   THR  56           HA       THR  56   6.246   5.533  -1.410
  259    HB   THR  56           HB       THR  56   5.653   3.653   0.120
  260    HG1  THR  56           1HG      THR  56   5.333   1.637  -0.797
  261   HG21  THR  56          1HG2      THR  56   3.854   4.109  -2.258
  262   HG22  THR  56          2HG2      THR  56   3.407   3.045  -0.920
  263   HG23  THR  56          3HG2      THR  56   3.745   4.737  -0.595
  264    H    THR  57           H        THR  57   7.517   4.898   0.699
  265    HA   THR  57           HA       THR  57  10.320   4.342   0.002
  266    HB   THR  57           HB       THR  57   9.176   4.534   2.812
  267    HG1  THR  57           1HG      THR  57   9.981   6.692   1.148
  268   HG21  THR  57          1HG2      THR  57  11.376   5.578   3.291
  269   HG22  THR  57          2HG2      THR  57  11.532   3.923   2.682
  270   HG23  THR  57          3HG2      THR  57  11.870   5.296   1.601
  271    H    PHE  58           H        PHE  58   7.696   2.835   1.920
  272    HA   PHE  58           HA       PHE  58   8.814   0.162   1.752
  273    HD1  PHE  58           HD1      PHE  58   8.232   3.016   5.070
  274    HD2  PHE  58           HD2      PHE  58   9.413  -1.121   5.369
  275    HE1  PHE  58           HE1      PHE  58   7.395   2.932   7.409
  276    HE2  PHE  58           HE2      PHE  58   8.571  -1.200   7.704
  277    HZ   PHE  58           HZ       PHE  58   7.566   0.830   8.725
  278    HB2  PHE  58           2HB      PHE  58  10.061   0.168   3.523
  279    HB3  PHE  58           3HB      PHE  58  10.052   1.889   3.584
  280    H    SER  59           H        SER  59   7.742  -1.344   3.322
  281    HA   SER  59           HA       SER  59   5.225  -0.380   4.465
  282    HG   SER  59           HG       SER  59   3.325  -1.811   4.387
  283    HB2  SER  59           2HB      SER  59   4.445  -1.292   2.412
  284    HB3  SER  59           3HB      SER  59   5.346  -2.760   2.644
  285    H    SER  60           H        SER  60   4.579  -1.474   6.205
  286    HA   SER  60           HA       SER  60   6.188  -3.672   7.452
  287    HG   SER  60           HG       SER  60   6.231  -1.111   8.411
  288    HB2  SER  60           2HB      SER  60   4.002  -1.805   8.431
  289    HB3  SER  60           3HB      SER  60   4.563  -3.216   9.361
  290    H    VAL  61           H        VAL  61   5.567  -5.580   6.596
  291    HA   VAL  61           HA       VAL  61   2.672  -6.319   6.469
  292    HB   VAL  61           HB       VAL  61   4.626  -7.487   4.497
  293   HG11  VAL  61          1HG1      VAL  61   2.472  -7.592   3.136
  294   HG12  VAL  61          2HG1      VAL  61   2.420  -8.565   4.598
  295   HG13  VAL  61          3HG1      VAL  61   1.609  -6.991   4.530
  296   HG21  VAL  61          3HG2      VAL  61   4.852  -5.095   4.046
  297   HG22  VAL  61          1HG2      VAL  61   3.831  -5.814   2.808
  298   HG23  VAL  61          2HG2      VAL  61   3.095  -4.907   4.130
  299    H    ASN  62           H        ASN  62   2.361  -8.666   6.567
  300    HA   ASN  62           HA       ASN  62   2.555 -10.743   7.377
  301    HB2  ASN  62           2HB      ASN  62   5.555 -10.278   7.234
  302    HB3  ASN  62           3HB      ASN  62   4.740 -11.838   7.287
  303   HD21  ASN  62          2HD2      ASN  62   6.435 -10.123   5.169
  304   HD22  ASN  62          1HD2      ASN  62   5.457 -10.346   3.742
  305    H    THR  63           H        THR  63   3.973  -8.304   9.403
  306    HA   THR  63           HA       THR  63   3.585 -10.043  11.815
  307    HB   THR  63           HB       THR  63   5.643  -9.178  12.753
  308    HG1  THR  63           1HG      THR  63   5.917  -7.212  11.885
  309   HG21  THR  63          1HG2      THR  63   7.281 -10.270  11.406
  310   HG22  THR  63          2HG2      THR  63   5.776 -11.193  11.250
  311   HG23  THR  63          3HG2      THR  63   6.300 -10.108   9.938
  312    H    ARG  64           H        ARG  64   1.874  -7.872  10.663
  313    HA   ARG  64           HA       ARG  64   1.835  -5.941  12.967
  314    HE   ARG  64           HE       ARG  64  -2.077  -4.024  10.504
  315    HB2  ARG  64           2HB      ARG  64   2.940  -4.849  11.259
  316    HB3  ARG  64           3HB      ARG  64   1.946  -5.506   9.981
  317    HG2  ARG  64           2HG      ARG  64   0.725  -3.549  11.964
  318    HG3  ARG  64           3HG      ARG  64   1.777  -2.982  10.676
  319    HD2  ARG  64           2HD      ARG  64   0.285  -3.332   9.028
  320    HD3  ARG  64           3HD      ARG  64  -0.169  -4.895   9.635
  321   HH11  ARG  64          2HH1      ARG  64   0.057  -1.239  10.321
  322   HH12  ARG  64          1HH1      ARG  64  -1.290  -0.144  10.599
  323   HH21  ARG  64          2HH2      ARG  64  -3.613  -2.665  10.769
  324   HH22  ARG  64          1HH2      ARG  64  -3.337  -0.906  10.695
  325    H    ASP  65           H        ASP  65  -0.175  -8.162  11.279
  326    HA   ASP  65           HA       ASP  65  -2.576  -7.095  12.622
  327    HB2  ASP  65           2HB      ASP  65  -1.930  -6.020  10.175
  328    HB3  ASP  65           3HB      ASP  65  -2.889  -7.387   9.690
  329    H    PHE  66           H        PHE  66  -4.539  -8.333  11.168
  330    HA   PHE  66           HA       PHE  66  -4.923 -10.811  12.220
  331    HD1  PHE  66           HD1      PHE  66  -4.575  -8.780   8.787
  332    HD2  PHE  66           HD2      PHE  66  -7.917 -11.484   8.977
  333    HE1  PHE  66           HE1      PHE  66  -4.538  -8.986   6.324
  334    HE2  PHE  66           HE2      PHE  66  -7.973 -11.580   6.498
  335    HZ   PHE  66           HZ       PHE  66  -6.287 -10.338   5.164
  336    HB2  PHE  66           2HB      PHE  66  -6.854 -10.857  10.976
  337    HB3  PHE  66           3HB      PHE  66  -6.484  -9.144  10.941
  338    H    ASP  67           H        ASP  67  -2.877 -10.331   9.554
  339    HA   ASP  67           HA       ASP  67  -2.135 -13.088   9.119
  340    HB2  ASP  67           2HB      ASP  67  -4.261 -12.991   7.767
  341    HB3  ASP  67           3HB      ASP  67  -3.598 -11.628   6.872
  342    H    GLY  68           H        GLY  68  -2.233  -9.738   7.939
  343    HA2  GLY  68           2HA      GLY  68   0.466  -9.219   8.495
  344    HA3  GLY  68           3HA      GLY  68   0.343  -9.544   6.748
  345    H    THR  69           H        THR  69  -1.497  -8.383   5.715
  346    HA   THR  69           HA       THR  69  -2.400  -6.560   4.806
  347    HB   THR  69           HB       THR  69  -3.344  -4.780   5.878
  348    HG1  THR  69           1HG      THR  69  -1.534  -5.401   7.948
  349   HG21  THR  69          1HG2      THR  69  -4.547  -5.695   7.854
  350   HG22  THR  69          2HG2      THR  69  -4.578  -6.735   6.422
  351   HG23  THR  69          3HG2      THR  69  -3.517  -7.138   7.741
  352    H    GLY  70           H        GLY  70  -1.653  -4.917   3.632
  353    HA2  GLY  70           2HA      GLY  70   1.183  -4.303   3.599
  354    HA3  GLY  70           3HA      GLY  70  -0.101  -3.686   2.537
  355    H    ALA  71           H        ALA  71   1.466  -3.078   5.737
  356    HA   ALA  71           HA       ALA  71   0.078  -0.502   5.632
  357    HB1  ALA  71           1HB      ALA  71   1.828  -1.626   7.820
  358    HB2  ALA  71           2HB      ALA  71   0.931  -0.086   7.880
  359    HB3  ALA  71           3HB      ALA  71   0.047  -1.601   7.743
  360    H    LEU  72           H        LEU  72   0.854   0.844   4.157
  361    HA   LEU  72           HA       LEU  72   3.742   0.858   3.310
  362    HG   LEU  72           HG       LEU  72   1.929   0.888   0.098
  363    HB2  LEU  72           2HB      LEU  72   1.197   1.679   2.165
  364    HB3  LEU  72           3HB      LEU  72   2.544   2.551   1.673
  365   HD11  LEU  72          1HD1      LEU  72   4.307   1.638   0.623
  366   HD12  LEU  72          2HD1      LEU  72   4.612  -0.005   1.044
  367   HD13  LEU  72          3HD1      LEU  72   3.980   0.336  -0.562
  368   HD21  LEU  72          3HD2      LEU  72   2.338  -1.194   2.208
  369   HD22  LEU  72          1HD2      LEU  72   0.886  -0.801   1.314
  370   HD23  LEU  72          2HD2      LEU  72   2.261  -1.533   0.464
  371    H    GLU  73           H        GLU  73   4.855   2.789   3.248
  372    HA   GLU  73           HA       GLU  73   3.622   5.303   4.515
  373    HB2  GLU  73           2HB      GLU  73   4.569   4.205   6.271
  374    HB3  GLU  73           3HB      GLU  73   6.054   3.790   5.428
  375    HG2  GLU  73           2HG      GLU  73   7.010   5.865   5.746
  376    HG3  GLU  73           3HG      GLU  73   5.471   6.708   5.798
  377    H    PHE  74           H        PHE  74   4.602   7.309   3.995
  378    HA   PHE  74           HA       PHE  74   7.048   7.440   2.426
  379    HD1  PHE  74           HD1      PHE  74   7.132   6.639   0.173
  380    HD2  PHE  74           HD2      PHE  74   6.191  10.794   0.063
  381    HE1  PHE  74           HE1      PHE  74   8.971   6.991  -1.486
  382    HE2  PHE  74           HE2      PHE  74   8.013  11.188  -1.554
  383    HZ   PHE  74           HZ       PHE  74   9.407   9.283  -2.345
  384    HB2  PHE  74           2HB      PHE  74   4.686   7.712   0.936
  385    HB3  PHE  74           3HB      PHE  74   4.970   9.344   1.431
  386    HA   PRO  75           HA       PRO  75   7.430  11.278   4.815
  387    HB2  PRO  75           2HB      PRO  75   9.239  12.711   3.276
  388    HB3  PRO  75           3HB      PRO  75   9.658  11.348   4.351
  389    HG2  PRO  75           2HG      PRO  75   9.121  11.245   1.369
  390    HG3  PRO  75           3HG      PRO  75  10.527  10.580   2.276
  391    HD2  PRO  75           2HD      PRO  75   8.501   8.976   1.646
  392    HD3  PRO  75           3HD      PRO  75   9.191   8.886   3.280
  393    H    SER  76           H        SER  76   5.596  11.112   2.014
  394    HA   SER  76           HA       SER  76   4.616  13.915   2.366
  395    HG   SER  76           HG       SER  76   6.212  14.589  -0.615
  396    HB2  SER  76           2HB      SER  76   5.000  12.521  -0.261
  397    HB3  SER  76           3HB      SER  76   4.227  14.084  -0.017
  398    H    GLU  77           H        GLU  77   2.453  13.922   2.675
  399    HA   GLU  77           HA       GLU  77   0.773  11.669   2.408
  400    HB2  GLU  77           2HB      GLU  77  -1.100  13.198   2.729
  401    HB3  GLU  77           3HB      GLU  77   0.222  13.459   3.850
  402    HG2  GLU  77           2HG      GLU  77   0.973  15.350   2.205
  403    HG3  GLU  77           3HG      GLU  77  -0.651  15.199   1.526
  404    H    GLU  78           H        GLU  78   1.973  13.634  -0.108
  405    HA   GLU  78           HA       GLU  78   0.086  13.455  -2.169
  406    HB2  GLU  78           2HB      GLU  78   3.089  12.888  -2.260
  407    HB3  GLU  78           3HB      GLU  78   2.085  13.248  -3.663
  408    HG2  GLU  78           2HG      GLU  78   1.663  15.514  -2.838
  409    HG3  GLU  78           3HG      GLU  78   2.517  15.177  -1.334
  410    H    ILE  79           H        ILE  79   2.381  10.944  -1.083
  411    HA   ILE  79           HA       ILE  79   1.518   8.978  -3.033
  412    HB   ILE  79           HB       ILE  79   3.313   8.703  -0.627
  413   HG12  ILE  79          2HG1      ILE  79   3.661  10.120  -3.131
  414   HG13  ILE  79          3HG1      ILE  79   4.577  10.187  -1.691
  415   HG21  ILE  79          1HG2      ILE  79   4.278   6.728  -1.697
  416   HG22  ILE  79          2HG2      ILE  79   2.550   6.498  -1.495
  417   HG23  ILE  79          3HG2      ILE  79   3.188   6.921  -3.094
  418   HD11  ILE  79          3HD1      ILE  79   5.874   8.145  -2.543
  419   HD12  ILE  79          1HD1      ILE  79   4.920   8.254  -4.033
  420   HD13  ILE  79          2HD1      ILE  79   5.993   9.581  -3.570
  421    H    LEU  80           H        LEU  80   0.755   9.677   0.308
  422    HA   LEU  80           HA       LEU  80  -0.701   7.356   1.007
  423    HG   LEU  80           HG       LEU  80  -2.980   9.982   2.093
  424    HB2  LEU  80           2HB      LEU  80  -0.234   8.771   2.751
  425    HB3  LEU  80           3HB      LEU  80  -0.567  10.204   1.906
  426   HD11  LEU  80          1HD1      LEU  80  -2.486   7.738   4.060
  427   HD12  LEU  80          2HD1      LEU  80  -4.042   8.437   3.567
  428   HD13  LEU  80          3HD1      LEU  80  -3.109   7.489   2.404
  429   HD21  LEU  80          3HD2      LEU  80  -1.547   9.748   4.750
  430   HD22  LEU  80          1HD2      LEU  80  -1.733  11.239   3.799
  431   HD23  LEU  80          2HD2      LEU  80  -3.161  10.429   4.474
  432    H    VAL  81           H        VAL  81  -1.749  10.470  -0.436
  433    HA   VAL  81           HA       VAL  81  -4.558   9.725  -0.620
  434    HB   VAL  81           HB       VAL  81  -2.941  12.006  -1.878
  435   HG11  VAL  81          1HG1      VAL  81  -5.120  13.167  -2.225
  436   HG12  VAL  81          2HG1      VAL  81  -4.971  11.718  -3.218
  437   HG13  VAL  81          3HG1      VAL  81  -5.970  11.682  -1.751
  438   HG21  VAL  81          3HG2      VAL  81  -3.917  13.434  -0.179
  439   HG22  VAL  81          1HG2      VAL  81  -4.876  12.076   0.466
  440   HG23  VAL  81          2HG2      VAL  81  -3.109  12.083   0.612
  441    H    GLU  82           H        GLU  82  -1.833   9.753  -2.838
  442    HA   GLU  82           HA       GLU  82  -3.020   8.950  -5.194
  443    HB2  GLU  82           2HB      GLU  82  -0.484   8.766  -3.663
  444    HB3  GLU  82           3HB      GLU  82  -0.676   7.506  -4.730
  445    HG2  GLU  82           2HG      GLU  82  -0.757  10.470  -5.329
  446    HG3  GLU  82           3HG      GLU  82   0.640   9.426  -5.601
  447    H    ALA  83           H        ALA  83  -1.565   6.656  -2.781
  448    HA   ALA  83           HA       ALA  83  -2.760   4.231  -3.750
  449    HB1  ALA  83           1HB      ALA  83  -0.977   4.515  -1.909
  450    HB2  ALA  83           2HB      ALA  83  -2.279   4.986  -0.821
  451    HB3  ALA  83           3HB      ALA  83  -2.273   3.359  -1.540
  452    H    LEU  84           H        LEU  84  -4.198   6.527  -1.415
  453    HA   LEU  84           HA       LEU  84  -6.571   4.945  -0.834
  454    HG   LEU  84           HG       LEU  84  -4.947   7.655   1.105
  455    HB2  LEU  84           2HB      LEU  84  -6.217   7.964  -0.649
  456    HB3  LEU  84           3HB      LEU  84  -7.558   7.083  -0.052
  457   HD11  LEU  84          1HD1      LEU  84  -7.078   8.399   2.003
  458   HD12  LEU  84          2HD1      LEU  84  -7.560   6.711   2.300
  459   HD13  LEU  84          3HD1      LEU  84  -6.181   7.425   3.180
  460   HD21  LEU  84          3HD2      LEU  84  -4.425   5.342   0.779
  461   HD22  LEU  84          1HD2      LEU  84  -4.870   5.576   2.474
  462   HD23  LEU  84          2HD2      LEU  84  -6.042   4.848   1.299
  463    H    GLU  85           H        GLU  85  -5.709   7.036  -3.507
  464    HA   GLU  85           HA       GLU  85  -8.365   6.493  -4.635
  465    HB2  GLU  85           2HB      GLU  85  -6.317   8.655  -5.241
  466    HB3  GLU  85           3HB      GLU  85  -7.758   8.394  -6.229
  467    HG2  GLU  85           2HG      GLU  85  -9.189   8.724  -4.185
  468    HG3  GLU  85           3HG      GLU  85  -7.740   9.164  -3.281
  469    H    ARG  86           H        ARG  86  -5.388   5.060  -4.846
  470    HA   ARG  86           HA       ARG  86  -5.599   4.429  -7.764
  471    HE   ARG  86           HE       ARG  86  -2.473   8.309  -8.576
  472    HB2  ARG  86           2HB      ARG  86  -3.372   5.117  -5.934
  473    HB3  ARG  86           3HB      ARG  86  -3.104   3.645  -6.596
  474    HG2  ARG  86           2HG      ARG  86  -2.046   5.249  -7.977
  475    HG3  ARG  86           3HG      ARG  86  -3.413   4.608  -8.911
  476    HD2  ARG  86           2HD      ARG  86  -4.728   6.615  -8.544
  477    HD3  ARG  86           3HD      ARG  86  -3.698   7.101  -7.192
  478   HH11  ARG  86          1HH2      ARG  86  -3.500   5.816 -10.817
  479   HH12  ARG  86          2HH2      ARG  86  -1.985   5.907 -11.691
  480   HH21  ARG  86          2HH1      ARG  86  -0.592   8.128  -9.508
  481   HH22  ARG  86          1HH1      ARG  86  -0.366   7.108 -10.893
  482    H    LEU  87           H        LEU  87  -5.279   3.006  -4.494
  483    HA   LEU  87           HA       LEU  87  -5.773   0.377  -5.647
  484    HG   LEU  87           HG       LEU  87  -3.544  -0.334  -5.722
  485    HB2  LEU  87           2HB      LEU  87  -4.039   1.248  -3.299
  486    HB3  LEU  87           3HB      LEU  87  -4.633  -0.322  -3.500
  487   HD11  LEU  87          1HD1      LEU  87  -1.488   1.200  -5.830
  488   HD12  LEU  87          2HD1      LEU  87  -3.076   1.532  -6.527
  489   HD13  LEU  87          3HD1      LEU  87  -2.581   2.287  -4.947
  490   HD21  LEU  87          3HD2      LEU  87  -1.754   0.117  -3.298
  491   HD22  LEU  87          1HD2      LEU  87  -2.507  -1.440  -3.734
  492   HD23  LEU  87          2HD2      LEU  87  -1.250  -0.730  -4.768
  493    H    ASN  88           H        ASN  88  -7.643   2.617  -4.143
  494    HA   ASN  88           HA       ASN  88  -8.706   1.056  -1.964
  495    HB2  ASN  88           2HB      ASN  88  -8.888   3.460  -2.012
  496    HB3  ASN  88           3HB      ASN  88  -9.952   3.385  -3.424
  497   HD21  ASN  88          2HD2      ASN  88  -9.636   2.455   0.029
  498   HD22  ASN  88          1HD2      ASN  88 -11.359   2.381   0.302
  499    H    ASN  89           H        ASN  89  -9.094  -0.939  -2.482
  500    HA   ASN  89           HA       ASN  89 -10.410  -2.712  -2.766
  501    HB2  ASN  89           2HB      ASN  89 -12.140  -1.322  -1.828
  502    HB3  ASN  89           3HB      ASN  89 -12.654  -0.808  -3.417
  503   HD21  ASN  89          1HD2      ASN  89 -12.162  -3.630  -1.261
  504   HD22  ASN  89          2HD2      ASN  89 -13.415  -4.622  -2.012
  505    H    ILE  90           H        ILE  90  -8.654  -2.783  -4.297
  506    HA   ILE  90           HA       ILE  90  -9.454  -3.017  -7.182
  507    HB   ILE  90           HB       ILE  90  -7.022  -2.590  -7.665
  508   HG12  ILE  90          2HG1      ILE  90  -6.180  -1.491  -5.191
  509   HG13  ILE  90          3HG1      ILE  90  -6.694  -3.087  -4.853
  510   HG21  ILE  90          1HG2      ILE  90  -8.288  -0.386  -5.998
  511   HG22  ILE  90          2HG2      ILE  90  -7.084  -0.228  -7.301
  512   HG23  ILE  90          3HG2      ILE  90  -8.720  -0.770  -7.674
  513   HD11  ILE  90          3HD1      ILE  90  -4.716  -2.243  -6.998
  514   HD12  ILE  90          1HD1      ILE  90  -4.338  -2.990  -5.433
  515   HD13  ILE  90          2HD1      ILE  90  -5.238  -3.921  -6.663
  516    H    GLU  91           H        GLU  91  -9.030  -4.759  -8.336
  517    HA   GLU  91           HA       GLU  91  -8.415  -7.215  -6.944
  518    HB2  GLU  91           2HB      GLU  91 -10.020  -7.058  -8.746
  519    HB3  GLU  91           3HB      GLU  91  -8.713  -6.610  -9.825
  520    HG2  GLU  91           2HG      GLU  91  -8.244  -9.140  -8.362
  521    HG3  GLU  91           3HG      GLU  91  -9.674  -9.169  -9.308
  522    H    PHE  92           H        PHE  92  -6.664  -7.972  -6.498
  523    HA   PHE  92           HA       PHE  92  -4.078  -7.160  -7.707
  524    HD1  PHE  92           HD1      PHE  92  -2.007  -8.126  -7.349
  525    HD2  PHE  92           HD2      PHE  92  -3.025  -7.769  -3.164
  526    HE1  PHE  92           HE1      PHE  92   0.325  -8.537  -6.763
  527    HE2  PHE  92           HE2      PHE  92  -0.643  -8.178  -2.591
  528    HZ   PHE  92           HZ       PHE  92   1.027  -8.518  -4.415
  529    HB2  PHE  92           2HB      PHE  92  -4.599  -6.784  -5.271
  530    HB3  PHE  92           3HB      PHE  92  -4.730  -8.405  -5.004
  531    H    ARG  93           H        ARG  93  -3.803  -8.762  -9.353
  532    HA   ARG  93           HA       ARG  93  -3.443 -10.746 -10.345
  533    HE   ARG  93           HE       ARG  93   0.857 -11.795  -5.272
  534    HB2  ARG  93           2HB      ARG  93  -1.698 -12.103  -9.395
  535    HB3  ARG  93           3HB      ARG  93  -1.381 -10.394  -9.061
  536    HG2  ARG  93           2HG      ARG  93  -2.078 -10.654  -6.776
  537    HG3  ARG  93           3HG      ARG  93  -2.552 -12.341  -7.053
  538    HD2  ARG  93           2HD      ARG  93  -0.277 -13.013  -7.296
  539    HD3  ARG  93           3HD      ARG  93   0.270 -11.347  -7.486
  540   HH11  ARG  93          1HH1      ARG  93  -2.707 -12.010  -5.299
  541   HH12  ARG  93          2HH1      ARG  93  -2.679 -12.111  -3.547
  542   HH21  ARG  93          1HH2      ARG  93   0.662 -11.725  -3.241
  543   HH22  ARG  93          2HH2      ARG  93  -0.940 -11.664  -2.456
  544    H    GLY  94           H        GLY  94  -5.994 -10.726  -8.881
  545    HA2  GLY  94           2HA      GLY  94  -7.671 -12.453  -9.089
  546    HA3  GLY  94           3HA      GLY  94  -6.506 -13.669  -8.599
  547    H    SER  95           H        SER  95  -6.013 -11.077  -6.398
  548    HA   SER  95           HA       SER  95  -8.077 -11.985  -4.470
  549    HG   SER  95           HG       SER  95  -4.962 -12.706  -2.971
  550    HB2  SER  95           2HB      SER  95  -5.242 -10.829  -4.209
  551    HB3  SER  95           3HB      SER  95  -6.417 -10.881  -2.865
  552    H    VAL  96           H        VAL  96  -8.188  -9.655  -3.080
  553    HA   VAL  96           HA       VAL  96  -7.859  -7.383  -4.881
  554    HB   VAL  96           HB       VAL  96  -9.840  -6.880  -5.472
  555   HG11  VAL  96          1HG1      VAL  96 -10.384  -9.145  -5.618
  556   HG12  VAL  96          2HG1      VAL  96 -10.948  -9.182  -3.920
  557   HG13  VAL  96          3HG1      VAL  96 -11.810  -8.219  -5.156
  558   HG21  VAL  96          3HG2      VAL  96 -10.880  -6.754  -2.662
  559   HG22  VAL  96          1HG2      VAL  96 -10.108  -5.436  -3.583
  560   HG23  VAL  96          2HG2      VAL  96 -11.631  -6.115  -4.140
  561    H    ILE  97           H        ILE  97  -7.558  -5.445  -3.604
  562    HA   ILE  97           HA       ILE  97  -7.516  -5.754  -0.630
  563    HB   ILE  97           HB       ILE  97  -5.554  -4.150  -0.677
  564   HG12  ILE  97          2HG1      ILE  97  -5.137  -5.357  -3.444
  565   HG13  ILE  97          3HG1      ILE  97  -5.575  -3.672  -3.102
  566   HG21  ILE  97          1HG2      ILE  97  -4.911  -6.985  -1.533
  567   HG22  ILE  97          2HG2      ILE  97  -3.972  -5.877  -0.470
  568   HG23  ILE  97          3HG2      ILE  97  -5.506  -6.540   0.074
  569   HD11  ILE  97          3HD1      ILE  97  -2.956  -4.995  -2.314
  570   HD12  ILE  97          1HD1      ILE  97  -3.210  -3.787  -3.580
  571   HD13  ILE  97          2HD1      ILE  97  -3.473  -3.340  -1.887
  572    H    THR  98           H        THR  98  -8.141  -4.095   0.529
  573    HA   THR  98           HA       THR  98  -9.198  -1.616  -0.766
  574    HB   THR  98           HB       THR  98  -9.825  -2.802   1.928
  575    HG1  THR  98           1HG      THR  98 -11.705  -3.546   1.040
  576   HG21  THR  98          1HG2      THR  98 -11.813  -1.331   1.862
  577   HG22  THR  98          2HG2      THR  98 -10.296  -0.431   1.909
  578   HG23  THR  98          3HG2      THR  98 -11.189  -0.580   0.376
  579    H    VAL  99           H        VAL  99  -8.512   0.373   0.211
  580    HA   VAL  99           HA       VAL  99  -6.215   0.132   2.075
  581    HB   VAL  99           HB       VAL  99  -4.699   1.322   0.769
  582   HG11  VAL  99          1HG1      VAL  99  -4.348  -0.141  -1.110
  583   HG12  VAL  99          2HG1      VAL  99  -5.017  -1.087   0.227
  584   HG13  VAL  99          3HG1      VAL  99  -6.047  -0.634  -1.128
  585   HG21  VAL  99          3HG2      VAL  99  -5.944   2.992  -0.283
  586   HG22  VAL  99          1HG2      VAL  99  -5.333   1.985  -1.597
  587   HG23  VAL  99          2HG2      VAL  99  -7.019   1.816  -1.060
  588    H    GLU 100           H        GLU 100  -5.677   1.811   3.241
  589    HA   GLU 100           HA       GLU 100  -7.072   4.425   3.187
  590    HB2  GLU 100           2HB      GLU 100  -8.226   3.989   5.352
  591    HB3  GLU 100           3HB      GLU 100  -8.909   2.998   4.076
  592    HG2  GLU 100           2HG      GLU 100  -6.895   2.015   6.160
  593    HG3  GLU 100           3HG      GLU 100  -8.627   1.990   6.392
  594    H    ARG 101           H        ARG 101  -6.525   5.802   4.856
  595    HA   ARG 101           HA       ARG 101  -3.880   5.745   5.945
  596    HE   ARG 101           HE       ARG 101  -6.242   9.879   7.858
  597    HB2  ARG 101           2HB      ARG 101  -4.635   7.702   7.129
  598    HB3  ARG 101           3HB      ARG 101  -5.175   7.756   5.465
  599    HG2  ARG 101           2HG      ARG 101  -7.406   6.671   6.505
  600    HG3  ARG 101           3HG      ARG 101  -6.797   7.396   7.990
  601    HD2  ARG 101           2HD      ARG 101  -6.956   9.090   5.473
  602    HD3  ARG 101           3HD      ARG 101  -8.448   8.633   6.283
  603   HH11  ARG 101          1HH1      ARG 101  -9.455  10.403   6.521
  604   HH12  ARG 101          2HH1      ARG 101  -9.793  11.686   7.655
  605   HH21  ARG 101          2HH2      ARG 101  -6.792  11.324   9.330
  606   HH22  ARG 101          1HH2      ARG 101  -8.285  12.246   9.199
  607    H    ASP 102           H        ASP 102  -3.082   5.134   7.873
  608    HA   ASP 102           HA       ASP 102  -4.816   3.511   9.701
  609    HB2  ASP 102           2HB      ASP 102  -3.238   2.335   8.153
  610    HB3  ASP 102           3HB      ASP 102  -1.899   3.121   8.972
  611    H    ASP 103           H        ASP 103  -2.295   6.000   9.663
  612    HA   ASP 103           HA       ASP 103  -2.545   6.231  12.636
  613    HB2  ASP 103           2HB      ASP 103  -0.238   6.546  12.887
  614    HB3  ASP 103           3HB      ASP 103  -0.410   5.120  11.870
  615    H    ASN 104           H        ASN 104  -3.213   7.840   9.834
  616    HA   ASN 104           HA       ASN 104  -3.116  10.532  11.064
  617    HB2  ASN 104           2HB      ASN 104  -0.960  10.314   9.902
  618    HB3  ASN 104           3HB      ASN 104  -1.758   9.718   8.456
  619   HD21  ASN 104          1HD2      ASN 104  -3.331  11.237   7.441
  620   HD22  ASN 104          2HD2      ASN 104  -2.882  12.943   7.388
  Start of MODEL   19
    1    HA   PRO  25           HA       PRO  25  10.541  16.149   6.198
    2    HB2  PRO  25           2HB      PRO  25   9.440  15.164   3.521
    3    HB3  PRO  25           3HB      PRO  25  10.745  16.376   3.793
    4    HG2  PRO  25           2HG      PRO  25  11.337  13.738   3.467
    5    HG3  PRO  25           3HG      PRO  25  12.209  14.723   4.675
    6    HD2  PRO  25           2HD      PRO  25  10.228  12.567   5.150
    7    HD3  PRO  25           3HD      PRO  25  11.423  13.272   6.260
    8    H    ALA  26           H        ALA  26   8.367  16.958   3.786
    9    HA   ALA  26           HA       ALA  26   6.635  18.657   5.247
   10    HB1  ALA  26           1HB      ALA  26   7.036  18.776   2.813
   11    HB2  ALA  26           2HB      ALA  26   6.265  17.190   2.590
   12    HB3  ALA  26           3HB      ALA  26   5.300  18.579   3.143
   13    H    LYS  27           H        LYS  27   6.346  15.282   4.343
   14    HA   LYS  27           HA       LYS  27   4.540  14.701   6.597
   15    HB2  LYS  27           2HB      LYS  27   3.821  14.461   3.729
   16    HB3  LYS  27           3HB      LYS  27   3.804  12.895   4.478
   17    HG2  LYS  27           2HG      LYS  27   2.215  15.301   5.424
   18    HG3  LYS  27           3HG      LYS  27   1.644  13.894   4.525
   19    HD2  LYS  27           2HD      LYS  27   2.509  12.501   6.582
   20    HD3  LYS  27           3HD      LYS  27   2.464  14.068   7.422
   21    HE2  LYS  27           2HE      LYS  27   0.069  14.285   6.482
   22    HE3  LYS  27           3HE      LYS  27   0.190  12.576   6.039
   23    HZ1  LYS  27           3HZ      LYS  27   0.417  12.016   8.394
   24    HZ2  LYS  27           1HZ      LYS  27   0.580  13.593   8.815
   25    HZ3  LYS  27           2HZ      LYS  27  -0.848  13.055   8.261
   26    H    ARG  28           H        ARG  28   4.569  12.349   6.970
   27    HA   ARG  28           HA       ARG  28   6.288  10.540   5.582
   28    HE   ARG  28           HE       ARG  28   8.532   8.715   8.897
   29    HB2  ARG  28           2HB      ARG  28   7.717   9.807   7.309
   30    HB3  ARG  28           3HB      ARG  28   8.129  11.402   6.758
   31    HG2  ARG  28           2HG      ARG  28   7.474  12.473   8.744
   32    HG3  ARG  28           3HG      ARG  28   6.457  11.131   9.287
   33    HD2  ARG  28           2HD      ARG  28   9.459  10.961   8.900
   34    HD3  ARG  28           3HD      ARG  28   8.693  11.293  10.459
   35   HH11  ARG  28          1HH1      ARG  28   7.756  10.274  11.954
   36   HH12  ARG  28          2HH1      ARG  28   7.029   8.819  12.580
   37   HH21  ARG  28          2HH2      ARG  28   7.506   7.013   9.676
   38   HH22  ARG  28          1HH2      ARG  28   6.942   6.991  11.331
   39    H    TYR  29           H        TYR  29   3.877  10.409   5.508
   40    HA   TYR  29           HA       TYR  29   2.268   9.735   7.729
   41    HD1  TYR  29           HD1      TYR  29   1.037   7.017   4.998
   42    HD2  TYR  29           HD2      TYR  29   2.382  10.808   3.365
   43    HE1  TYR  29           HE1      TYR  29   1.503   5.914   2.863
   44    HE2  TYR  29           HE2      TYR  29   2.652   9.736   1.225
   45    HH   TYR  29           HH       TYR  29   2.041   6.185   0.720
   46    HB2  TYR  29           2HB      TYR  29   0.537   9.270   6.077
   47    HB3  TYR  29           3HB      TYR  29   1.402  10.689   5.592
   48    H    ARG  30           H        ARG  30   0.788   7.705   7.632
   49    HA   ARG  30           HA       ARG  30   2.166   5.301   6.653
   50    HE   ARG  30           HE       ARG  30   4.409   4.318   8.279
   51    HB2  ARG  30           2HB      ARG  30   2.927   5.508   8.989
   52    HB3  ARG  30           3HB      ARG  30   1.265   5.586   9.492
   53    HG2  ARG  30           2HG      ARG  30   2.117   3.397   9.977
   54    HG3  ARG  30           3HG      ARG  30   0.869   3.264   8.741
   55    HD2  ARG  30           2HD      ARG  30   2.788   1.810   8.315
   56    HD3  ARG  30           3HD      ARG  30   2.554   2.964   7.011
   57   HH11  ARG  30          2HH2      ARG  30   4.496   0.878   7.760
   58   HH12  ARG  30          1HH2      ARG  30   6.056   0.673   8.499
   59   HH21  ARG  30          2HH1      ARG  30   6.535   4.122   8.735
   60   HH22  ARG  30          1HH1      ARG  30   7.247   2.529   8.881
   61    H    ILE  31           H        ILE  31   0.786   4.214   5.474
   62    HA   ILE  31           HA       ILE  31  -2.136   4.271   6.147
   63    HB   ILE  31           HB       ILE  31  -2.620   3.530   3.864
   64   HG12  ILE  31          2HG1      ILE  31   0.274   4.061   3.183
   65   HG13  ILE  31          3HG1      ILE  31  -0.413   2.440   3.384
   66   HG21  ILE  31          1HG2      ILE  31  -1.007   6.099   3.885
   67   HG22  ILE  31          2HG2      ILE  31  -2.262   5.638   2.719
   68   HG23  ILE  31          3HG2      ILE  31  -2.698   5.894   4.398
   69   HD11  ILE  31          3HD1      ILE  31  -2.052   2.961   1.550
   70   HD12  ILE  31          1HD1      ILE  31  -1.131   4.454   1.232
   71   HD13  ILE  31          2HD1      ILE  31  -0.349   2.883   1.041
   72    H    THR  32           H        THR  32  -3.281   2.439   5.836
   73    HA   THR  32           HA       THR  32  -2.013  -0.287   6.283
   74    HB   THR  32           HB       THR  32  -4.701   0.924   6.846
   75    HG1  THR  32           1HG      THR  32  -4.015   0.867   8.909
   76   HG21  THR  32          1HG2      THR  32  -5.032  -1.428   6.213
   77   HG22  THR  32          2HG2      THR  32  -3.674  -1.937   7.251
   78   HG23  THR  32          3HG2      THR  32  -5.169  -1.298   7.976
   79    H    MET  33           H        MET  33  -2.202  -1.721   4.859
   80    HA   MET  33           HA       MET  33  -4.233  -1.477   2.801
   81    HB2  MET  33           2HB      MET  33  -1.352  -2.282   2.104
   82    HB3  MET  33           3HB      MET  33  -2.747  -2.217   1.017
   83    HG2  MET  33           2HG      MET  33  -2.871   0.285   1.842
   84    HG3  MET  33           3HG      MET  33  -1.244  -0.001   2.337
   85    HE1  MET  33           3HE      MET  33  -0.310  -1.008  -1.691
   86    HE2  MET  33           1HE      MET  33  -0.039  -1.639  -0.045
   87    HE3  MET  33           2HE      MET  33  -1.593  -1.930  -0.865
   88    H    LYS  34           H        LYS  34  -5.464  -3.078   2.990
   89    HA   LYS  34           HA       LYS  34  -4.633  -5.749   4.083
   90    HB2  LYS  34           2HB      LYS  34  -4.733  -3.971   5.838
   91    HB3  LYS  34           3HB      LYS  34  -6.186  -3.348   5.040
   92    HG2  LYS  34           2HG      LYS  34  -6.568  -5.900   6.293
   93    HG3  LYS  34           3HG      LYS  34  -6.254  -4.447   7.300
   94    HD2  LYS  34           2HD      LYS  34  -8.423  -4.489   5.132
   95    HD3  LYS  34           3HD      LYS  34  -8.753  -4.892   6.753
   96    HE2  LYS  34           2HE      LYS  34  -9.037  -2.645   7.148
   97    HE3  LYS  34           3HE      LYS  34  -7.284  -2.476   6.979
   98    HZ1  LYS  34           3HZ      LYS  34  -7.698  -2.196   4.524
   99    HZ2  LYS  34           1HZ      LYS  34  -9.311  -2.089   4.868
  100    HZ3  LYS  34           2HZ      LYS  34  -8.253  -0.986   5.447
  101    H    ASN  35           H        ASN  35  -6.399  -7.208   4.025
  102    HA   ASN  35           HA       ASN  35  -8.951  -6.446   4.236
  103    HB2  ASN  35           2HB      ASN  35  -9.336  -5.573   2.100
  104    HB3  ASN  35           3HB      ASN  35  -8.169  -6.641   1.370
  105   HD21  ASN  35          2HD2      ASN  35  -9.032  -8.076  -0.004
  106   HD22  ASN  35          1HD2      ASN  35 -10.716  -8.599   0.023
  107    H    LEU  36           H        LEU  36 -10.383  -8.455   4.394
  108    HA   LEU  36           HA       LEU  36  -9.030 -10.487   5.648
  109    HG   LEU  36           HG       LEU  36 -12.571 -10.388   6.821
  110    HB2  LEU  36           2HB      LEU  36 -11.837 -10.374   4.534
  111    HB3  LEU  36           3HB      LEU  36 -11.248 -11.782   5.393
  112   HD11  LEU  36          1HD1      LEU  36 -11.145 -10.186   8.744
  113   HD12  LEU  36          2HD1      LEU  36 -10.637 -11.614   7.822
  114   HD13  LEU  36          3HD1      LEU  36  -9.690 -10.109   7.740
  115   HD21  LEU  36          3HD2      LEU  36 -10.533  -8.145   6.584
  116   HD22  LEU  36          1HD2      LEU  36 -12.126  -8.167   5.770
  117   HD23  LEU  36          2HD2      LEU  36 -12.020  -8.170   7.540
  118    HA   PRO  37           HA       PRO  37  -9.201 -13.453   1.694
  119    HB2  PRO  37           2HB      PRO  37  -9.089 -11.110  -0.223
  120    HB3  PRO  37           3HB      PRO  37  -9.595 -12.799  -0.554
  121    HG2  PRO  37           2HG      PRO  37 -11.458 -10.907  -0.029
  122    HG3  PRO  37           3HG      PRO  37 -11.596 -12.536   0.699
  123    HD2  PRO  37           2HD      PRO  37 -10.748  -9.977   1.995
  124    HD3  PRO  37           3HD      PRO  37 -11.594 -11.390   2.662
  125    H    GLU  38           H        GLU  38  -6.960 -10.862   2.500
  126    HA   GLU  38           HA       GLU  38  -4.739 -12.415   1.211
  127    HB2  GLU  38           2HB      GLU  38  -5.465 -10.573  -0.293
  128    HB3  GLU  38           3HB      GLU  38  -5.111  -9.417   0.988
  129    HG2  GLU  38           2HG      GLU  38  -3.327  -9.512  -0.694
  130    HG3  GLU  38           3HG      GLU  38  -2.760  -9.928   0.908
  131    H    GLY  39           H        GLY  39  -2.907 -12.506   2.216
  132    HA2  GLY  39           2HA      GLY  39  -2.519 -11.196   4.879
  133    HA3  GLY  39           3HA      GLY  39  -1.791 -12.691   4.315
  134    H    CYS  40           H        CYS  40  -1.160 -11.697   1.678
  135    HA   CYS  40           HA       CYS  40   0.698 -11.218   0.604
  136    HG   CYS  40           HG       CYS  40  -0.568  -8.764   3.089
  137    HB2  CYS  40           2HB      CYS  40   0.989  -8.821   0.193
  138    HB3  CYS  40           3HB      CYS  40  -0.693  -9.271   0.271
  139    H    SER  41           H        SER  41   2.710  -9.497   0.595
  140    HA   SER  41           HA       SER  41   4.437  -9.717   2.959
  141    HG   SER  41           HG       SER  41   4.079 -12.080   0.389
  142    HB2  SER  41           2HB      SER  41   5.636 -10.594   0.343
  143    HB3  SER  41           3HB      SER  41   6.140 -10.976   1.991
  144    H    TRP  42           H        TRP  42   6.492  -8.277   2.537
  145    HA   TRP  42           HA       TRP  42   5.571  -5.915   1.259
  146    HD1  TRP  42           HD1      TRP  42  10.008  -4.374   1.937
  147    HE1  TRP  42           HE1      TRP  42   9.940  -2.083   0.808
  148    HE3  TRP  42           HE3      TRP  42   4.987  -4.112   0.812
  149    HZ2  TRP  42           HZ2      TRP  42   7.977  -0.445  -0.636
  150    HZ3  TRP  42           HZ3      TRP  42   4.129  -2.289  -0.563
  151    HH2  TRP  42           HH2      TRP  42   5.573  -0.450  -1.256
  152    HB2  TRP  42           2HB      TRP  42   7.283  -5.803   3.007
  153    HB3  TRP  42           3HB      TRP  42   8.464  -6.471   1.898
  154    H    GLN  43           H        GLN  43   7.729  -8.446  -0.018
  155    HA   GLN  43           HA       GLN  43   8.207  -7.122  -2.447
  156    HB2  GLN  43           2HB      GLN  43   8.582  -9.392  -3.441
  157    HB3  GLN  43           3HB      GLN  43   9.457  -9.169  -1.929
  158    HG2  GLN  43           2HG      GLN  43   8.144 -10.702  -0.766
  159    HG3  GLN  43           3HG      GLN  43   6.719 -10.423  -1.751
  160   HE21  GLN  43          1HE2      GLN  43   6.157 -12.001  -3.201
  161   HE22  GLN  43          2HE2      GLN  43   7.306 -13.201  -3.803
  162    H    ASP  44           H        ASP  44   5.273  -8.503  -1.416
  163    HA   ASP  44           HA       ASP  44   4.195  -8.909  -4.123
  164    HB2  ASP  44           2HB      ASP  44   3.001  -9.115  -1.327
  165    HB3  ASP  44           3HB      ASP  44   2.231  -9.449  -2.826
  166    H    LEU  45           H        LEU  45   3.648  -6.849  -1.252
  167    HA   LEU  45           HA       LEU  45   1.702  -5.194  -2.556
  168    HG   LEU  45           HG       LEU  45   1.191  -6.430  -0.064
  169    HB2  LEU  45           2HB      LEU  45   3.299  -5.151   0.002
  170    HB3  LEU  45           3HB      LEU  45   2.445  -3.704  -0.500
  171   HD11  LEU  45          1HD1      LEU  45   0.178  -5.162   1.943
  172   HD12  LEU  45          2HD1      LEU  45   1.924  -5.395   2.017
  173   HD13  LEU  45          3HD1      LEU  45   1.255  -3.807   1.536
  174   HD21  LEU  45          3HD2      LEU  45  -0.100  -3.725  -0.612
  175   HD22  LEU  45          1HD2      LEU  45  -0.183  -5.123  -1.676
  176   HD23  LEU  45          2HD2      LEU  45  -0.985  -5.173  -0.103
  177    H    LYS  46           H        LYS  46   5.259  -4.866  -2.194
  178    HA   LYS  46           HA       LYS  46   5.552  -2.316  -3.621
  179    HB2  LYS  46           2HB      LYS  46   7.380  -3.450  -2.302
  180    HB3  LYS  46           3HB      LYS  46   7.400  -4.719  -3.532
  181    HG2  LYS  46           2HG      LYS  46   9.235  -3.221  -3.917
  182    HG3  LYS  46           3HG      LYS  46   8.079  -3.109  -5.236
  183    HD2  LYS  46           2HD      LYS  46   8.553  -0.912  -5.001
  184    HD3  LYS  46           3HD      LYS  46   7.225  -0.970  -3.850
  185    HE2  LYS  46           2HE      LYS  46   9.035  -1.177  -2.063
  186    HE3  LYS  46           3HE      LYS  46  10.238  -1.021  -3.335
  187    HZ1  LYS  46           3HZ      LYS  46   9.733   1.163  -2.310
  188    HZ2  LYS  46           1HZ      LYS  46   9.329   1.177  -3.903
  189    HZ3  LYS  46           2HZ      LYS  46   8.168   1.062  -2.799
  190    H    ASP  47           H        ASP  47   5.680  -5.668  -4.929
  191    HA   ASP  47           HA       ASP  47   5.799  -4.755  -7.587
  192    HB2  ASP  47           2HB      ASP  47   5.880  -7.214  -6.525
  193    HB3  ASP  47           3HB      ASP  47   4.192  -7.244  -6.904
  194    H    LEU  48           H        LEU  48   2.847  -5.488  -5.732
  195    HA   LEU  48           HA       LEU  48   1.133  -4.932  -7.846
  196    HG   LEU  48           HG       LEU  48  -1.693  -4.971  -5.682
  197    HB2  LEU  48           2HB      LEU  48   0.398  -5.909  -5.758
  198    HB3  LEU  48           3HB      LEU  48   0.493  -4.354  -4.935
  199   HD11  LEU  48          1HD1      LEU  48  -1.779  -2.943  -5.129
  200   HD12  LEU  48          2HD1      LEU  48  -1.169  -2.386  -6.694
  201   HD13  LEU  48          3HD1      LEU  48  -2.734  -3.224  -6.606
  202   HD21  LEU  48          3HD2      LEU  48  -2.535  -5.162  -7.873
  203   HD22  LEU  48          1HD2      LEU  48  -1.021  -4.546  -8.549
  204   HD23  LEU  48          2HD2      LEU  48  -1.065  -6.148  -7.794
  205    H    ALA  49           H        ALA  49   2.389  -2.819  -5.247
  206    HA   ALA  49           HA       ALA  49   0.946  -0.573  -5.942
  207    HB1  ALA  49           1HB      ALA  49   3.561  -1.147  -4.519
  208    HB2  ALA  49           2HB      ALA  49   3.233   0.507  -4.938
  209    HB3  ALA  49           3HB      ALA  49   2.061  -0.384  -3.914
  210    H    ARG  50           H        ARG  50   4.019  -1.817  -7.312
  211    HA   ARG  50           HA       ARG  50   4.472   0.431  -9.053
  212    HE   ARG  50           HE       ARG  50   8.025   1.043  -7.660
  213    HB2  ARG  50           2HB      ARG  50   5.429  -2.236  -9.975
  214    HB3  ARG  50           3HB      ARG  50   6.227  -0.664 -10.017
  215    HG2  ARG  50           2HG      ARG  50   5.838  -2.525  -7.728
  216    HG3  ARG  50           3HG      ARG  50   7.286  -2.237  -8.460
  217    HD2  ARG  50           2HD      ARG  50   5.979   0.102  -7.143
  218    HD3  ARG  50           3HD      ARG  50   6.829  -1.065  -6.174
  219   HH11  ARG  50          1HH2      ARG  50   8.840  -2.384  -7.311
  220   HH12  ARG  50          2HH2      ARG  50  10.523  -2.036  -7.583
  221   HH21  ARG  50          1HH1      ARG  50  10.037   1.350  -7.858
  222   HH22  ARG  50          2HH1      ARG  50  11.207   0.033  -7.932
  223    H    GLU  51           H        GLU  51   2.450  -2.526  -9.287
  224    HA   GLU  51           HA       GLU  51   1.862  -2.226 -12.164
  225    HB2  GLU  51           2HB      GLU  51   0.578  -3.653  -9.816
  226    HB3  GLU  51           3HB      GLU  51  -0.243  -3.565 -11.301
  227    HG2  GLU  51           2HG      GLU  51   2.686  -4.484 -11.177
  228    HG3  GLU  51           3HG      GLU  51   1.471  -5.530 -10.513
  229    H    ASN  52           H        ASN  52   0.768  -0.745  -9.233
  230    HA   ASN  52           HA       ASN  52  -1.733   0.238 -10.435
  231    HB2  ASN  52           2HB      ASN  52  -0.659  -0.580  -7.802
  232    HB3  ASN  52           3HB      ASN  52  -1.685   0.715  -7.668
  233   HD21  ASN  52          2HD2      ASN  52  -1.516  -2.414  -9.286
  234   HD22  ASN  52          1HD2      ASN  52  -3.147  -2.839  -8.820
  235    H    SER  53           H        SER  53   1.114   1.743  -8.889
  236    HA   SER  53           HA       SER  53   1.756   3.892 -10.171
  237    HG   SER  53           HG       SER  53  -1.194   5.765  -8.155
  238    HB2  SER  53           2HB      SER  53   0.486   5.862  -9.477
  239    HB3  SER  53           3HB      SER  53  -0.559   4.815 -10.420
  240    H    LEU  54           H        LEU  54   1.520   2.396  -7.231
  241    HA   LEU  54           HA       LEU  54   1.553   4.666  -5.479
  242    HG   LEU  54           HG       LEU  54  -0.339   2.996  -3.904
  243    HB2  LEU  54           2HB      LEU  54   1.196   1.822  -5.226
  244    HB3  LEU  54           3HB      LEU  54   2.531   2.284  -4.178
  245   HD11  LEU  54          1HD1      LEU  54   0.214   2.353  -1.547
  246   HD12  LEU  54          2HD1      LEU  54   0.646   1.072  -2.686
  247   HD13  LEU  54          3HD1      LEU  54   1.905   2.124  -2.015
  248   HD21  LEU  54          3HD2      LEU  54   0.578   4.606  -2.020
  249   HD22  LEU  54          1HD2      LEU  54   2.045   4.615  -2.981
  250   HD23  LEU  54          2HD2      LEU  54   0.520   5.197  -3.683
  251    H    GLU  55           H        GLU  55   4.242   2.497  -6.458
  252    HA   GLU  55           HA       GLU  55   6.286   2.192  -5.740
  253    HB2  GLU  55           2HB      GLU  55   6.446   4.102  -7.202
  254    HB3  GLU  55           3HB      GLU  55   6.187   5.199  -5.845
  255    HG2  GLU  55           2HG      GLU  55   8.428   5.146  -6.416
  256    HG3  GLU  55           3HG      GLU  55   8.228   4.478  -4.793
  257    H    THR  56           H        THR  56   5.288   4.732  -3.740
  258    HA   THR  56           HA       THR  56   6.011   5.592  -1.723
  259    HB   THR  56           HB       THR  56   5.501   4.353   0.196
  260    HG1  THR  56           1HG      THR  56   5.856   2.102  -1.473
  261   HG21  THR  56          1HG2      THR  56   3.349   3.273  -0.269
  262   HG22  THR  56          2HG2      THR  56   3.522   4.844  -1.031
  263   HG23  THR  56          3HG2      THR  56   3.700   3.366  -2.005
  264    H    THR  57           H        THR  57   7.467   5.116   0.405
  265    HA   THR  57           HA       THR  57  10.224   4.605  -0.499
  266    HB   THR  57           HB       THR  57   9.267   4.792   2.373
  267    HG1  THR  57           1HG      THR  57  10.033   6.948   0.682
  268   HG21  THR  57          1HG2      THR  57  11.476   5.810   2.738
  269   HG22  THR  57          2HG2      THR  57  11.605   4.163   2.094
  270   HG23  THR  57          3HG2      THR  57  11.883   5.558   1.028
  271    H    PHE  58           H        PHE  58   7.805   3.155   1.701
  272    HA   PHE  58           HA       PHE  58   8.797   0.450   1.432
  273    HD1  PHE  58           HD1      PHE  58   9.131   3.566   4.629
  274    HD2  PHE  58           HD2      PHE  58   9.592  -0.705   5.066
  275    HE1  PHE  58           HE1      PHE  58   8.892   3.780   7.093
  276    HE2  PHE  58           HE2      PHE  58   9.314  -0.490   7.513
  277    HZ   PHE  58           HZ       PHE  58   9.030   1.751   8.542
  278    HB2  PHE  58           2HB      PHE  58  10.263   0.394   3.058
  279    HB3  PHE  58           3HB      PHE  58  10.361   2.104   2.947
  280    H    SER  59           H        SER  59   7.882  -1.001   3.115
  281    HA   SER  59           HA       SER  59   5.550   0.036   4.603
  282    HG   SER  59           HG       SER  59   3.384  -2.559   3.379
  283    HB2  SER  59           2HB      SER  59   4.590  -0.756   2.589
  284    HB3  SER  59           3HB      SER  59   5.493  -2.254   2.671
  285    H    SER  60           H        SER  60   4.971  -1.178   6.325
  286    HA   SER  60           HA       SER  60   6.816  -3.268   7.406
  287    HG   SER  60           HG       SER  60   7.270  -1.730   9.340
  288    HB2  SER  60           2HB      SER  60   4.507  -1.703   8.614
  289    HB3  SER  60           3HB      SER  60   5.410  -2.982   9.457
  290    H    VAL  61           H        VAL  61   6.328  -5.201   6.606
  291    HA   VAL  61           HA       VAL  61   3.587  -6.319   6.701
  292    HB   VAL  61           HB       VAL  61   5.237  -7.087   4.320
  293   HG11  VAL  61          1HG1      VAL  61   2.236  -6.604   4.611
  294   HG12  VAL  61          2HG1      VAL  61   3.042  -7.332   3.221
  295   HG13  VAL  61          3HG1      VAL  61   2.988  -8.188   4.760
  296   HG21  VAL  61          3HG2      VAL  61   4.208  -5.353   2.872
  297   HG22  VAL  61          1HG2      VAL  61   3.635  -4.535   4.323
  298   HG23  VAL  61          2HG2      VAL  61   5.374  -4.683   4.013
  299    H    ASN  62           H        ASN  62   3.915  -8.835   6.011
  300    HA   ASN  62           HA       ASN  62   4.966 -10.832   6.101
  301    HB2  ASN  62           2HB      ASN  62   7.467  -9.521   7.179
  302    HB3  ASN  62           3HB      ASN  62   7.362 -11.057   6.335
  303   HD21  ASN  62          1HD2      ASN  62   8.710  -8.201   5.969
  304   HD22  ASN  62          2HD2      ASN  62   8.511  -7.962   4.248
  305    H    THR  63           H        THR  63   4.626  -8.792   8.720
  306    HA   THR  63           HA       THR  63   5.250 -10.528  10.955
  307    HB   THR  63           HB       THR  63   5.379  -8.062  10.957
  308    HG1  THR  63           1HG      THR  63   4.553  -7.836  12.995
  309   HG21  THR  63          1HG2      THR  63   3.382  -6.685  11.273
  310   HG22  THR  63          2HG2      THR  63   3.345  -7.457   9.685
  311   HG23  THR  63          3HG2      THR  63   2.327  -8.082  11.003
  312    H    ARG  64           H        ARG  64   2.953 -10.100  12.534
  313    HA   ARG  64           HA       ARG  64   0.796 -11.731  11.230
  314    HE   ARG  64           HE       ARG  64   2.184 -13.322  10.206
  315    HB2  ARG  64           2HB      ARG  64   1.772 -11.881  14.108
  316    HB3  ARG  64           3HB      ARG  64   0.355 -12.716  13.484
  317    HG2  ARG  64           2HG      ARG  64   3.193 -13.215  12.443
  318    HG3  ARG  64           3HG      ARG  64   2.443 -14.098  13.758
  319    HD2  ARG  64           2HD      ARG  64   2.182 -15.469  11.874
  320    HD3  ARG  64           3HD      ARG  64   0.589 -14.788  12.217
  321   HH11  ARG  64          2HH1      ARG  64  -0.362 -15.750  10.620
  322   HH12  ARG  64          1HH1      ARG  64  -0.958 -15.406   8.990
  323   HH21  ARG  64          1HH2      ARG  64   1.362 -13.159   8.145
  324   HH22  ARG  64          2HH2      ARG  64  -0.038 -14.134   7.713
  325    H    ASP  65           H        ASP  65  -1.124 -11.052  11.349
  326    HA   ASP  65           HA       ASP  65  -1.998  -8.710  13.006
  327    HB2  ASP  65           2HB      ASP  65  -1.163  -8.284  10.512
  328    HB3  ASP  65           3HB      ASP  65  -2.692  -9.024  10.058
  329    H    PHE  66           H        PHE  66  -4.605  -8.930  11.340
  330    HA   PHE  66           HA       PHE  66  -6.000 -11.119  12.564
  331    HD1  PHE  66           HD1      PHE  66  -5.529  -8.338   9.158
  332    HD2  PHE  66           HD2      PHE  66  -7.839 -11.983   9.201
  333    HE1  PHE  66           HE1      PHE  66  -5.201  -8.589   6.698
  334    HE2  PHE  66           HE2      PHE  66  -7.526 -12.211   6.760
  335    HZ   PHE  66           HZ       PHE  66  -6.242 -10.504   5.501
  336    HB2  PHE  66           2HB      PHE  66  -7.749 -10.561  11.158
  337    HB3  PHE  66           3HB      PHE  66  -6.860  -9.043  11.182
  338    H    ASP  67           H        ASP  67  -3.933 -10.822   9.736
  339    HA   ASP  67           HA       ASP  67  -3.015 -13.544   9.907
  340    HB2  ASP  67           2HB      ASP  67  -4.822 -14.048   8.351
  341    HB3  ASP  67           3HB      ASP  67  -4.461 -12.620   7.384
  342    H    GLY  68           H        GLY  68  -3.122 -11.009   7.355
  343    HA2  GLY  68           2HA      GLY  68  -0.598  -9.785   8.209
  344    HA3  GLY  68           3HA      GLY  68  -0.557 -10.593   6.663
  345    H    THR  69           H        THR  69  -0.641  -7.818   7.746
  346    HA   THR  69           HA       THR  69  -2.050  -6.603   5.405
  347    HB   THR  69           HB       THR  69  -2.640  -4.651   6.590
  348    HG1  THR  69           1HG      THR  69  -2.021  -5.504   9.142
  349   HG21  THR  69          1HG2      THR  69  -3.535  -6.995   8.313
  350   HG22  THR  69          2HG2      THR  69  -4.288  -5.390   8.247
  351   HG23  THR  69          3HG2      THR  69  -4.290  -6.443   6.816
  352    H    GLY  70           H        GLY  70  -1.009  -4.698   4.622
  353    HA2  GLY  70           2HA      GLY  70   1.846  -4.410   5.478
  354    HA3  GLY  70           3HA      GLY  70   1.238  -3.964   3.888
  355    H    ALA  71           H        ALA  71   2.586  -2.292   5.876
  356    HA   ALA  71           HA       ALA  71   0.558  -0.165   5.707
  357    HB1  ALA  71           1HB      ALA  71   2.182  -0.693   8.247
  358    HB2  ALA  71           2HB      ALA  71   0.969   0.593   8.012
  359    HB3  ALA  71           3HB      ALA  71   0.465  -1.096   8.031
  360    H    LEU  72           H        LEU  72   1.313   1.388   4.494
  361    HA   LEU  72           HA       LEU  72   4.173   1.374   3.765
  362    HG   LEU  72           HG       LEU  72   1.741   1.343   0.724
  363    HB2  LEU  72           2HB      LEU  72   1.786   2.717   2.536
  364    HB3  LEU  72           3HB      LEU  72   3.357   2.801   1.932
  365   HD11  LEU  72          1HD1      LEU  72   3.676  -0.518   0.633
  366   HD12  LEU  72          2HD1      LEU  72   3.681   0.995  -0.237
  367   HD13  LEU  72          3HD1      LEU  72   4.583   0.878   1.271
  368   HD21  LEU  72          3HD2      LEU  72   0.789   0.120   2.594
  369   HD22  LEU  72          1HD2      LEU  72   1.450  -0.954   1.341
  370   HD23  LEU  72          2HD2      LEU  72   2.323  -0.690   2.849
  371    H    GLU  73           H        GLU  73   5.350   3.276   3.528
  372    HA   GLU  73           HA       GLU  73   4.249   5.803   4.798
  373    HB2  GLU  73           2HB      GLU  73   5.622   4.730   6.380
  374    HB3  GLU  73           3HB      GLU  73   6.936   4.475   5.240
  375    HG2  GLU  73           2HG      GLU  73   7.611   6.711   5.258
  376    HG3  GLU  73           3HG      GLU  73   6.080   7.309   5.854
  377    H    PHE  74           H        PHE  74   4.848   7.800   3.804
  378    HA   PHE  74           HA       PHE  74   7.104   7.831   1.944
  379    HD1  PHE  74           HD1      PHE  74   7.311   6.970  -0.194
  380    HD2  PHE  74           HD2      PHE  74   5.350  10.725  -0.690
  381    HE1  PHE  74           HE1      PHE  74   8.933   7.550  -2.003
  382    HE2  PHE  74           HE2      PHE  74   7.001  11.380  -2.413
  383    HZ   PHE  74           HZ       PHE  74   8.790   9.787  -3.089
  384    HB2  PHE  74           2HB      PHE  74   4.656   7.599   0.658
  385    HB3  PHE  74           3HB      PHE  74   4.671   9.295   0.977
  386    HA   PRO  75           HA       PRO  75   7.828  11.981   3.583
  387    HB2  PRO  75           2HB      PRO  75   8.764  12.382   0.729
  388    HB3  PRO  75           3HB      PRO  75   9.475  13.029   2.242
  389    HG2  PRO  75           2HG      PRO  75  10.524  10.805   1.160
  390    HG3  PRO  75           3HG      PRO  75  10.188  10.830   2.922
  391    HD2  PRO  75           2HD      PRO  75   8.550   9.615   0.707
  392    HD3  PRO  75           3HD      PRO  75   8.947   8.940   2.313
  393    H    SER  76           H        SER  76   5.602  11.512   0.872
  394    HA   SER  76           HA       SER  76   4.391  14.176   1.452
  395    HG   SER  76           HG       SER  76   5.796  15.137  -1.602
  396    HB2  SER  76           2HB      SER  76   4.843  12.907  -1.255
  397    HB3  SER  76           3HB      SER  76   3.871  14.330  -0.997
  398    H    GLU  77           H        GLU  77   2.315  14.130   1.810
  399    HA   GLU  77           HA       GLU  77   0.799  11.773   1.707
  400    HB2  GLU  77           2HB      GLU  77  -1.183  13.175   2.010
  401    HB3  GLU  77           3HB      GLU  77   0.098  13.523   3.159
  402    HG2  GLU  77           2HG      GLU  77   0.115  15.115   0.624
  403    HG3  GLU  77           3HG      GLU  77  -1.272  15.346   1.673
  404    H    GLU  78           H        GLU  78   1.665  13.738  -0.941
  405    HA   GLU  78           HA       GLU  78  -0.301  13.375  -2.915
  406    HB2  GLU  78           2HB      GLU  78   2.719  12.901  -3.090
  407    HB3  GLU  78           3HB      GLU  78   1.648  13.134  -4.476
  408    HG2  GLU  78           2HG      GLU  78   1.192  15.434  -3.807
  409    HG3  GLU  78           3HG      GLU  78   2.075  15.225  -2.295
  410    H    ILE  79           H        ILE  79   2.119  10.995  -1.799
  411    HA   ILE  79           HA       ILE  79   1.176   8.875  -3.543
  412    HB   ILE  79           HB       ILE  79   3.175   8.846  -1.260
  413   HG12  ILE  79          2HG1      ILE  79   3.279   9.833  -4.047
  414   HG13  ILE  79          3HG1      ILE  79   4.229  10.268  -2.692
  415   HG21  ILE  79          1HG2      ILE  79   4.016   6.765  -2.271
  416   HG22  ILE  79          2HG2      ILE  79   2.332   6.595  -1.815
  417   HG23  ILE  79          3HG2      ILE  79   2.738   6.868  -3.516
  418   HD11  ILE  79          3HD1      ILE  79   5.650   9.369  -4.400
  419   HD12  ILE  79          1HD1      ILE  79   5.616   8.159  -3.102
  420   HD13  ILE  79          2HD1      ILE  79   4.660   7.908  -4.573
  421    H    LEU  80           H        LEU  80   0.589   9.784  -0.195
  422    HA   LEU  80           HA       LEU  80  -0.749   7.423   0.655
  423    HG   LEU  80           HG       LEU  80  -2.825  10.220   1.908
  424    HB2  LEU  80           2HB      LEU  80  -0.224   8.688   2.432
  425    HB3  LEU  80           3HB      LEU  80  -0.377  10.185   1.576
  426   HD11  LEU  80          1HD1      LEU  80  -3.887   8.818   3.494
  427   HD12  LEU  80          2HD1      LEU  80  -3.058   7.714   2.384
  428   HD13  LEU  80          3HD1      LEU  80  -2.348   8.082   3.978
  429   HD21  LEU  80          3HD2      LEU  80  -1.175   9.964   4.444
  430   HD22  LEU  80          1HD2      LEU  80  -1.303  11.419   3.440
  431   HD23  LEU  80          2HD2      LEU  80  -2.736  10.795   4.275
  432    H    VAL  81           H        VAL  81  -1.950  10.546  -0.656
  433    HA   VAL  81           HA       VAL  81  -4.758   9.835  -0.674
  434    HB   VAL  81           HB       VAL  81  -3.175  11.989  -2.182
  435   HG11  VAL  81          1HG1      VAL  81  -5.356  13.177  -2.464
  436   HG12  VAL  81          2HG1      VAL  81  -5.295  11.669  -3.372
  437   HG13  VAL  81          3HG1      VAL  81  -6.197  11.740  -1.839
  438   HG21  VAL  81          3HG2      VAL  81  -4.039  13.550  -0.524
  439   HG22  VAL  81          1HG2      VAL  81  -4.937  12.237   0.281
  440   HG23  VAL  81          2HG2      VAL  81  -3.164  12.255   0.292
  441    H    GLU  82           H        GLU  82  -2.155   9.642  -3.064
  442    HA   GLU  82           HA       GLU  82  -3.524   8.697  -5.267
  443    HB2  GLU  82           2HB      GLU  82  -0.892   8.648  -3.959
  444    HB3  GLU  82           3HB      GLU  82  -1.151   7.220  -4.757
  445    HG2  GLU  82           2HG      GLU  82  -1.268  10.049  -5.815
  446    HG3  GLU  82           3HG      GLU  82   0.076   8.937  -6.067
  447    H    ALA  83           H        ALA  83  -1.911   6.502  -2.841
  448    HA   ALA  83           HA       ALA  83  -3.328   4.168  -3.614
  449    HB1  ALA  83           1HB      ALA  83  -1.481   3.974  -2.192
  450    HB2  ALA  83           2HB      ALA  83  -2.229   4.943  -0.893
  451    HB3  ALA  83           3HB      ALA  83  -2.849   3.319  -1.307
  452    H    LEU  84           H        LEU  84  -4.510   6.623  -1.363
  453    HA   LEU  84           HA       LEU  84  -6.784   5.040  -0.399
  454    HG   LEU  84           HG       LEU  84  -5.013   7.902   1.189
  455    HB2  LEU  84           2HB      LEU  84  -6.431   8.073  -0.470
  456    HB3  LEU  84           3HB      LEU  84  -7.716   7.257   0.316
  457   HD11  LEU  84          1HD1      LEU  84  -6.051   7.800   3.365
  458   HD12  LEU  84          2HD1      LEU  84  -7.074   8.674   2.217
  459   HD13  LEU  84          3HD1      LEU  84  -7.490   7.002   2.669
  460   HD21  LEU  84          3HD2      LEU  84  -6.036   5.101   1.655
  461   HD22  LEU  84          1HD2      LEU  84  -4.477   5.580   0.976
  462   HD23  LEU  84          2HD2      LEU  84  -4.781   5.909   2.686
  463    H    GLU  85           H        GLU  85  -6.254   7.099  -3.211
  464    HA   GLU  85           HA       GLU  85  -9.037   6.632  -3.998
  465    HB2  GLU  85           2HB      GLU  85  -6.779   8.253  -5.254
  466    HB3  GLU  85           3HB      GLU  85  -8.401   8.137  -5.951
  467    HG2  GLU  85           2HG      GLU  85  -9.383   9.211  -4.007
  468    HG3  GLU  85           3HG      GLU  85  -7.818   9.286  -3.199
  469    H    ARG  86           H        ARG  86  -5.994   5.095  -4.544
  470    HA   ARG  86           HA       ARG  86  -6.648   4.126  -7.299
  471    HE   ARG  86           HE       ARG  86  -3.678   7.847  -8.710
  472    HB2  ARG  86           2HB      ARG  86  -4.177   4.887  -5.756
  473    HB3  ARG  86           3HB      ARG  86  -3.985   3.538  -6.641
  474    HG2  ARG  86           2HG      ARG  86  -3.283   5.312  -7.976
  475    HG3  ARG  86           3HG      ARG  86  -4.809   4.819  -8.733
  476    HD2  ARG  86           2HD      ARG  86  -6.072   6.517  -7.516
  477    HD3  ARG  86           3HD      ARG  86  -4.629   6.969  -6.599
  478   HH11  ARG  86          2HH1      ARG  86  -7.106   8.107  -8.029
  479   HH12  ARG  86          1HH1      ARG  86  -6.965   9.792  -7.601
  480   HH21  ARG  86          1HH2      ARG  86  -3.661  10.006  -8.490
  481   HH22  ARG  86          2HH2      ARG  86  -5.168  10.904  -8.299
  482    H    LEU  87           H        LEU  87  -5.918   3.090  -4.042
  483    HA   LEU  87           HA       LEU  87  -6.003   0.303  -4.831
  484    HG   LEU  87           HG       LEU  87  -3.999  -0.316  -5.033
  485    HB2  LEU  87           2HB      LEU  87  -4.197   1.856  -2.985
  486    HB3  LEU  87           3HB      LEU  87  -4.604   0.204  -2.613
  487   HD11  LEU  87          1HD1      LEU  87  -3.090   2.448  -4.942
  488   HD12  LEU  87          2HD1      LEU  87  -1.963   1.298  -5.645
  489   HD13  LEU  87          3HD1      LEU  87  -3.619   1.367  -6.285
  490   HD21  LEU  87          3HD2      LEU  87  -1.684   0.494  -3.259
  491   HD22  LEU  87          1HD2      LEU  87  -2.593  -1.022  -3.098
  492   HD23  LEU  87          2HD2      LEU  87  -1.675  -0.715  -4.578
  493    H    ASN  88           H        ASN  88  -8.034   2.467  -3.391
  494    HA   ASN  88           HA       ASN  88  -8.669   0.764  -1.160
  495    HB2  ASN  88           2HB      ASN  88  -8.866   3.226  -1.030
  496    HB3  ASN  88           3HB      ASN  88 -10.296   3.131  -2.076
  497   HD21  ASN  88          1HD2      ASN  88 -11.935   3.572  -0.553
  498   HD22  ASN  88          2HD2      ASN  88 -12.146   2.656   0.927
  499    H    ASN  89           H        ASN  89  -9.368  -1.139  -1.551
  500    HA   ASN  89           HA       ASN  89 -10.575  -2.893  -2.032
  501    HB2  ASN  89           2HB      ASN  89 -12.431  -1.445  -1.065
  502    HB3  ASN  89           3HB      ASN  89 -13.027  -1.312  -2.731
  503   HD21  ASN  89          1HD2      ASN  89 -12.026  -3.634  -0.172
  504   HD22  ASN  89          2HD2      ASN  89 -13.115  -4.910  -0.704
  505    H    ILE  90           H        ILE  90  -8.774  -2.484  -3.661
  506    HA   ILE  90           HA       ILE  90  -9.861  -2.915  -6.417
  507    HB   ILE  90           HB       ILE  90  -7.750  -2.308  -7.399
  508   HG12  ILE  90          2HG1      ILE  90  -6.121  -1.042  -6.218
  509   HG13  ILE  90          3HG1      ILE  90  -6.669  -1.751  -4.672
  510   HG21  ILE  90          1HG2      ILE  90  -9.617  -0.629  -6.811
  511   HG22  ILE  90          2HG2      ILE  90  -8.611  -0.124  -5.434
  512   HG23  ILE  90          3HG2      ILE  90  -8.027   0.057  -7.112
  513   HD11  ILE  90          3HD1      ILE  90  -5.463  -3.194  -7.061
  514   HD12  ILE  90          1HD1      ILE  90  -4.590  -2.620  -5.636
  515   HD13  ILE  90          2HD1      ILE  90  -5.782  -3.910  -5.453
  516    H    GLU  91           H        GLU  91  -9.163  -4.582  -7.603
  517    HA   GLU  91           HA       GLU  91  -8.403  -6.976  -6.214
  518    HB2  GLU  91           2HB      GLU  91  -9.875  -6.900  -8.192
  519    HB3  GLU  91           3HB      GLU  91  -8.486  -6.308  -9.084
  520    HG2  GLU  91           2HG      GLU  91  -7.497  -8.628  -7.991
  521    HG3  GLU  91           3HG      GLU  91  -9.174  -9.063  -8.246
  522    H    PHE  92           H        PHE  92  -6.521  -7.291  -5.454
  523    HA   PHE  92           HA       PHE  92  -4.007  -6.093  -6.260
  524    HD1  PHE  92           HD1      PHE  92  -1.790  -7.824  -6.046
  525    HD2  PHE  92           HD2      PHE  92  -3.282  -7.359  -2.018
  526    HE1  PHE  92           HE1      PHE  92   0.487  -8.044  -5.174
  527    HE2  PHE  92           HE2      PHE  92  -0.963  -7.452  -1.175
  528    HZ   PHE  92           HZ       PHE  92   0.921  -7.671  -2.808
  529    HB2  PHE  92           2HB      PHE  92  -4.685  -6.699  -3.902
  530    HB3  PHE  92           3HB      PHE  92  -4.684  -8.352  -4.327
  531    H    ARG  93           H        ARG  93  -4.391  -6.933  -8.493
  532    HA   ARG  93           HA       ARG  93  -4.023  -8.207 -10.235
  533    HE   ARG  93           HE       ARG  93   0.668  -8.075 -11.750
  534    HB2  ARG  93           2HB      ARG  93  -1.714  -7.908  -9.122
  535    HB3  ARG  93           3HB      ARG  93  -1.841  -9.607  -8.677
  536    HG2  ARG  93           2HG      ARG  93  -2.259  -9.950 -11.300
  537    HG3  ARG  93           3HG      ARG  93  -1.660  -8.317 -11.454
  538    HD2  ARG  93           2HD      ARG  93  -0.048 -10.320  -9.857
  539    HD3  ARG  93           3HD      ARG  93  -0.118 -10.505 -11.605
  540   HH11  ARG  93          1HH2      ARG  93   1.790 -10.087  -9.034
  541   HH12  ARG  93          2HH2      ARG  93   3.351  -9.256  -9.106
  542   HH21  ARG  93          1HH1      ARG  93   2.602  -7.271 -11.715
  543   HH22  ARG  93          2HH1      ARG  93   3.794  -7.807 -10.485
  544    H    GLY  94           H        GLY  94  -5.733  -9.598  -7.973
  545    HA2  GLY  94           2HA      GLY  94  -6.742 -11.935  -8.926
  546    HA3  GLY  94           3HA      GLY  94  -5.193 -12.470  -8.268
  547    H    SER  95           H        SER  95  -5.252 -10.499  -5.968
  548    HA   SER  95           HA       SER  95  -7.391 -11.690  -4.256
  549    HG   SER  95           HG       SER  95  -4.164 -12.205  -2.761
  550    HB2  SER  95           2HB      SER  95  -4.777 -10.243  -3.574
  551    HB3  SER  95           3HB      SER  95  -5.996 -10.792  -2.412
  552    H    VAL  96           H        VAL  96  -7.445  -9.404  -2.512
  553    HA   VAL  96           HA       VAL  96  -7.608  -7.000  -4.115
  554    HB   VAL  96           HB       VAL  96  -9.647  -6.743  -4.593
  555   HG11  VAL  96          1HG1      VAL  96 -10.043  -8.998  -4.889
  556   HG12  VAL  96          2HG1      VAL  96 -10.417  -9.240  -3.145
  557   HG13  VAL  96          3HG1      VAL  96 -11.477  -8.266  -4.203
  558   HG21  VAL  96          3HG2      VAL  96 -11.438  -6.247  -3.155
  559   HG22  VAL  96          1HG2      VAL  96 -10.523  -6.827  -1.745
  560   HG23  VAL  96          2HG2      VAL  96  -9.979  -5.403  -2.688
  561    H    ILE  97           H        ILE  97  -7.613  -5.080  -2.841
  562    HA   ILE  97           HA       ILE  97  -7.159  -5.348   0.088
  563    HB   ILE  97           HB       ILE  97  -5.400  -3.469  -0.299
  564   HG12  ILE  97          2HG1      ILE  97  -5.260  -4.827  -3.003
  565   HG13  ILE  97          3HG1      ILE  97  -5.747  -3.164  -2.690
  566   HG21  ILE  97          1HG2      ILE  97  -3.615  -5.113  -0.234
  567   HG22  ILE  97          2HG2      ILE  97  -4.966  -5.617   0.750
  568   HG23  ILE  97          3HG2      ILE  97  -4.749  -6.381  -0.836
  569   HD11  ILE  97          3HD1      ILE  97  -3.486  -3.168  -3.477
  570   HD12  ILE  97          1HD1      ILE  97  -3.470  -2.719  -1.758
  571   HD13  ILE  97          2HD1      ILE  97  -2.978  -4.356  -2.273
  572    H    THR  98           H        THR  98  -7.839  -3.760   1.281
  573    HA   THR  98           HA       THR  98  -9.208  -1.293   0.232
  574    HB   THR  98           HB       THR  98  -9.457  -2.780   2.848
  575    HG1  THR  98           1HG      THR  98 -11.467  -3.432   2.087
  576   HG21  THR  98          1HG2      THR  98 -11.289  -0.614   1.769
  577   HG22  THR  98          2HG2      THR  98 -11.350  -1.391   3.363
  578   HG23  THR  98          3HG2      THR  98 -10.006  -0.306   2.966
  579    H    VAL  99           H        VAL  99  -8.387   0.631   1.054
  580    HA   VAL  99           HA       VAL  99  -5.993   0.447   2.795
  581    HB   VAL  99           HB       VAL  99  -4.558   1.616   1.348
  582   HG11  VAL  99          1HG1      VAL  99  -4.191  -0.002  -0.388
  583   HG12  VAL  99          2HG1      VAL  99  -4.832  -0.876   0.997
  584   HG13  VAL  99          3HG1      VAL  99  -5.881  -0.535  -0.359
  585   HG21  VAL  99          3HG2      VAL  99  -5.978   3.118   0.198
  586   HG22  VAL  99          1HG2      VAL  99  -5.287   2.050  -1.017
  587   HG23  VAL  99          2HG2      VAL  99  -6.955   1.792  -0.452
  588    H    GLU 100           H        GLU 100  -5.460   2.160   3.915
  589    HA   GLU 100           HA       GLU 100  -6.861   4.755   3.611
  590    HB2  GLU 100           2HB      GLU 100  -8.034   4.620   5.766
  591    HB3  GLU 100           3HB      GLU 100  -8.696   3.487   4.624
  592    HG2  GLU 100           2HG      GLU 100  -6.697   2.659   6.773
  593    HG3  GLU 100           3HG      GLU 100  -8.417   2.786   7.077
  594    H    ARG 101           H        ARG 101  -6.301   6.310   4.985
  595    HA   ARG 101           HA       ARG 101  -3.703   6.581   6.091
  596    HE   ARG 101           HE       ARG 101  -6.896  10.042   8.540
  597    HB2  ARG 101           2HB      ARG 101  -4.643   8.592   7.090
  598    HB3  ARG 101           3HB      ARG 101  -5.124   8.433   5.415
  599    HG2  ARG 101           2HG      ARG 101  -7.324   7.402   6.269
  600    HG3  ARG 101           3HG      ARG 101  -6.817   7.899   7.878
  601    HD2  ARG 101           2HD      ARG 101  -6.711  10.051   5.803
  602    HD3  ARG 101           3HD      ARG 101  -8.310   9.356   6.064
  603   HH11  ARG 101          1HH1      ARG 101  -9.263  11.196   6.198
  604   HH12  ARG 101          2HH1      ARG 101  -9.910  12.368   7.315
  605   HH21  ARG 101          2HH2      ARG 101  -7.638  11.629   9.816
  606   HH22  ARG 101          1HH2      ARG 101  -9.023  12.600   9.335
  607    H    ASP 102           H        ASP 102  -2.815   6.056   7.896
  608    HA   ASP 102           HA       ASP 102  -4.405   4.972  10.171
  609    HB2  ASP 102           2HB      ASP 102  -3.177   3.361   8.503
  610    HB3  ASP 102           3HB      ASP 102  -1.728   3.826   9.370
  611    H    ASP 103           H        ASP 103  -1.627   7.000   9.281
  612    HA   ASP 103           HA       ASP 103  -0.971   7.545  12.128
  613    HB2  ASP 103           2HB      ASP 103   0.764   8.924  11.315
  614    HB3  ASP 103           3HB      ASP 103   0.777   7.518  10.275
  615    H    ASN 104           H        ASN 104  -3.298   8.644   9.900
  616    HA   ASN 104           HA       ASN 104  -3.653  11.296  11.215
  617    HB2  ASN 104           2HB      ASN 104  -2.281  11.144   8.946
  618    HB3  ASN 104           3HB      ASN 104  -3.862  10.937   8.211
  619   HD21  ASN 104          1HD2      ASN 104  -5.290  12.810   9.949
  620   HD22  ASN 104          2HD2      ASN 104  -4.686  14.412   9.499
  Start of MODEL   20
    1    HA   PRO  25           HA       PRO  25   6.827  18.022  11.537
    2    HB2  PRO  25           2HB      PRO  25   9.326  17.562  10.055
    3    HB3  PRO  25           3HB      PRO  25   9.111  18.187  11.701
    4    HG2  PRO  25           2HG      PRO  25  10.178  15.670  11.185
    5    HG3  PRO  25           3HG      PRO  25   9.241  16.051  12.667
    6    HD2  PRO  25           2HD      PRO  25   8.226  14.844  10.069
    7    HD3  PRO  25           3HD      PRO  25   7.996  14.218  11.724
    8    H    ALA  26           H        ALA  26   8.173  16.592   8.541
    9    HA   ALA  26           HA       ALA  26   6.090  17.907   6.880
   10    HB1  ALA  26           1HB      ALA  26   8.356  17.542   5.951
   11    HB2  ALA  26           2HB      ALA  26   8.234  15.802   6.315
   12    HB3  ALA  26           3HB      ALA  26   7.162  16.519   5.089
   13    H    LYS  27           H        LYS  27   5.332  15.672   5.302
   14    HA   LYS  27           HA       LYS  27   3.706  14.105   7.156
   15    HB2  LYS  27           2HB      LYS  27   4.039  14.294   4.199
   16    HB3  LYS  27           3HB      LYS  27   3.604  12.685   4.773
   17    HG2  LYS  27           2HG      LYS  27   2.130  15.249   5.465
   18    HG3  LYS  27           3HG      LYS  27   1.677  14.061   4.241
   19    HD2  LYS  27           2HD      LYS  27   1.661  12.328   6.187
   20    HD3  LYS  27           3HD      LYS  27   1.658  13.712   7.273
   21    HE2  LYS  27           2HE      LYS  27  -0.407  13.080   5.155
   22    HE3  LYS  27           3HE      LYS  27  -0.602  12.890   6.890
   23    HZ1  LYS  27           3HZ      LYS  27  -1.569  14.988   5.984
   24    HZ2  LYS  27           1HZ      LYS  27  -0.469  15.292   7.155
   25    HZ3  LYS  27           2HZ      LYS  27  -0.125  15.520   5.559
   26    H    ARG  28           H        ARG  28   3.704  11.938   7.362
   27    HA   ARG  28           HA       ARG  28   5.797  10.170   6.678
   28    HE   ARG  28           HE       ARG  28   5.390  10.338  11.792
   29    HB2  ARG  28           2HB      ARG  28   6.500   9.807   9.248
   30    HB3  ARG  28           3HB      ARG  28   7.269  11.025   8.272
   31    HG2  ARG  28           2HG      ARG  28   6.725  11.798  10.498
   32    HG3  ARG  28           3HG      ARG  28   6.054  12.818   9.266
   33    HD2  ARG  28           2HD      ARG  28   4.493  12.702  11.021
   34    HD3  ARG  28           3HD      ARG  28   3.798  11.745   9.705
   35   HH11  ARG  28          2HH2      ARG  28   2.040  10.737  10.485
   36   HH12  ARG  28          1HH2      ARG  28   1.533   9.520  11.641
   37   HH21  ARG  28          2HH1      ARG  28   4.447   8.740  13.006
   38   HH22  ARG  28          1HH1      ARG  28   2.715   8.460  12.820
   39    H    TYR  29           H        TYR  29   3.265  10.259   6.394
   40    HA   TYR  29           HA       TYR  29   1.472   8.845   8.044
   41    HD1  TYR  29           HD2      TYR  29   0.586   6.621   4.925
   42    HD2  TYR  29           HD1      TYR  29   2.406  10.405   3.853
   43    HE1  TYR  29           HE2      TYR  29   1.360   5.641   2.790
   44    HE2  TYR  29           HE1      TYR  29   2.934   9.517   1.695
   45    HH   TYR  29           HH       TYR  29   2.941   7.558   0.296
   46    HB2  TYR  29           2HB      TYR  29   0.082   8.704   6.117
   47    HB3  TYR  29           3HB      TYR  29   0.992  10.172   5.898
   48    H    ARG  30           H        ARG  30   0.490   6.748   7.613
   49    HA   ARG  30           HA       ARG  30   2.172   4.662   6.367
   50    HE   ARG  30           HE       ARG  30   3.601   0.178   7.534
   51    HB2  ARG  30           2HB      ARG  30   2.689   4.653   8.812
   52    HB3  ARG  30           3HB      ARG  30   0.981   4.496   9.145
   53    HG2  ARG  30           2HG      ARG  30   2.030   2.372   9.449
   54    HG3  ARG  30           3HG      ARG  30   0.976   2.245   8.041
   55    HD2  ARG  30           2HD      ARG  30   2.695   2.038   6.561
   56    HD3  ARG  30           3HD      ARG  30   3.811   3.036   7.495
   57   HH11  ARG  30          2HH1      ARG  30   4.574   2.867   9.580
   58   HH12  ARG  30          1HH1      ARG  30   5.464   1.828  10.655
   59   HH21  ARG  30          2HH2      ARG  30   4.600  -1.072   9.018
   60   HH22  ARG  30          1HH2      ARG  30   5.502  -0.348  10.334
   61    H    ILE  31           H        ILE  31   0.782   3.718   4.847
   62    HA   ILE  31           HA       ILE  31  -2.158   3.717   5.454
   63    HB   ILE  31           HB       ILE  31  -2.542   2.866   3.190
   64   HG12  ILE  31          2HG1      ILE  31   0.355   3.539   2.615
   65   HG13  ILE  31          3HG1      ILE  31  -0.246   1.883   2.849
   66   HG21  ILE  31          1HG2      ILE  31  -2.279   4.989   2.065
   67   HG22  ILE  31          2HG2      ILE  31  -2.723   5.242   3.758
   68   HG23  ILE  31          3HG2      ILE  31  -1.040   5.497   3.235
   69   HD11  ILE  31          3HD1      ILE  31  -1.877   2.278   0.981
   70   HD12  ILE  31          1HD1      ILE  31  -0.997   3.788   0.632
   71   HD13  ILE  31          2HD1      ILE  31  -0.157   2.231   0.513
   72    H    THR  32           H        THR  32  -3.331   1.921   5.210
   73    HA   THR  32           HA       THR  32  -2.228  -0.825   5.778
   74    HB   THR  32           HB       THR  32  -5.046   0.203   5.874
   75    HG1  THR  32           1HG      THR  32  -3.616   0.170   8.251
   76   HG21  THR  32          1HG2      THR  32  -3.666  -2.090   7.323
   77   HG22  THR  32          2HG2      THR  32  -5.362  -1.618   7.586
   78   HG23  THR  32          3HG2      THR  32  -4.845  -2.209   6.004
   79    H    MET  33           H        MET  33  -2.470  -2.295   4.311
   80    HA   MET  33           HA       MET  33  -4.494  -1.993   2.207
   81    HB2  MET  33           2HB      MET  33  -1.704  -3.017   1.542
   82    HB3  MET  33           3HB      MET  33  -3.047  -2.653   0.467
   83    HG2  MET  33           2HG      MET  33  -2.632  -0.211   1.664
   84    HG3  MET  33           3HG      MET  33  -1.029  -0.884   1.693
   85    HE1  MET  33           3HE      MET  33  -0.116  -1.972  -0.714
   86    HE2  MET  33           1HE      MET  33  -1.713  -2.490  -1.344
   87    HE3  MET  33           2HE      MET  33  -0.670  -1.411  -2.307
   88    H    LYS  34           H        LYS  34  -5.831  -3.431   2.613
   89    HA   LYS  34           HA       LYS  34  -5.276  -6.194   3.653
   90    HB2  LYS  34           2HB      LYS  34  -5.081  -4.382   5.387
   91    HB3  LYS  34           3HB      LYS  34  -6.528  -3.617   4.693
   92    HG2  LYS  34           2HG      LYS  34  -6.980  -6.199   5.913
   93    HG3  LYS  34           3HG      LYS  34  -6.521  -4.805   6.952
   94    HD2  LYS  34           2HD      LYS  34  -8.708  -4.456   4.882
   95    HD3  LYS  34           3HD      LYS  34  -9.118  -5.199   6.382
   96    HE2  LYS  34           2HE      LYS  34  -8.906  -3.206   7.552
   97    HE3  LYS  34           3HE      LYS  34  -7.483  -2.696   6.632
   98    HZ1  LYS  34           3HZ      LYS  34 -10.197  -2.610   5.451
   99    HZ2  LYS  34           1HZ      LYS  34  -9.504  -1.324   6.198
  100    HZ3  LYS  34           2HZ      LYS  34  -8.805  -1.893   4.899
  101    H    ASN  35           H        ASN  35  -7.384  -7.466   3.597
  102    HA   ASN  35           HA       ASN  35  -9.727  -5.820   3.569
  103    HB2  ASN  35           2HB      ASN  35  -9.922  -5.536   1.353
  104    HB3  ASN  35           3HB      ASN  35  -8.765  -6.778   0.998
  105   HD21  ASN  35          2HD2      ASN  35  -9.414  -8.701   0.241
  106   HD22  ASN  35          1HD2      ASN  35 -11.111  -9.068  -0.118
  107    H    LEU  36           H        LEU  36  -8.949  -9.211   2.655
  108    HA   LEU  36           HA       LEU  36 -10.643 -10.307   4.821
  109    HG   LEU  36           HG       LEU  36 -12.559 -11.850   4.396
  110    HB2  LEU  36           2HB      LEU  36 -12.106  -9.862   2.864
  111    HB3  LEU  36           3HB      LEU  36 -11.117 -10.919   1.866
  112   HD11  LEU  36          1HD1      LEU  36 -14.321 -12.705   2.896
  113   HD12  LEU  36          2HD1      LEU  36 -14.185 -10.946   2.776
  114   HD13  LEU  36          3HD1      LEU  36 -13.499 -11.973   1.494
  115   HD21  LEU  36          3HD2      LEU  36 -11.444 -13.386   1.998
  116   HD22  LEU  36          1HD2      LEU  36 -10.852 -13.472   3.672
  117   HD23  LEU  36          2HD2      LEU  36 -12.448 -14.094   3.283
  118    HA   PRO  37           HA       PRO  37  -6.764 -12.044   5.701
  119    HB2  PRO  37           2HB      PRO  37  -8.322 -14.627   5.511
  120    HB3  PRO  37           3HB      PRO  37  -6.911 -14.260   6.565
  121    HG2  PRO  37           2HG      PRO  37  -9.387 -13.820   7.532
  122    HG3  PRO  37           3HG      PRO  37  -8.140 -12.548   7.740
  123    HD2  PRO  37           2HD      PRO  37 -10.421 -12.659   5.785
  124    HD3  PRO  37           3HD      PRO  37  -9.726 -11.255   6.628
  125    H    GLU  38           H        GLU  38  -6.160 -11.132   3.485
  126    HA   GLU  38           HA       GLU  38  -5.049 -13.338   1.833
  127    HB2  GLU  38           2HB      GLU  38  -5.141 -12.024  -0.095
  128    HB3  GLU  38           3HB      GLU  38  -6.729 -11.915   0.635
  129    HG2  GLU  38           2HG      GLU  38  -4.561  -9.790   0.937
  130    HG3  GLU  38           3HG      GLU  38  -5.766  -9.774  -0.331
  131    H    GLY  39           H        GLY  39  -4.078 -11.114   3.926
  132    HA2  GLY  39           2HA      GLY  39  -2.182 -10.671   4.844
  133    HA3  GLY  39           3HA      GLY  39  -1.653 -12.195   4.208
  134    H    CYS  40           H        CYS  40  -1.657 -11.257   1.464
  135    HA   CYS  40           HA       CYS  40  -0.163 -10.961  -0.060
  136    HG   CYS  40           HG       CYS  40  -2.355  -8.893   1.251
  137    HB2  CYS  40           2HB      CYS  40   0.230  -8.210   1.184
  138    HB3  CYS  40           3HB      CYS  40   0.432  -8.685  -0.514
  139    H    SER  41           H        SER  41   2.294  -9.412  -0.141
  140    HA   SER  41           HA       SER  41   4.059 -10.057   2.060
  141    HG   SER  41           HG       SER  41   3.440 -12.421   1.301
  142    HB2  SER  41           2HB      SER  41   4.486 -11.366  -0.649
  143    HB3  SER  41           3HB      SER  41   5.794 -11.105   0.519
  144    H    TRP  42           H        TRP  42   6.192  -8.834   1.763
  145    HA   TRP  42           HA       TRP  42   5.542  -6.369   0.620
  146    HD1  TRP  42           HD1      TRP  42  10.097  -5.310   1.561
  147    HE1  TRP  42           HE1      TRP  42  10.306  -3.004   0.491
  148    HE3  TRP  42           HE3      TRP  42   5.178  -4.522   0.221
  149    HZ2  TRP  42           HZ2      TRP  42   8.609  -1.157  -0.975
  150    HZ3  TRP  42           HZ3      TRP  42   4.558  -2.592  -1.090
  151    HH2  TRP  42           HH2      TRP  42   6.195  -0.884  -1.647
  152    HB2  TRP  42           2HB      TRP  42   7.131  -6.478   2.404
  153    HB3  TRP  42           3HB      TRP  42   8.295  -7.297   1.398
  154    H    GLN  43           H        GLN  43   7.683  -8.856  -0.803
  155    HA   GLN  43           HA       GLN  43   8.206  -7.362  -3.101
  156    HB2  GLN  43           2HB      GLN  43   8.582  -9.607  -4.249
  157    HB3  GLN  43           3HB      GLN  43   9.496  -9.385  -2.763
  158    HG2  GLN  43           2HG      GLN  43   8.305 -10.991  -1.599
  159    HG3  GLN  43           3HG      GLN  43   6.808 -10.681  -2.455
  160   HE21  GLN  43          1HE2      GLN  43   6.131 -12.437  -3.587
  161   HE22  GLN  43          2HE2      GLN  43   7.220 -13.541  -4.439
  162    H    ASP  44           H        ASP  44   5.265  -8.863  -2.318
  163    HA   ASP  44           HA       ASP  44   4.248  -9.008  -5.077
  164    HB2  ASP  44           2HB      ASP  44   3.283  -9.700  -2.290
  165    HB3  ASP  44           3HB      ASP  44   2.196  -9.564  -3.615
  166    H    LEU  45           H        LEU  45   3.687  -7.147  -2.078
  167    HA   LEU  45           HA       LEU  45   1.727  -5.403  -3.226
  168    HG   LEU  45           HG       LEU  45   1.387  -6.757  -0.774
  169    HB2  LEU  45           2HB      LEU  45   3.492  -5.473  -0.776
  170    HB3  LEU  45           3HB      LEU  45   2.613  -4.007  -1.142
  171   HD11  LEU  45          1HD1      LEU  45   2.316  -5.678   1.269
  172   HD12  LEU  45          2HD1      LEU  45   1.417  -4.199   0.915
  173   HD13  LEU  45          3HD1      LEU  45   0.541  -5.711   1.347
  174   HD21  LEU  45          3HD2      LEU  45   0.079  -4.021  -1.063
  175   HD22  LEU  45          1HD2      LEU  45  -0.071  -5.306  -2.239
  176   HD23  LEU  45          2HD2      LEU  45  -0.794  -5.505  -0.633
  177    H    LYS  46           H        LYS  46   5.238  -5.153  -2.914
  178    HA   LYS  46           HA       LYS  46   5.694  -2.528  -4.153
  179    HB2  LYS  46           2HB      LYS  46   7.466  -3.831  -3.029
  180    HB3  LYS  46           3HB      LYS  46   7.191  -5.165  -4.135
  181    HG2  LYS  46           2HG      LYS  46   7.756  -3.259  -6.002
  182    HG3  LYS  46           3HG      LYS  46   8.537  -2.517  -4.605
  183    HD2  LYS  46           2HD      LYS  46  10.190  -3.875  -5.713
  184    HD3  LYS  46           3HD      LYS  46   9.680  -4.640  -4.204
  185    HE2  LYS  46           2HE      LYS  46   9.979  -6.330  -5.980
  186    HE3  LYS  46           3HE      LYS  46   8.321  -6.278  -5.406
  187    HZ1  LYS  46           3HZ      LYS  46   7.829  -4.861  -7.396
  188    HZ2  LYS  46           1HZ      LYS  46   9.340  -5.148  -7.949
  189    HZ3  LYS  46           2HZ      LYS  46   8.263  -6.370  -7.783
  190    H    ASP  47           H        ASP  47   5.522  -5.835  -5.546
  191    HA   ASP  47           HA       ASP  47   5.697  -4.970  -8.184
  192    HB2  ASP  47           2HB      ASP  47   5.122  -7.445  -6.840
  193    HB3  ASP  47           3HB      ASP  47   3.786  -7.216  -7.894
  194    H    LEU  48           H        LEU  48   2.580  -5.597  -6.513
  195    HA   LEU  48           HA       LEU  48   1.079  -4.525  -8.632
  196    HG   LEU  48           HG       LEU  48  -1.274  -3.800  -8.193
  197    HB2  LEU  48           2HB      LEU  48  -0.062  -5.756  -7.019
  198    HB3  LEU  48           3HB      LEU  48   0.322  -4.630  -5.712
  199   HD11  LEU  48          1HD1      LEU  48  -2.541  -5.576  -7.114
  200   HD12  LEU  48          2HD1      LEU  48  -2.425  -4.704  -5.536
  201   HD13  LEU  48          3HD1      LEU  48  -3.326  -4.037  -6.891
  202   HD21  LEU  48          3HD2      LEU  48  -0.708  -1.867  -7.133
  203   HD22  LEU  48          1HD2      LEU  48  -2.251  -2.202  -6.417
  204   HD23  LEU  48          2HD2      LEU  48  -0.789  -2.603  -5.494
  205    H    ALA  49           H        ALA  49   2.428  -2.776  -5.776
  206    HA   ALA  49           HA       ALA  49   1.322  -0.293  -6.385
  207    HB1  ALA  49           1HB      ALA  49   3.784  -1.269  -4.958
  208    HB2  ALA  49           2HB      ALA  49   3.642   0.440  -5.281
  209    HB3  ALA  49           3HB      ALA  49   2.347  -0.387  -4.357
  210    H    ARG  50           H        ARG  50   4.238  -1.768  -7.812
  211    HA   ARG  50           HA       ARG  50   4.928   0.597  -9.333
  212    HE   ARG  50           HE       ARG  50   7.456   1.429  -7.788
  213    HB2  ARG  50           2HB      ARG  50   5.882  -2.106 -10.195
  214    HB3  ARG  50           3HB      ARG  50   6.674  -0.539 -10.287
  215    HG2  ARG  50           2HG      ARG  50   6.474  -2.482  -8.063
  216    HG3  ARG  50           3HG      ARG  50   7.860  -1.714  -8.636
  217    HD2  ARG  50           2HD      ARG  50   5.876  -0.140  -7.017
  218    HD3  ARG  50           3HD      ARG  50   7.103  -1.105  -6.303
  219   HH11  ARG  50          1HH1      ARG  50   9.190  -1.293  -6.417
  220   HH12  ARG  50          2HH1      ARG  50  10.721  -0.467  -6.481
  221   HH21  ARG  50          1HH2      ARG  50   9.491   2.413  -7.885
  222   HH22  ARG  50          2HH2      ARG  50  10.868   1.541  -7.274
  223    H    GLU  51           H        GLU  51   2.912  -2.219  -9.878
  224    HA   GLU  51           HA       GLU  51   2.208  -1.830 -12.641
  225    HB2  GLU  51           2HB      GLU  51   0.348  -2.849 -10.470
  226    HB3  GLU  51           3HB      GLU  51   0.030  -2.886 -12.107
  227    HG2  GLU  51           2HG      GLU  51   2.467  -4.171 -10.841
  228    HG3  GLU  51           3HG      GLU  51   1.003  -5.021 -10.849
  229    H    ASN  52           H        ASN  52   1.100  -0.371  -9.744
  230    HA   ASN  52           HA       ASN  52  -1.233   0.847 -11.016
  231    HB2  ASN  52           2HB      ASN  52  -0.243  -0.046  -8.360
  232    HB3  ASN  52           3HB      ASN  52  -1.153   1.352  -8.259
  233   HD21  ASN  52          2HD2      ASN  52  -1.147  -1.943  -9.441
  234   HD22  ASN  52          1HD2      ASN  52  -2.894  -2.152  -9.371
  235    H    SER  53           H        SER  53   1.285   2.222  -8.880
  236    HA   SER  53           HA       SER  53   1.927   4.546 -10.235
  237    HG   SER  53           HG       SER  53  -1.086   5.904  -7.897
  238    HB2  SER  53           2HB      SER  53   0.619   6.310  -9.123
  239    HB3  SER  53           3HB      SER  53  -0.430   5.321 -10.113
  240    H    LEU  54           H        LEU  54   2.094   2.644  -7.507
  241    HA   LEU  54           HA       LEU  54   2.908   4.783  -5.617
  242    HG   LEU  54           HG       LEU  54   0.389   3.249  -4.547
  243    HB2  LEU  54           2HB      LEU  54   2.174   1.930  -5.392
  244    HB3  LEU  54           3HB      LEU  54   3.309   2.514  -4.205
  245   HD11  LEU  54          1HD1      LEU  54   0.952   1.228  -3.228
  246   HD12  LEU  54          2HD1      LEU  54   2.100   2.156  -2.239
  247   HD13  LEU  54          3HD1      LEU  54   0.377   2.494  -2.142
  248   HD21  LEU  54          3HD2      LEU  54   0.922   4.783  -2.510
  249   HD22  LEU  54          1HD2      LEU  54   2.597   4.674  -3.063
  250   HD23  LEU  54          2HD2      LEU  54   1.350   5.376  -4.118
  251    H    GLU  55           H        GLU  55   4.681   4.710  -4.590
  252    HA   GLU  55           HA       GLU  55   7.108   3.286  -5.170
  253    HB2  GLU  55           2HB      GLU  55   6.816   4.686  -7.213
  254    HB3  GLU  55           3HB      GLU  55   6.912   6.149  -6.239
  255    HG2  GLU  55           2HG      GLU  55   9.154   5.807  -5.704
  256    HG3  GLU  55           3HG      GLU  55   9.070   4.066  -5.900
  257    H    THR  56           H        THR  56   6.054   3.364  -2.908
  258    HA   THR  56           HA       THR  56   6.489   5.699  -1.254
  259    HB   THR  56           HB       THR  56   5.599   4.426   0.505
  260    HG1  THR  56           1HG      THR  56   5.675   2.236   0.595
  261   HG21  THR  56          1HG2      THR  56   3.923   4.785  -1.235
  262   HG22  THR  56          2HG2      THR  56   4.266   3.169  -1.897
  263   HG23  THR  56          3HG2      THR  56   3.590   3.364  -0.279
  264    H    THR  57           H        THR  57   7.708   4.967   1.053
  265    HA   THR  57           HA       THR  57  10.540   4.612   0.464
  266    HB   THR  57           HB       THR  57   9.147   4.272   3.147
  267    HG1  THR  57           1HG      THR  57   9.127   6.397   3.386
  268   HG21  THR  57          1HG2      THR  57  11.226   5.208   4.067
  269   HG22  THR  57          2HG2      THR  57  11.522   3.703   3.188
  270   HG23  THR  57          3HG2      THR  57  11.932   5.266   2.435
  271    H    PHE  58           H        PHE  58   7.915   2.678   1.871
  272    HA   PHE  58           HA       PHE  58   9.077   0.054   1.476
  273    HD1  PHE  58           HD2      PHE  58   8.769   2.846   4.946
  274    HD2  PHE  58           HD1      PHE  58   9.155  -1.444   5.135
  275    HE1  PHE  58           HE2      PHE  58   7.840   2.849   7.260
  276    HE2  PHE  58           HE1      PHE  58   8.191  -1.437   7.418
  277    HZ   PHE  58           HZ       PHE  58   7.533   0.714   8.488
  278    HB2  PHE  58           2HB      PHE  58  10.216  -0.192   3.384
  279    HB3  PHE  58           3HB      PHE  58  10.307   1.520   3.437
  280    H    SER  59           H        SER  59   7.898  -1.564   2.837
  281    HA   SER  59           HA       SER  59   5.437  -0.674   4.164
  282    HG   SER  59           HG       SER  59   3.375  -3.208   2.566
  283    HB2  SER  59           2HB      SER  59   4.555  -1.307   2.017
  284    HB3  SER  59           3HB      SER  59   5.521  -2.764   2.029
  285    H    SER  60           H        SER  60   4.767  -2.011   5.742
  286    HA   SER  60           HA       SER  60   6.549  -4.225   6.653
  287    HG   SER  60           HG       SER  60   3.354  -3.126   7.697
  288    HB2  SER  60           2HB      SER  60   5.289  -4.017   8.722
  289    HB3  SER  60           3HB      SER  60   6.037  -2.447   8.209
  290    H    VAL  61           H        VAL  61   5.912  -6.266   6.142
  291    HA   VAL  61           HA       VAL  61   3.037  -6.839   5.854
  292    HB   VAL  61           HB       VAL  61   4.937  -7.945   3.770
  293   HG11  VAL  61          1HG1      VAL  61   1.955  -7.287   3.715
  294   HG12  VAL  61          2HG1      VAL  61   2.857  -7.874   2.344
  295   HG13  VAL  61          3HG1      VAL  61   2.651  -8.915   3.740
  296   HG21  VAL  61          3HG2      VAL  61   4.273  -6.137   2.210
  297   HG22  VAL  61          1HG2      VAL  61   3.509  -5.281   3.541
  298   HG23  VAL  61          2HG2      VAL  61   5.268  -5.526   3.521
  299    H    ASN  62           H        ASN  62   2.691  -9.280   5.484
  300    HA   ASN  62           HA       ASN  62   2.775 -11.421   6.090
  301    HB2  ASN  62           2HB      ASN  62   5.757 -10.862   6.083
  302    HB3  ASN  62           3HB      ASN  62   5.134 -12.418   6.600
  303   HD21  ASN  62          1HD2      ASN  62   6.260 -10.780   3.862
  304   HD22  ASN  62          2HD2      ASN  62   5.448 -11.861   2.716
  305    H    THR  63           H        THR  63   3.460  -9.108   8.432
  306    HA   THR  63           HA       THR  63   2.049 -10.678  10.399
  307    HB   THR  63           HB       THR  63   4.356 -11.501  10.803
  308    HG1  THR  63           1HG      THR  63   4.279 -11.132  12.993
  309   HG21  THR  63          1HG2      THR  63   5.030  -8.649  11.646
  310   HG22  THR  63          2HG2      THR  63   6.061 -10.086  11.794
  311   HG23  THR  63          3HG2      THR  63   5.653  -9.459  10.189
  312    H    ARG  64           H        ARG  64   1.528  -9.393  12.241
  313    HA   ARG  64           HA       ARG  64   1.611  -7.401  13.569
  314    HE   ARG  64           HE       ARG  64  -0.540  -4.358   8.778
  315    HB2  ARG  64           2HB      ARG  64   1.518  -5.193  12.791
  316    HB3  ARG  64           3HB      ARG  64   2.687  -5.943  11.734
  317    HG2  ARG  64           2HG      ARG  64   0.622  -6.329  10.117
  318    HG3  ARG  64           3HG      ARG  64  -0.235  -5.260  11.226
  319    HD2  ARG  64           2HD      ARG  64   1.645  -3.555  10.695
  320    HD3  ARG  64           3HD      ARG  64   1.933  -4.583   9.274
  321   HH11  ARG  64          2HH2      ARG  64   0.998  -1.661  10.400
  322   HH12  ARG  64          1HH2      ARG  64  -0.491  -0.735  10.458
  323   HH21  ARG  64          2HH1      ARG  64  -2.449  -3.269   9.308
  324   HH22  ARG  64          1HH1      ARG  64  -2.310  -1.549   9.669
  325    H    ASP  65           H        ASP  65  -0.613  -8.529  11.220
  326    HA   ASP  65           HA       ASP  65  -2.918  -7.107  12.506
  327    HB2  ASP  65           2HB      ASP  65  -1.723  -6.624  10.069
  328    HB3  ASP  65           3HB      ASP  65  -2.946  -7.768   9.607
  329    H    PHE  66           H        PHE  66  -4.947  -7.953  11.073
  330    HA   PHE  66           HA       PHE  66  -6.100 -10.142  12.176
  331    HD1  PHE  66           HD2      PHE  66  -4.685  -8.949   8.757
  332    HD2  PHE  66           HD1      PHE  66  -8.972  -9.235   8.587
  333    HE1  PHE  66           HE2      PHE  66  -4.559  -9.227   6.319
  334    HE2  PHE  66           HE1      PHE  66  -8.834  -9.310   6.112
  335    HZ   PHE  66           HZ       PHE  66  -6.584  -9.573   5.000
  336    HB2  PHE  66           2HB      PHE  66  -7.818  -9.796  10.658
  337    HB3  PHE  66           3HB      PHE  66  -7.044  -8.230  10.783
  338    H    ASP  67           H        ASP  67  -3.787 -10.427   9.654
  339    HA   ASP  67           HA       ASP  67  -3.463 -13.210   9.919
  340    HB2  ASP  67           2HB      ASP  67  -4.550 -14.188   8.247
  341    HB3  ASP  67           3HB      ASP  67  -5.512 -12.735   8.093
  342    H    GLY  68           H        GLY  68  -2.946 -10.393   7.782
  343    HA2  GLY  68           2HA      GLY  68  -0.120 -10.339   8.489
  344    HA3  GLY  68           3HA      GLY  68  -0.395 -10.713   6.781
  345    H    THR  69           H        THR  69  -1.999  -9.128   5.702
  346    HA   THR  69           HA       THR  69  -2.295  -7.167   4.699
  347    HB   THR  69           HB       THR  69  -2.810  -5.150   5.708
  348    HG1  THR  69           1HG      THR  69  -2.558  -5.206   8.183
  349   HG21  THR  69          1HG2      THR  69  -4.497  -6.818   6.068
  350   HG22  THR  69          2HG2      THR  69  -3.740  -7.266   7.609
  351   HG23  THR  69          3HG2      THR  69  -4.444  -5.657   7.401
  352    H    GLY  70           H        GLY  70  -1.337  -5.186   3.993
  353    HA2  GLY  70           2HA      GLY  70   1.605  -4.991   4.550
  354    HA3  GLY  70           3HA      GLY  70   0.831  -4.416   3.073
  355    H    ALA  71           H        ALA  71   2.356  -2.930   5.120
  356    HA   ALA  71           HA       ALA  71   0.402  -0.757   4.987
  357    HB1  ALA  71           1HB      ALA  71   0.013  -1.521   7.229
  358    HB2  ALA  71           2HB      ALA  71   1.747  -1.553   7.605
  359    HB3  ALA  71           3HB      ALA  71   0.919  -0.009   7.351
  360    H    LEU  72           H        LEU  72   1.290   0.848   3.941
  361    HA   LEU  72           HA       LEU  72   4.206   0.735   3.399
  362    HG   LEU  72           HG       LEU  72   2.049   1.064   0.118
  363    HB2  LEU  72           2HB      LEU  72   1.934   2.217   2.066
  364    HB3  LEU  72           3HB      LEU  72   3.538   2.351   1.614
  365   HD11  LEU  72          1HD1      LEU  72   4.828   0.360   0.894
  366   HD12  LEU  72          2HD1      LEU  72   3.936  -0.740  -0.182
  367   HD13  LEU  72          3HD1      LEU  72   4.142   0.945  -0.616
  368   HD21  LEU  72          3HD2      LEU  72   2.389  -1.167   2.106
  369   HD22  LEU  72          1HD2      LEU  72   0.917  -0.295   1.728
  370   HD23  LEU  72          2HD2      LEU  72   1.698  -1.291   0.478
  371    H    GLU  73           H        GLU  73   5.392   2.736   3.394
  372    HA   GLU  73           HA       GLU  73   4.106   5.138   4.785
  373    HB2  GLU  73           2HB      GLU  73   5.407   3.954   6.403
  374    HB3  GLU  73           3HB      GLU  73   6.768   3.824   5.316
  375    HG2  GLU  73           2HG      GLU  73   5.976   6.625   5.971
  376    HG3  GLU  73           3HG      GLU  73   6.510   5.656   7.325
  377    H    PHE  74           H        PHE  74   4.729   7.209   4.132
  378    HA   PHE  74           HA       PHE  74   7.172   7.522   2.595
  379    HD1  PHE  74           HD2      PHE  74   7.750   6.895   0.535
  380    HD2  PHE  74           HD1      PHE  74   5.637  10.551  -0.099
  381    HE1  PHE  74           HE2      PHE  74   9.507   7.598  -1.070
  382    HE2  PHE  74           HE1      PHE  74   7.421  11.324  -1.634
  383    HZ   PHE  74           HZ       PHE  74   9.353   9.841  -2.146
  384    HB2  PHE  74           2HB      PHE  74   4.868   7.424   1.004
  385    HB3  PHE  74           3HB      PHE  74   4.898   9.077   1.486
  386    HA   PRO  75           HA       PRO  75   7.196  11.501   4.698
  387    HB2  PRO  75           2HB      PRO  75   8.771  12.450   2.310
  388    HB3  PRO  75           3HB      PRO  75   9.107  12.693   4.054
  389    HG2  PRO  75           2HG      PRO  75  10.461  10.810   2.673
  390    HG3  PRO  75           3HG      PRO  75   9.806  10.411   4.303
  391    HD2  PRO  75           2HD      PRO  75   8.598   9.817   1.589
  392    HD3  PRO  75           3HD      PRO  75   8.844   8.713   2.978
  393    H    SER  76           H        SER  76   5.447  11.135   1.738
  394    HA   SER  76           HA       SER  76   4.395  13.955   1.815
  395    HG   SER  76           HG       SER  76   7.001  13.829  -0.762
  396    HB2  SER  76           2HB      SER  76   4.986  12.544  -0.715
  397    HB3  SER  76           3HB      SER  76   4.841  14.272  -0.401
  398    H    GLU  77           H        GLU  77   2.305  13.899   2.089
  399    HA   GLU  77           HA       GLU  77   0.740  11.587   1.888
  400    HB2  GLU  77           2HB      GLU  77  -1.248  13.062   2.122
  401    HB3  GLU  77           3HB      GLU  77  -0.001  13.266   3.313
  402    HG2  GLU  77           2HG      GLU  77   0.811  15.259   1.773
  403    HG3  GLU  77           3HG      GLU  77  -0.807  15.129   1.069
  404    H    GLU  78           H        GLU  78   1.634  13.700  -0.704
  405    HA   GLU  78           HA       GLU  78  -0.388  13.224  -2.615
  406    HB2  GLU  78           2HB      GLU  78   2.609  13.118  -3.148
  407    HB3  GLU  78           3HB      GLU  78   1.321  13.496  -4.284
  408    HG2  GLU  78           2HG      GLU  78   1.840  15.654  -3.822
  409    HG3  GLU  78           3HG      GLU  78   0.828  15.408  -2.391
  410    H    ILE  79           H        ILE  79   2.198  11.014  -1.589
  411    HA   ILE  79           HA       ILE  79   1.489   8.908  -3.463
  412    HB   ILE  79           HB       ILE  79   3.216   8.848  -0.954
  413   HG12  ILE  79          2HG1      ILE  79   3.699  10.024  -3.594
  414   HG13  ILE  79          3HG1      ILE  79   4.399  10.396  -2.079
  415   HG21  ILE  79          1HG2      ILE  79   4.285   6.884  -1.919
  416   HG22  ILE  79          2HG2      ILE  79   2.559   6.606  -1.767
  417   HG23  ILE  79          3HG2      ILE  79   3.242   6.993  -3.364
  418   HD11  ILE  79          3HD1      ILE  79   5.193   8.207  -4.065
  419   HD12  ILE  79          1HD1      ILE  79   6.106   9.657  -3.644
  420   HD13  ILE  79          2HD1      ILE  79   5.931   8.344  -2.464
  421    H    LEU  80           H        LEU  80   0.776   9.575  -0.057
  422    HA   LEU  80           HA       LEU  80  -0.538   7.193   0.659
  423    HG   LEU  80           HG       LEU  80  -2.918   9.662   1.875
  424    HB2  LEU  80           2HB      LEU  80  -0.112   8.564   2.428
  425    HB3  LEU  80           3HB      LEU  80  -0.476  10.019   1.581
  426   HD11  LEU  80          1HD1      LEU  80  -3.680   8.124   3.596
  427   HD12  LEU  80          2HD1      LEU  80  -2.896   7.229   2.282
  428   HD13  LEU  80          3HD1      LEU  80  -2.031   7.519   3.824
  429   HD21  LEU  80          3HD2      LEU  80  -2.947  10.278   4.235
  430   HD22  LEU  80          1HD2      LEU  80  -1.266   9.739   4.413
  431   HD23  LEU  80          2HD2      LEU  80  -1.654  11.129   3.380
  432    H    VAL  81           H        VAL  81  -1.770  10.253  -0.667
  433    HA   VAL  81           HA       VAL  81  -4.571   9.504  -0.724
  434    HB   VAL  81           HB       VAL  81  -2.975  11.823  -1.922
  435   HG11  VAL  81          1HG1      VAL  81  -6.008  11.496  -1.871
  436   HG12  VAL  81          2HG1      VAL  81  -5.151  13.007  -2.246
  437   HG13  VAL  81          3HG1      VAL  81  -4.978  11.616  -3.314
  438   HG21  VAL  81          3HG2      VAL  81  -4.954  11.738   0.396
  439   HG22  VAL  81          1HG2      VAL  81  -3.189  11.778   0.562
  440   HG23  VAL  81          2HG2      VAL  81  -4.025  13.156  -0.156
  441    H    GLU  82           H        GLU  82  -1.944   9.527  -3.099
  442    HA   GLU  82           HA       GLU  82  -3.342   8.764  -5.364
  443    HB2  GLU  82           2HB      GLU  82  -0.666   8.635  -4.107
  444    HB3  GLU  82           3HB      GLU  82  -0.952   7.271  -5.016
  445    HG2  GLU  82           2HG      GLU  82  -1.150  10.168  -5.860
  446    HG3  GLU  82           3HG      GLU  82   0.208   9.100  -6.226
  447    H    ALA  83           H        ALA  83  -1.688   6.442  -3.097
  448    HA   ALA  83           HA       ALA  83  -3.077   4.148  -4.081
  449    HB1  ALA  83           1HB      ALA  83  -2.423   3.052  -1.999
  450    HB2  ALA  83           2HB      ALA  83  -1.132   4.007  -2.744
  451    HB3  ALA  83           3HB      ALA  83  -1.977   4.641  -1.307
  452    H    LEU  84           H        LEU  84  -4.255   6.397  -1.635
  453    HA   LEU  84           HA       LEU  84  -6.561   4.801  -0.763
  454    HG   LEU  84           HG       LEU  84  -4.755   7.505   0.928
  455    HB2  LEU  84           2HB      LEU  84  -6.298   7.833  -0.686
  456    HB3  LEU  84           3HB      LEU  84  -7.523   6.892   0.054
  457   HD11  LEU  84          1HD1      LEU  84  -5.870   7.673   3.074
  458   HD12  LEU  84          2HD1      LEU  84  -6.722   8.600   1.827
  459   HD13  LEU  84          3HD1      LEU  84  -7.369   7.029   2.368
  460   HD21  LEU  84          3HD2      LEU  84  -4.496   5.143   0.875
  461   HD22  LEU  84          1HD2      LEU  84  -4.889   5.584   2.561
  462   HD23  LEU  84          2HD2      LEU  84  -6.147   4.894   1.448
  463    H    GLU  85           H        GLU  85  -6.019   7.032  -3.438
  464    HA   GLU  85           HA       GLU  85  -8.813   6.634  -4.236
  465    HB2  GLU  85           2HB      GLU  85  -6.557   8.340  -5.376
  466    HB3  GLU  85           3HB      GLU  85  -8.176   8.262  -6.083
  467    HG2  GLU  85           2HG      GLU  85  -9.177   9.180  -4.070
  468    HG3  GLU  85           3HG      GLU  85  -7.616   9.219  -3.255
  469    H    ARG  86           H        ARG  86  -5.813   5.020  -4.860
  470    HA   ARG  86           HA       ARG  86  -6.520   4.330  -7.677
  471    HE   ARG  86           HE       ARG  86  -3.556   8.133  -8.843
  472    HB2  ARG  86           2HB      ARG  86  -4.021   4.948  -6.139
  473    HB3  ARG  86           3HB      ARG  86  -3.848   3.682  -7.146
  474    HG2  ARG  86           2HG      ARG  86  -3.186   5.620  -8.346
  475    HG3  ARG  86           3HG      ARG  86  -4.717   5.143  -9.104
  476    HD2  ARG  86           2HD      ARG  86  -5.970   6.746  -7.759
  477    HD3  ARG  86           3HD      ARG  86  -4.521   7.123  -6.809
  478   HH11  ARG  86          2HH2      ARG  86  -6.974   8.395  -8.138
  479   HH12  ARG  86          1HH2      ARG  86  -6.806  10.050  -7.617
  480   HH21  ARG  86          1HH1      ARG  86  -3.508  10.269  -8.530
  481   HH22  ARG  86          2HH1      ARG  86  -5.000  11.177  -8.269
  482    H    LEU  87           H        LEU  87  -5.751   2.921  -4.528
  483    HA   LEU  87           HA       LEU  87  -6.026   0.210  -5.633
  484    HG   LEU  87           HG       LEU  87  -3.718  -0.334  -5.755
  485    HB2  LEU  87           2HB      LEU  87  -4.286   1.412  -3.442
  486    HB3  LEU  87           3HB      LEU  87  -4.679  -0.247  -3.499
  487   HD11  LEU  87          1HD1      LEU  87  -2.002   1.464  -6.278
  488   HD12  LEU  87          2HD1      LEU  87  -3.698   1.508  -6.788
  489   HD13  LEU  87          3HD1      LEU  87  -3.134   2.482  -5.376
  490   HD21  LEU  87          3HD2      LEU  87  -1.847   0.617  -3.558
  491   HD22  LEU  87          1HD2      LEU  87  -2.395  -1.061  -3.824
  492   HD23  LEU  87          2HD2      LEU  87  -1.340  -0.284  -5.008
  493    H    ASN  88           H        ASN  88  -7.983   2.362  -3.971
  494    HA   ASN  88           HA       ASN  88  -8.578   0.654  -1.754
  495    HB2  ASN  88           2HB      ASN  88  -8.947   3.079  -1.677
  496    HB3  ASN  88           3HB      ASN  88 -10.336   2.890  -2.768
  497   HD21  ASN  88          1HD2      ASN  88 -11.913   3.464  -1.189
  498   HD22  ASN  88          2HD2      ASN  88 -12.210   2.492   0.238
  499    H    ASN  89           H        ASN  89  -9.240  -1.254  -1.963
  500    HA   ASN  89           HA       ASN  89 -10.404  -3.078  -2.227
  501    HB2  ASN  89           2HB      ASN  89 -12.281  -1.537  -1.446
  502    HB3  ASN  89           3HB      ASN  89 -12.868  -1.587  -3.115
  503   HD21  ASN  89          1HD2      ASN  89 -11.815  -3.669  -0.363
  504   HD22  ASN  89          2HD2      ASN  89 -12.939  -4.968  -0.732
  505    H    ILE  90           H        ILE  90  -8.699  -2.228  -4.224
  506    HA   ILE  90           HA       ILE  90  -9.834  -3.131  -6.801
  507    HB   ILE  90           HB       ILE  90  -7.598  -2.694  -7.753
  508   HG12  ILE  90          2HG1      ILE  90  -6.425  -1.894  -5.136
  509   HG13  ILE  90          3HG1      ILE  90  -6.318  -3.536  -5.685
  510   HG21  ILE  90          1HG2      ILE  90  -8.427  -0.414  -5.940
  511   HG22  ILE  90          2HG2      ILE  90  -7.505  -0.320  -7.459
  512   HG23  ILE  90          3HG2      ILE  90  -9.189  -0.841  -7.474
  513   HD11  ILE  90          3HD1      ILE  90  -5.233  -2.976  -7.701
  514   HD12  ILE  90          1HD1      ILE  90  -5.339  -1.225  -7.343
  515   HD13  ILE  90          2HD1      ILE  90  -4.398  -2.315  -6.296
  516    H    GLU  91           H        GLU  91  -9.366  -4.920  -7.908
  517    HA   GLU  91           HA       GLU  91  -8.443  -7.201  -6.349
  518    HB2  GLU  91           2HB      GLU  91 -10.277  -7.323  -8.011
  519    HB3  GLU  91           3HB      GLU  91  -9.074  -7.093  -9.273
  520    HG2  GLU  91           2HG      GLU  91  -8.331  -9.225  -7.336
  521    HG3  GLU  91           3HG      GLU  91  -9.890  -9.498  -8.074
  522    H    PHE  92           H        PHE  92  -6.622  -7.804  -6.126
  523    HA   PHE  92           HA       PHE  92  -4.229  -6.904  -7.588
  524    HD1  PHE  92           HD1      PHE  92  -2.012  -7.856  -7.100
  525    HD2  PHE  92           HD2      PHE  92  -3.158  -7.118  -2.999
  526    HE1  PHE  92           HE1      PHE  92   0.329  -8.147  -6.400
  527    HE2  PHE  92           HE2      PHE  92  -0.798  -7.438  -2.309
  528    HZ   PHE  92           HZ       PHE  92   0.937  -7.838  -4.033
  529    HB2  PHE  92           2HB      PHE  92  -4.786  -6.514  -5.039
  530    HB3  PHE  92           3HB      PHE  92  -4.602  -8.093  -4.822
  531    H    ARG  93           H        ARG  93  -4.007  -8.516  -9.179
  532    HA   ARG  93           HA       ARG  93  -3.793 -10.535 -10.193
  533    HE   ARG  93           HE       ARG  93   2.134  -9.396  -9.174
  534    HB2  ARG  93           2HB      ARG  93  -1.859 -11.015  -7.890
  535    HB3  ARG  93           3HB      ARG  93  -1.841 -11.816  -9.463
  536    HG2  ARG  93           2HG      ARG  93  -1.485  -9.512 -10.512
  537    HG3  ARG  93           3HG      ARG  93  -1.147  -8.927  -8.866
  538    HD2  ARG  93           2HD      ARG  93   0.512 -10.888  -8.677
  539    HD3  ARG  93           3HD      ARG  93   0.333 -11.097 -10.418
  540   HH11  ARG  93          1HH1      ARG  93  -0.262  -8.745 -11.710
  541   HH12  ARG  93          2HH1      ARG  93   0.814  -7.519 -12.389
  542   HH21  ARG  93          1HH2      ARG  93   3.432  -7.989 -10.392
  543   HH22  ARG  93          2HH2      ARG  93   2.624  -7.127 -11.697
  544    H    GLY  94           H        GLY  94  -6.068 -10.667  -8.425
  545    HA2  GLY  94           2HA      GLY  94  -7.530 -12.592  -8.342
  546    HA3  GLY  94           3HA      GLY  94  -6.199 -13.607  -7.833
  547    H    SER  95           H        SER  95  -6.244 -10.603  -5.960
  548    HA   SER  95           HA       SER  95  -8.310 -11.552  -4.047
  549    HG   SER  95           HG       SER  95  -6.357 -13.197  -3.747
  550    HB2  SER  95           2HB      SER  95  -5.373 -10.939  -3.432
  551    HB3  SER  95           3HB      SER  95  -6.647 -10.835  -2.225
  552    H    VAL  96           H        VAL  96  -9.347  -9.649  -3.254
  553    HA   VAL  96           HA       VAL  96  -8.342  -7.148  -4.378
  554    HB   VAL  96           HB       VAL  96 -10.233  -6.054  -4.151
  555   HG11  VAL  96          1HG1      VAL  96 -11.339  -8.872  -4.308
  556   HG12  VAL  96          2HG1      VAL  96 -12.051  -7.391  -4.979
  557   HG13  VAL  96          3HG1      VAL  96 -10.541  -8.031  -5.651
  558   HG21  VAL  96          3HG2      VAL  96 -12.089  -6.378  -2.772
  559   HG22  VAL  96          1HG2      VAL  96 -11.363  -7.831  -2.034
  560   HG23  VAL  96          2HG2      VAL  96 -10.635  -6.205  -1.790
  561    H    ILE  97           H        ILE  97  -8.048  -5.176  -3.107
  562    HA   ILE  97           HA       ILE  97  -7.530  -5.534  -0.191
  563    HB   ILE  97           HB       ILE  97  -5.571  -3.880  -0.629
  564   HG12  ILE  97          2HG1      ILE  97  -5.478  -5.415  -3.242
  565   HG13  ILE  97          3HG1      ILE  97  -6.062  -3.757  -3.129
  566   HG21  ILE  97          1HG2      ILE  97  -3.987  -5.688  -0.546
  567   HG22  ILE  97          2HG2      ILE  97  -5.403  -6.106   0.408
  568   HG23  ILE  97          3HG2      ILE  97  -5.190  -6.839  -1.199
  569   HD11  ILE  97          3HD1      ILE  97  -3.924  -3.021  -2.142
  570   HD12  ILE  97          1HD1      ILE  97  -3.245  -4.641  -2.443
  571   HD13  ILE  97          2HD1      ILE  97  -3.773  -3.631  -3.808
  572    H    THR  98           H        THR  98  -8.514  -4.106   0.899
  573    HA   THR  98           HA       THR  98  -9.567  -1.502  -0.095
  574    HB   THR  98           HB       THR  98  -9.517  -2.673   2.690
  575    HG1  THR  98           1HG      THR  98 -11.675  -3.316   2.213
  576   HG21  THR  98          1HG2      THR  98 -11.406  -0.637   1.463
  577   HG22  THR  98          2HG2      THR  98 -11.428  -1.233   3.136
  578   HG23  THR  98          3HG2      THR  98 -10.067  -0.251   2.575
  579    H    VAL  99           H        VAL  99  -8.576   0.448   0.638
  580    HA   VAL  99           HA       VAL  99  -6.103   0.142   2.213
  581    HB   VAL  99           HB       VAL  99  -4.657   1.328   0.803
  582   HG11  VAL  99          1HG1      VAL  99  -4.418  -0.181  -1.087
  583   HG12  VAL  99          2HG1      VAL  99  -4.826  -1.062   0.381
  584   HG13  VAL  99          3HG1      VAL  99  -6.057  -0.798  -0.863
  585   HG21  VAL  99          3HG2      VAL  99  -7.112   1.789  -0.829
  586   HG22  VAL  99          1HG2      VAL  99  -5.872   2.926  -0.277
  587   HG23  VAL  99          2HG2      VAL  99  -5.509   1.802  -1.598
  588    H    GLU 100           H        GLU 100  -5.590   1.740   3.456
  589    HA   GLU 100           HA       GLU 100  -6.845   4.452   3.361
  590    HB2  GLU 100           2HB      GLU 100  -8.130   4.176   5.406
  591    HB3  GLU 100           3HB      GLU 100  -8.757   3.052   4.232
  592    HG2  GLU 100           2HG      GLU 100  -6.655   1.928   6.058
  593    HG3  GLU 100           3HG      GLU 100  -8.113   2.486   6.847
  594    H    ARG 101           H        ARG 101  -6.397   5.639   5.453
  595    HA   ARG 101           HA       ARG 101  -3.567   5.295   6.047
  596    HE   ARG 101           HE       ARG 101  -7.858   8.722   8.583
  597    HB2  ARG 101           2HB      ARG 101  -3.744   7.202   7.347
  598    HB3  ARG 101           3HB      ARG 101  -4.534   7.518   5.876
  599    HG2  ARG 101           2HG      ARG 101  -6.707   6.709   7.368
  600    HG3  ARG 101           3HG      ARG 101  -5.639   7.333   8.639
  601    HD2  ARG 101           2HD      ARG 101  -5.370   9.401   7.156
  602    HD3  ARG 101           3HD      ARG 101  -6.666   8.773   6.147
  603   HH11  ARG 101          2HH2      ARG 101  -6.073  11.350   7.075
  604   HH12  ARG 101          1HH2      ARG 101  -7.127  12.561   7.764
  605   HH21  ARG 101          1HH1      ARG 101  -9.108  10.324   9.463
  606   HH22  ARG 101          2HH1      ARG 101  -8.776  11.992   9.104
  607    H    ASP 102           H        ASP 102  -2.695   4.156   7.429
  608    HA   ASP 102           HA       ASP 102  -3.980   2.781   9.723
  609    HB2  ASP 102           2HB      ASP 102  -2.111   1.870   8.035
  610    HB3  ASP 102           3HB      ASP 102  -1.041   2.790   8.987
  611    H    ASP 103           H        ASP 103  -1.781   5.373   8.792
  612    HA   ASP 103           HA       ASP 103  -2.506   7.065  10.994
  613    HB2  ASP 103           2HB      ASP 103  -0.529   5.710  11.908
  614    HB3  ASP 103           3HB      ASP 103   0.453   6.433  10.632
  615    H    ASN 104           H        ASN 104  -1.788   9.275  10.567
  616    HA   ASN 104           HA       ASN 104  -1.235   9.930   7.698
  617    HB2  ASN 104           2HB      ASN 104  -3.645   9.849   8.513
  618    HB3  ASN 104           3HB      ASN 104  -3.270  11.172   9.603
  619   HD21  ASN 104          2HD2      ASN 104  -2.301  13.125   8.429
  620   HD22  ASN 104          1HD2      ASN 104  -3.300  13.632   7.030