*HEADER    TRANSCRIPTION                           02-SEP-13   2MD8              
*TITLE     NMR STRUCTURE OF SP140 PHD FINGER CIS CONFORMER                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NUCLEAR BODY PROTEIN SP140;                                
*COMPND   3 CHAIN: C;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 687-738;                                      
*COMPND   5 SYNONYM: LYMPHOID-RESTRICTED HOMOLOG OF SP100, LYSP100, NUCLEAR      
*COMPND   6 AUTOANTIGEN SP-140, SPECKLED 140 KDA;                                
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PETM11                                    
*KEYWDS    PHD FINGER, TRANSCRIPTION                                             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    C.ZUCCHELLI, G.QUILICI, G.MUSCO                                       
*REVDAT   1   13-NOV-13 2MD8    0                                                


assign (segid "   C" and resid   30 and name  HB1) (segid "   C" and resid   30 and name  HD1) 3.054 1.166 1.166 weight 1.000 ! spec=13C_...P_FI, no=4, id=365, vol=1.815325e+08
    or (segid "   C" and resid   30 and name  HB1) (segid "   C" and resid   30 and name  HD2)
assign (segid "   C" and resid   30 and name   HZ) (segid "   C" and resid   30 and name  HD1) 2.696 0.908 3.304 weight 1.000 ! spec=13C_...P_FI, no=8, id=366, vol=5.549114e+08
    or (segid "   C" and resid   30 and name   HZ) (segid "   C" and resid   30 and name  HD2)
assign (segid "   C" and resid   29 and name   HB) (segid "   C" and resid   30 and name  HE1) 3.676 1.689 1.689 weight 1.000 ! spec=13C_...P_FI, no=35, id=367, vol=5.772635e+07
    or (segid "   C" and resid   29 and name   HB) (segid "   C" and resid   30 and name  HE2)
assign (segid "   C" and resid   29 and name HG12) (segid "   C" and resid   30 and name  HE1) 4.173 2.177 2.177 weight 1.000 ! spec=13C_...P_FI, no=36, id=368, vol=4.792880e+07
    or (segid "   C" and resid   29 and name HG12) (segid "   C" and resid   30 and name  HE2)
    or (segid "   C" and resid   29 and name HG11) (segid "   C" and resid   30 and name  HE1)
    or (segid "   C" and resid   29 and name HG11) (segid "   C" and resid   30 and name  HE2)
    or (segid "   C" and resid   29 and name HG13) (segid "   C" and resid   30 and name  HE1)
    or (segid "   C" and resid   29 and name HG13) (segid "   C" and resid   30 and name  HE2)
assign (segid "   C" and resid   29 and name HG22) (segid "   C" and resid   30 and name  HE1) 3.575 1.598 1.598 weight 1.000 ! spec=13C_...P_FI, no=37, id=369, vol=7.404332e+07
    or (segid "   C" and resid   29 and name HG22) (segid "   C" and resid   30 and name  HE2)
    or (segid "   C" and resid   29 and name HG21) (segid "   C" and resid   30 and name  HE1)
    or (segid "   C" and resid   29 and name HG21) (segid "   C" and resid   30 and name  HE2)
    or (segid "   C" and resid   29 and name HG23) (segid "   C" and resid   30 and name  HE1)
    or (segid "   C" and resid   29 and name HG23) (segid "   C" and resid   30 and name  HE2)
assign (segid "   C" and resid   35 and name  HB1) (segid "   C" and resid   35 and name  HD2) 2.748 0.944 0.944 weight 1.000 ! spec=13C_...P_FI, no=152, id=370, vol=1.460270e+08
assign (segid "   C" and resid   35 and name  HB2) (segid "   C" and resid   35 and name  HD2) 3.934 1.934 1.934 weight 1.000 ! spec=13C_...P_FI, no=221, id=371, vol=6.705326e+07
assign (segid "   C" and resid   20 and name HD12) (segid "   C" and resid   35 and name  HE1) 3.138 1.231 1.231 weight 1.000 ! spec=13C_...P_FI, no=255, id=375, vol=8.461852e+07
    or (segid "   C" and resid   20 and name HD11) (segid "   C" and resid   35 and name  HE1)
    or (segid "   C" and resid   20 and name HD13) (segid "   C" and resid   35 and name  HE1)
assign (segid "   C" and resid   13 and name HG22) (segid "   C" and resid   35 and name  HE1) 3.278 1.343 1.343 weight 1.000 ! spec=13C_...P_FI, no=256, id=376, vol=1.158022e+08
    or (segid "   C" and resid   13 and name HG21) (segid "   C" and resid   35 and name  HE1)
    or (segid "   C" and resid   13 and name HG23) (segid "   C" and resid   35 and name  HE1)
assign (segid "   C" and resid   31 and name  HB1) (segid "   C" and resid   31 and name  HD2) 2.811 0.987 0.987 weight 1.000 ! spec=13C_...P_FI, no=271, id=377, vol=1.238651e+08
assign (segid "   C" and resid   31 and name  HD2) (segid "   C" and resid   35 and name  HD2) 2.890 1.044 3.110 weight 1.000 ! spec=13C_...P_FI, no=276, id=379, vol=1.652287e+08
assign (segid "   C" and resid   29 and name   HB) (segid "   C" and resid   30 and name  HD1) 3.649 1.664 1.664 weight 1.000 ! spec=13C_...P_FI, no=287, id=384, vol=5.957147e+07
    or (segid "   C" and resid   29 and name   HB) (segid "   C" and resid   30 and name  HD2)
assign (segid "   C" and resid   29 and name   HA) (segid "   C" and resid   30 and name  HD1) 3.939 1.940 1.940 weight 1.000 ! spec=13C_...P_FI, no=290, id=385, vol=6.152654e+07
    or (segid "   C" and resid   29 and name   HA) (segid "   C" and resid   30 and name  HD2)
assign (segid "   C" and resid   30 and name  HB2) (segid "   C" and resid   30 and name  HD1) 2.995 1.121 1.121 weight 1.000 ! spec=13C_...P_FI, no=300, id=386, vol=2.024146e+08
    or (segid "   C" and resid   30 and name  HB2) (segid "   C" and resid   30 and name  HD2)
assign (segid "   C" and resid   30 and name  HD1) (segid "   C" and resid   30 and name  HE1) 3.028 1.146 1.146 weight 1.000 ! spec=13C_...P_FI, no=302, id=387, vol=3.954128e+08
    or (segid "   C" and resid   30 and name  HD1) (segid "   C" and resid   30 and name  HE2)
    or (segid "   C" and resid   30 and name  HD2) (segid "   C" and resid   30 and name  HE1)
    or (segid "   C" and resid   30 and name  HD2) (segid "   C" and resid   30 and name  HE2)
assign (segid "   C" and resid   29 and name HG22) (segid "   C" and resid   30 and name   HZ) 3.609 1.628 1.628 weight 1.000 ! spec=13C_...P_FI, no=305, id=388, vol=4.035545e+07
    or (segid "   C" and resid   29 and name HG21) (segid "   C" and resid   30 and name   HZ)
    or (segid "   C" and resid   29 and name HG23) (segid "   C" and resid   30 and name   HZ)
assign (segid "   C" and resid   30 and name  HB1) (segid "   C" and resid   30 and name  HE1) 3.819 1.823 1.823 weight 1.000 ! spec=13C_...P_FI, no=331, id=389, vol=6.500321e+07
    or (segid "   C" and resid   30 and name  HB1) (segid "   C" and resid   30 and name  HE2)
assign (segid "   C" and resid   20 and name HD12) (segid "   C" and resid   31 and name  HE1) 2.468 0.761 0.761 weight 1.000 ! spec=13C_...P_FI, no=360, id=390, vol=3.010204e+08
    or (segid "   C" and resid   20 and name HD11) (segid "   C" and resid   31 and name  HE1)
    or (segid "   C" and resid   20 and name HD13) (segid "   C" and resid   31 and name  HE1)
assign (segid "   C" and resid   48 and name  HB1) (segid "   C" and resid   46 and name  HH2) 3.810 1.814 1.814 weight 1.000 ! spec=13C_...P_FI, no=381, id=396, vol=3.163613e+07
assign (segid "   C" and resid   46 and name   HA) (segid "   C" and resid   46 and name  HE3) 4.720 2.784 2.784 weight 1.000 ! spec=13C_...P_FI, no=402, id=400, vol=4.045377e+07
assign (segid "   C" and resid   46 and name  HB1) (segid "   C" and resid   46 and name  HE3) 4.723 2.788 2.788 weight 1.000 ! spec=13C_...P_FI, no=403, id=401, vol=4.518861e+07
assign (segid "   C" and resid   50 and name  HB2) (segid "   C" and resid   50 and name  HD1) 3.085 1.189 1.189 weight 1.000 ! spec=13C_...P_FI, no=414, id=403, vol=1.796427e+08
    or (segid "   C" and resid   50 and name  HB2) (segid "   C" and resid   50 and name  HD2)
assign (segid "   C" and resid   50 and name   HA) (segid "   C" and resid   50 and name  HD1) 3.370 1.419 1.419 weight 1.000 ! spec=13C_...P_FI, no=416, id=405, vol=1.244714e+08
    or (segid "   C" and resid   50 and name   HA) (segid "   C" and resid   50 and name  HD2)
assign (segid "   C" and resid   30 and name  HB2) (segid "   C" and resid   50 and name  HE1) 4.251 2.259 2.259 weight 1.000 ! spec=13C_...P_FI, no=421, id=407, vol=5.008568e+07
    or (segid "   C" and resid   30 and name  HB2) (segid "   C" and resid   50 and name  HE2)
assign (segid "   C" and resid   49 and name HD12) (segid "   C" and resid   50 and name   HZ) 3.433 1.474 1.474 weight 1.000 ! spec=13C_...P_FI, no=424, id=409, vol=4.697037e+07
    or (segid "   C" and resid   49 and name HD11) (segid "   C" and resid   50 and name   HZ)
    or (segid "   C" and resid   49 and name HD13) (segid "   C" and resid   50 and name   HZ)
assign (segid "   C" and resid   49 and name   HB) (segid "   C" and resid   50 and name  HD1) 4.241 2.249 2.249 weight 1.000 ! spec=13C_...P_FI, no=435, id=410, vol=4.124877e+07
    or (segid "   C" and resid   49 and name   HB) (segid "   C" and resid   50 and name  HD2)
assign (segid "   C" and resid   36 and name   HB) (segid "   C" and resid   36 and name HD12) 2.576 0.829 0.829 weight 1.000 ! spec=13C_...woLP, no=28, id=411, vol=3.575546e+08
    or (segid "   C" and resid   36 and name   HB) (segid "   C" and resid   36 and name HD11)
    or (segid "   C" and resid   36 and name   HB) (segid "   C" and resid   36 and name HD13)
assign (segid "   C" and resid   36 and name HG12) (segid "   C" and resid   36 and name HD12) 2.313 0.669 0.669 weight 1.000 ! spec=13C_...woLP, no=29, id=412, vol=5.213421e+08
    or (segid "   C" and resid   36 and name HG12) (segid "   C" and resid   36 and name HD11)
    or (segid "   C" and resid   36 and name HG12) (segid "   C" and resid   36 and name HD13)
assign (segid "   C" and resid   36 and name HG11) (segid "   C" and resid   36 and name HD12) 2.245 0.630 0.630 weight 1.000 ! spec=13C_...woLP, no=30, id=413, vol=6.235435e+08
    or (segid "   C" and resid   36 and name HG11) (segid "   C" and resid   36 and name HD11)
    or (segid "   C" and resid   36 and name HG11) (segid "   C" and resid   36 and name HD13)
assign (segid "   C" and resid   50 and name   HA) (segid "   C" and resid   50 and name  HB2) 3.448 1.486 1.486 weight 1.000 ! spec=13C_...woLP, no=60, id=415, vol=1.175231e+08
assign (segid "   C" and resid   50 and name   HA) (segid "   C" and resid   50 and name  HB1) 2.960 1.095 1.095 weight 1.000 ! spec=13C_...woLP, no=61, id=416, vol=1.500962e+08
assign (segid "   C" and resid   30 and name  HB2) (segid "   C" and resid   30 and name  HB1) 1.951 0.476 0.476 weight 1.000 ! spec=13C_...woLP, no=70, id=420, vol=7.681759e+08
assign (segid "   C" and resid   37 and name   HA) (segid "   C" and resid   37 and name  HB2) 3.306 1.366 1.366 weight 1.000 ! spec=13C_...woLP, no=80, id=424, vol=8.202376e+07
assign (segid "   C" and resid   37 and name   HA) (segid "   C" and resid   37 and name  HB1) 2.761 0.953 0.953 weight 1.000 ! spec=13C_...woLP, no=84, id=426, vol=1.323808e+08
assign (segid "   C" and resid   37 and name  HB1) (segid "   C" and resid   37 and name  HB2) 2.139 0.572 0.572 weight 1.000 ! spec=13C_...woLP, no=86, id=427, vol=4.502432e+08
assign (segid "   C" and resid   37 and name  HD1) (segid "   C" and resid   37 and name  HG2) 3.048 1.161 1.161 weight 1.000 ! spec=13C_...woLP, no=89, id=428, vol=2.549504e+08
assign (segid "   C" and resid   37 and name  HD2) (segid "   C" and resid   37 and name  HG1) 3.814 1.818 1.818 weight 1.000 ! spec=13C_...woLP, no=90, id=429, vol=9.282319e+07
assign (segid "   C" and resid   37 and name  HB1) (segid "   C" and resid   37 and name  HG2) 2.821 0.995 0.995 weight 1.000 ! spec=13C_...woLP, no=91, id=430, vol=1.413766e+08
assign (segid "   C" and resid   37 and name  HB1) (segid "   C" and resid   37 and name  HG1) 4.187 2.191 2.191 weight 1.000 ! spec=13C_...woLP, no=92, id=431, vol=4.808688e+07
assign (segid "   C" and resid   34 and name  HB1) (segid "   C" and resid   34 and name   HA) 2.572 0.827 0.827 weight 1.000 ! spec=13C_...woLP, no=149, id=434, vol=3.386010e+08
assign (segid "   C" and resid   20 and name HD12) (segid "   C" and resid   20 and name   HA) 3.412 1.455 1.455 weight 1.000 ! spec=13C_...woLP, no=160, id=436, vol=2.488895e+08
    or (segid "   C" and resid   20 and name HD11) (segid "   C" and resid   20 and name   HA)
    or (segid "   C" and resid   20 and name HD13) (segid "   C" and resid   20 and name   HA)
assign (segid "   C" and resid   14 and name   HA) (segid "   C" and resid   35 and name  HE1) 2.867 1.028 1.028 weight 1.000 ! spec=13C_...woLP, no=232, id=437, vol=2.345395e+08
assign (segid "   C" and resid   14 and name  HB2) (segid "   C" and resid   14 and name   HA) 2.611 0.852 0.852 weight 1.000 ! spec=13C_...woLP, no=234, id=438, vol=4.271461e+08
assign (segid "   C" and resid   14 and name  HB1) (segid "   C" and resid   14 and name   HA) 2.400 0.720 0.720 weight 1.000 ! spec=13C_...woLP, no=235, id=439, vol=5.929222e+08
assign (segid "   C" and resid   13 and name HG22) (segid "   C" and resid   14 and name   HA) 3.385 1.432 1.432 weight 1.000 ! spec=13C_...woLP, no=236, id=440, vol=9.791115e+07
    or (segid "   C" and resid   13 and name HG21) (segid "   C" and resid   14 and name   HA)
    or (segid "   C" and resid   13 and name HG23) (segid "   C" and resid   14 and name   HA)
assign (segid "   C" and resid   31 and name  HB1) (segid "   C" and resid   31 and name  HB2) 1.837 0.422 0.422 weight 1.000 ! spec=13C_...woLP, no=255, id=446, vol=1.201795e+09
assign (segid "   C" and resid   11 and name  HB2) (segid "   C" and resid   11 and name   HA) 2.929 1.073 1.073 weight 1.000 ! spec=13C_...woLP, no=261, id=449, vol=2.230030e+08
assign (segid "   C" and resid   22 and name  HB1) (segid "   C" and resid   22 and name  HB2) 2.015 0.507 0.507 weight 1.000 ! spec=13C_...woLP, no=273, id=450, vol=5.243088e+08
assign (segid "   C" and resid   30 and name   HA) (segid "   C" and resid   30 and name  HB2) 2.446 0.748 0.748 weight 1.000 ! spec=13C_...woLP, no=287, id=453, vol=3.649486e+08
assign (segid "   C" and resid   30 and name   HA) (segid "   C" and resid   30 and name  HB1) 3.204 1.283 1.283 weight 1.000 ! spec=13C_...woLP, no=289, id=454, vol=1.978112e+08
assign (segid "   C" and resid   29 and name   HB) (segid "   C" and resid   29 and name   HA) 2.504 0.784 0.784 weight 1.000 ! spec=13C_...woLP, no=297, id=458, vol=4.136633e+08
assign (segid "   C" and resid   29 and name HG12) (segid "   C" and resid   29 and name   HA) 2.206 0.608 0.608 weight 1.000 ! spec=13C_...woLP, no=315, id=462, vol=9.832234e+08
    or (segid "   C" and resid   29 and name HG11) (segid "   C" and resid   29 and name   HA)
    or (segid "   C" and resid   29 and name HG13) (segid "   C" and resid   29 and name   HA)
assign (segid "   C" and resid   29 and name HG12) (segid "   C" and resid   29 and name   HB) 2.149 0.577 0.577 weight 1.000 ! spec=13C_...woLP, no=319, id=463, vol=7.642622e+08
    or (segid "   C" and resid   29 and name HG11) (segid "   C" and resid   29 and name   HB)
    or (segid "   C" and resid   29 and name HG13) (segid "   C" and resid   29 and name   HB)
assign (segid "   C" and resid   29 and name HG12) (segid "   C" and resid   29 and name HG22) 1.900 0.451 0.451 weight 1.000 ! spec=13C_...woLP, no=320, id=464, vol=1.260896e+09
    or (segid "   C" and resid   29 and name HG12) (segid "   C" and resid   29 and name HG21)
    or (segid "   C" and resid   29 and name HG12) (segid "   C" and resid   29 and name HG23)
    or (segid "   C" and resid   29 and name HG11) (segid "   C" and resid   29 and name HG22)
    or (segid "   C" and resid   29 and name HG11) (segid "   C" and resid   29 and name HG21)
    or (segid "   C" and resid   29 and name HG11) (segid "   C" and resid   29 and name HG23)
    or (segid "   C" and resid   29 and name HG13) (segid "   C" and resid   29 and name HG22)
    or (segid "   C" and resid   29 and name HG13) (segid "   C" and resid   29 and name HG21)
    or (segid "   C" and resid   29 and name HG13) (segid "   C" and resid   29 and name HG23)
assign (segid "   C" and resid   16 and name  HB1) (segid "   C" and resid   13 and name   HA) 3.804 1.809 1.809 weight 1.000 ! spec=13C_...woLP, no=322, id=465, vol=1.315825e+08
assign (segid "   C" and resid   13 and name HG22) (segid "   C" and resid   13 and name   HA) 2.226 0.619 0.619 weight 1.000 ! spec=13C_...woLP, no=327, id=467, vol=9.213990e+08
    or (segid "   C" and resid   13 and name HG21) (segid "   C" and resid   13 and name   HA)
    or (segid "   C" and resid   13 and name HG23) (segid "   C" and resid   13 and name   HA)
assign (segid "   C" and resid   16 and name  HB2) (segid "   C" and resid   13 and name   HA) 2.557 0.817 0.817 weight 1.000 ! spec=13C_...woLP, no=331, id=469, vol=2.954927e+08
assign (segid "   C" and resid   18 and name  HA1) (segid "   C" and resid   13 and name HG22) 3.282 1.346 1.346 weight 1.000 ! spec=13C_...woLP, no=338, id=471, vol=3.251428e+08
    or (segid "   C" and resid   18 and name  HA1) (segid "   C" and resid   13 and name HG21)
    or (segid "   C" and resid   18 and name  HA1) (segid "   C" and resid   13 and name HG23)
assign (segid "   C" and resid   18 and name  HA2) (segid "   C" and resid   13 and name HG22) 2.060 0.531 0.531 weight 1.000 ! spec=13C_...woLP, no=340, id=473, vol=6.891555e+08
    or (segid "   C" and resid   18 and name  HA2) (segid "   C" and resid   13 and name HG21)
    or (segid "   C" and resid   18 and name  HA2) (segid "   C" and resid   13 and name HG23)
assign (segid "   C" and resid   16 and name  HB2) (segid "   C" and resid   13 and name HG22) 3.599 1.619 1.619 weight 1.000 ! spec=13C_...woLP, no=342, id=474, vol=6.161497e+07
    or (segid "   C" and resid   16 and name  HB2) (segid "   C" and resid   13 and name HG21)
    or (segid "   C" and resid   16 and name  HB2) (segid "   C" and resid   13 and name HG23)
assign (segid "   C" and resid   13 and name HG22) (segid "   C" and resid   13 and name   HB) 2.081 0.541 0.541 weight 1.000 ! spec=13C_...woLP, no=343, id=475, vol=8.599133e+08
    or (segid "   C" and resid   13 and name HG21) (segid "   C" and resid   13 and name   HB)
    or (segid "   C" and resid   13 and name HG23) (segid "   C" and resid   13 and name   HB)
assign (segid "   C" and resid   13 and name HG12) (segid "   C" and resid   13 and name   HA) 2.484 0.771 0.771 weight 1.000 ! spec=13C_...woLP, no=347, id=477, vol=9.493787e+08
    or (segid "   C" and resid   13 and name HG11) (segid "   C" and resid   13 and name   HA)
    or (segid "   C" and resid   13 and name HG13) (segid "   C" and resid   13 and name   HA)
assign (segid "   C" and resid   16 and name  HB2) (segid "   C" and resid   13 and name HG12) 3.965 1.965 1.965 weight 1.000 ! spec=13C_...woLP, no=350, id=478, vol=7.934839e+07
    or (segid "   C" and resid   16 and name  HB2) (segid "   C" and resid   13 and name HG11)
    or (segid "   C" and resid   16 and name  HB2) (segid "   C" and resid   13 and name HG13)
assign (segid "   C" and resid   13 and name   HB) (segid "   C" and resid   13 and name HG12) 1.877 0.440 0.440 weight 1.000 ! spec=13C_...woLP, no=354, id=479, vol=1.598377e+09
    or (segid "   C" and resid   13 and name   HB) (segid "   C" and resid   13 and name HG11)
    or (segid "   C" and resid   13 and name   HB) (segid "   C" and resid   13 and name HG13)
assign (segid "   C" and resid   13 and name HG12) (segid "   C" and resid   13 and name HG22) 1.735 0.376 0.376 weight 1.000 ! spec=13C_...woLP, no=355, id=480, vol=1.983643e+09
    or (segid "   C" and resid   13 and name HG12) (segid "   C" and resid   13 and name HG21)
    or (segid "   C" and resid   13 and name HG12) (segid "   C" and resid   13 and name HG23)
    or (segid "   C" and resid   13 and name HG11) (segid "   C" and resid   13 and name HG22)
    or (segid "   C" and resid   13 and name HG11) (segid "   C" and resid   13 and name HG21)
    or (segid "   C" and resid   13 and name HG11) (segid "   C" and resid   13 and name HG23)
    or (segid "   C" and resid   13 and name HG13) (segid "   C" and resid   13 and name HG22)
    or (segid "   C" and resid   13 and name HG13) (segid "   C" and resid   13 and name HG21)
    or (segid "   C" and resid   13 and name HG13) (segid "   C" and resid   13 and name HG23)
assign (segid "   C" and resid    3 and name  HG1) (segid "   C" and resid    3 and name   HA) 2.794 0.976 0.976 weight 1.000 ! spec=13C_...woLP, no=363, id=481, vol=3.529447e+08
assign (segid "   C" and resid    3 and name  HB2) (segid "   C" and resid    3 and name   HA) 2.260 0.639 0.639 weight 1.000 ! spec=13C_...woLP, no=364, id=482, vol=8.056982e+08
assign (segid "   C" and resid    3 and name  HB2) (segid "   C" and resid    3 and name  HG2) 2.425 0.735 0.735 weight 1.000 ! spec=13C_...woLP, no=365, id=483, vol=4.965064e+08
assign (segid "   C" and resid    3 and name  HB1) (segid "   C" and resid    3 and name  HG1) 2.425 0.735 0.735 weight 1.000 ! spec=13C_...woLP, no=366, id=484, vol=4.638920e+08
assign (segid "   C" and resid    7 and name   HA) (segid "   C" and resid    7 and name  HB2) 2.583 0.834 0.834 weight 1.000 ! spec=13C_...woLP, no=382, id=488, vol=3.553877e+08
assign (segid "   C" and resid    7 and name   HA) (segid "   C" and resid    7 and name  HB1) 2.674 0.894 0.894 weight 1.000 ! spec=13C_...woLP, no=383, id=489, vol=3.731280e+08
assign (segid "   C" and resid    7 and name  HB1) (segid "   C" and resid    7 and name  HB2) 1.738 0.378 0.378 weight 1.000 ! spec=13C_...woLP, no=384, id=490, vol=1.975714e+09
assign (segid "   C" and resid    8 and name HD12) (segid "   C" and resid    8 and name  HB2) 2.376 0.706 0.706 weight 1.000 ! spec=13C_...woLP, no=388, id=491, vol=6.013198e+08
    or (segid "   C" and resid    8 and name HD11) (segid "   C" and resid    8 and name  HB2)
    or (segid "   C" and resid    8 and name HD13) (segid "   C" and resid    8 and name  HB2)
assign (segid "   C" and resid    8 and name HD12) (segid "   C" and resid    8 and name  HB1) 2.557 0.817 0.817 weight 1.000 ! spec=13C_...woLP, no=389, id=492, vol=3.689100e+08
    or (segid "   C" and resid    8 and name HD11) (segid "   C" and resid    8 and name  HB1)
    or (segid "   C" and resid    8 and name HD13) (segid "   C" and resid    8 and name  HB1)
assign (segid "   C" and resid    8 and name   HA) (segid "   C" and resid    8 and name  HB1) 2.680 0.898 0.898 weight 1.000 ! spec=13C_...woLP, no=390, id=493, vol=2.824628e+08
assign (segid "   C" and resid    8 and name   HA) (segid "   C" and resid    8 and name HD22) 2.168 0.588 0.588 weight 1.000 ! spec=13C_...woLP, no=393, id=494, vol=7.946560e+08
    or (segid "   C" and resid    8 and name   HA) (segid "   C" and resid    8 and name HD21)
    or (segid "   C" and resid    8 and name   HA) (segid "   C" and resid    8 and name HD23)
assign (segid "   C" and resid    8 and name   HG) (segid "   C" and resid    8 and name HD22) 1.914 0.458 0.458 weight 1.000 ! spec=13C_...woLP, no=397, id=495, vol=1.363619e+09
    or (segid "   C" and resid    8 and name   HG) (segid "   C" and resid    8 and name HD21)
    or (segid "   C" and resid    8 and name   HG) (segid "   C" and resid    8 and name HD23)
assign (segid "   C" and resid    8 and name   HG) (segid "   C" and resid    8 and name HD12) 1.857 0.431 0.431 weight 1.000 ! spec=13C_...woLP, no=411, id=496, vol=1.648923e+09
    or (segid "   C" and resid    8 and name   HG) (segid "   C" and resid    8 and name HD11)
    or (segid "   C" and resid    8 and name   HG) (segid "   C" and resid    8 and name HD13)
assign (segid "   C" and resid    9 and name  HB2) (segid "   C" and resid    9 and name   HA) 2.511 0.788 0.788 weight 1.000 ! spec=13C_...woLP, no=415, id=498, vol=4.237343e+08
assign (segid "   C" and resid    9 and name  HB1) (segid "   C" and resid    9 and name   HA) 2.792 0.974 0.974 weight 1.000 ! spec=13C_...woLP, no=416, id=499, vol=4.105901e+08
assign (segid "   C" and resid   12 and name  HG1) (segid "   C" and resid   12 and name   HA) 2.880 1.036 1.036 weight 1.000 ! spec=13C_...woLP, no=423, id=501, vol=3.258115e+08
assign (segid "   C" and resid   12 and name  HB1) (segid "   C" and resid   12 and name   HA) 2.330 0.679 0.679 weight 1.000 ! spec=13C_...woLP, no=424, id=502, vol=1.306838e+09
assign (segid "   C" and resid   15 and name  HG2) (segid "   C" and resid   12 and name   HA) 3.608 1.627 1.627 weight 1.000 ! spec=13C_...woLP, no=425, id=503, vol=8.465688e+07
assign (segid "   C" and resid   12 and name   HA) (segid "   C" and resid   12 and name  HB2) 2.424 0.734 0.734 weight 1.000 ! spec=13C_...woLP, no=426, id=504, vol=4.445151e+08
assign (segid "   C" and resid   15 and name  HG2) (segid "   C" and resid   15 and name   HA) 2.707 0.916 0.916 weight 1.000 ! spec=13C_...woLP, no=432, id=508, vol=3.944215e+08
assign (segid "   C" and resid   16 and name  HB1) (segid "   C" and resid   15 and name   HA) 4.587 2.630 2.630 weight 1.000 ! spec=13C_...woLP, no=433, id=509, vol=4.645481e+07
assign (segid "   C" and resid   16 and name   HA) (segid "   C" and resid   15 and name   HA) 3.969 1.969 1.969 weight 1.000 ! spec=13C_...woLP, no=434, id=510, vol=4.749173e+07
assign (segid "   C" and resid   15 and name   HA) (segid "   C" and resid   15 and name  HG1) 2.713 0.920 0.920 weight 1.000 ! spec=13C_...woLP, no=438, id=514, vol=2.721461e+08
assign (segid "   C" and resid   16 and name   HA) (segid "   C" and resid   16 and name  HB1) 2.556 0.816 0.816 weight 1.000 ! spec=13C_...woLP, no=444, id=516, vol=3.922266e+08
assign (segid "   C" and resid   16 and name   HA) (segid "   C" and resid   16 and name  HB2) 3.074 1.181 1.181 weight 1.000 ! spec=13C_...woLP, no=448, id=519, vol=2.541978e+08
assign (segid "   C" and resid   17 and name  HA2) (segid "   C" and resid   17 and name  HA1) 1.854 0.430 0.430 weight 1.000 ! spec=13C_...woLP, no=449, id=520, vol=1.482048e+09
assign (segid "   C" and resid   18 and name  HA2) (segid "   C" and resid   18 and name  HA1) 1.677 0.352 0.352 weight 1.000 ! spec=13C_...woLP, no=454, id=523, vol=1.965816e+09
assign (segid "   C" and resid   35 and name  HB1) (segid "   C" and resid   35 and name  HB2) 1.821 0.415 0.415 weight 1.000 ! spec=13C_...woLP, no=510, id=529, vol=1.346950e+09
assign (segid "   C" and resid   36 and name   HA) (segid "   C" and resid   36 and name   HB) 2.917 1.063 1.063 weight 1.000 ! spec=13C_...woLP, no=519, id=532, vol=1.600393e+08
assign (segid "   C" and resid   36 and name HG12) (segid "   C" and resid   36 and name   HB) 2.424 0.734 0.734 weight 1.000 ! spec=13C_...woLP, no=521, id=533, vol=3.534821e+08
assign (segid "   C" and resid   36 and name HG11) (segid "   C" and resid   36 and name   HB) 2.924 1.068 1.068 weight 1.000 ! spec=13C_...woLP, no=522, id=534, vol=2.561565e+08
assign (segid "   C" and resid   36 and name HG22) (segid "   C" and resid   36 and name   HB) 2.129 0.567 0.567 weight 1.000 ! spec=13C_...woLP, no=523, id=535, vol=8.086767e+08
    or (segid "   C" and resid   36 and name HG21) (segid "   C" and resid   36 and name   HB)
    or (segid "   C" and resid   36 and name HG23) (segid "   C" and resid   36 and name   HB)
assign (segid "   C" and resid   36 and name HG11) (segid "   C" and resid   36 and name   HA) 2.669 0.891 0.891 weight 1.000 ! spec=13C_...woLP, no=524, id=536, vol=1.907931e+08
assign (segid "   C" and resid   36 and name   HA) (segid "   C" and resid   36 and name HG12) 3.110 1.209 1.209 weight 1.000 ! spec=13C_...woLP, no=528, id=540, vol=1.459630e+08
assign (segid "   C" and resid   36 and name HG12) (segid "   C" and resid   36 and name HG11) 1.776 0.394 0.394 weight 1.000 ! spec=13C_...woLP, no=530, id=541, vol=1.202441e+09
assign (segid "   C" and resid   33 and name  HB1) (segid "   C" and resid   33 and name   HA) 2.923 1.068 1.068 weight 1.000 ! spec=13C_...woLP, no=533, id=542, vol=1.493082e+08
assign (segid "   C" and resid   33 and name   HA) (segid "   C" and resid   33 and name  HB2) 2.982 1.112 1.112 weight 1.000 ! spec=13C_...woLP, no=537, id=543, vol=2.556061e+08
assign (segid "   C" and resid   32 and name  HB1) (segid "   C" and resid   32 and name   HA) 2.963 1.097 1.097 weight 1.000 ! spec=13C_...woLP, no=544, id=546, vol=2.824590e+08
assign (segid "   C" and resid   32 and name  HB2) (segid "   C" and resid   32 and name   HA) 2.552 0.814 0.814 weight 1.000 ! spec=13C_...woLP, no=545, id=547, vol=3.320123e+08
assign (segid "   C" and resid   36 and name HG22) (segid "   C" and resid   36 and name   HA) 2.340 0.684 0.684 weight 1.000 ! spec=13C_...woLP, no=554, id=552, vol=6.217858e+08
    or (segid "   C" and resid   36 and name HG21) (segid "   C" and resid   36 and name   HA)
    or (segid "   C" and resid   36 and name HG23) (segid "   C" and resid   36 and name   HA)
assign (segid "   C" and resid   36 and name HG12) (segid "   C" and resid   36 and name HG22) 2.924 1.069 1.069 weight 1.000 ! spec=13C_...woLP, no=557, id=553, vol=4.197791e+08
    or (segid "   C" and resid   36 and name HG12) (segid "   C" and resid   36 and name HG21)
    or (segid "   C" and resid   36 and name HG12) (segid "   C" and resid   36 and name HG23)
assign (segid "   C" and resid   25 and name   HB) (segid "   C" and resid   25 and name   HA) 2.622 0.859 0.859 weight 1.000 ! spec=13C_...woLP, no=584, id=557, vol=3.643979e+08
assign (segid "   C" and resid   28 and name  HB2) (segid "   C" and resid   25 and name   HA) 2.762 0.953 0.953 weight 1.000 ! spec=13C_...woLP, no=586, id=559, vol=1.785652e+08
assign (segid "   C" and resid   25 and name HG21) (segid "   C" and resid   25 and name   HB) 2.006 0.503 0.503 weight 1.000 ! spec=13C_...woLP, no=591, id=563, vol=1.210598e+09
    or (segid "   C" and resid   25 and name HG22) (segid "   C" and resid   25 and name   HB)
    or (segid "   C" and resid   25 and name HG23) (segid "   C" and resid   25 and name   HB)
assign (segid "   C" and resid   25 and name HG21) (segid "   C" and resid   25 and name   HA) 2.249 0.632 0.632 weight 1.000 ! spec=13C_...woLP, no=592, id=564, vol=7.498920e+08
    or (segid "   C" and resid   25 and name HG22) (segid "   C" and resid   25 and name   HA)
    or (segid "   C" and resid   25 and name HG23) (segid "   C" and resid   25 and name   HA)
assign (segid "   C" and resid   28 and name  HD1) (segid "   C" and resid   25 and name HG21) 3.546 1.571 1.571 weight 1.000 ! spec=13C_...woLP, no=593, id=565, vol=1.254209e+08
    or (segid "   C" and resid   28 and name  HD1) (segid "   C" and resid   25 and name HG22)
    or (segid "   C" and resid   28 and name  HD1) (segid "   C" and resid   25 and name HG23)
assign (segid "   C" and resid   26 and name  HB2) (segid "   C" and resid   26 and name   HA) 2.534 0.803 0.803 weight 1.000 ! spec=13C_...woLP, no=600, id=567, vol=3.246054e+08
assign (segid "   C" and resid   26 and name  HB1) (segid "   C" and resid   26 and name   HA) 2.936 1.078 1.078 weight 1.000 ! spec=13C_...woLP, no=601, id=568, vol=2.473607e+08
assign (segid "   C" and resid   22 and name  HB1) (segid "   C" and resid   26 and name  HB2) 2.732 0.933 0.933 weight 1.000 ! spec=13C_...woLP, no=602, id=569, vol=2.814326e+08
assign (segid "   C" and resid   22 and name  HB1) (segid "   C" and resid   26 and name  HB1) 2.445 0.747 0.747 weight 1.000 ! spec=13C_...woLP, no=603, id=570, vol=2.373451e+08
assign (segid "   C" and resid   26 and name  HB1) (segid "   C" and resid   22 and name  HB2) 4.028 2.028 2.028 weight 1.000 ! spec=13C_...woLP, no=606, id=571, vol=1.346575e+08
assign (segid "   C" and resid   28 and name  HD1) (segid "   C" and resid   28 and name  HB2) 2.361 0.697 0.697 weight 1.000 ! spec=13C_...woLP, no=629, id=575, vol=4.600467e+08
assign (segid "   C" and resid   28 and name   HA) (segid "   C" and resid   28 and name  HB2) 2.600 0.845 0.845 weight 1.000 ! spec=13C_...woLP, no=630, id=576, vol=5.558423e+08
assign (segid "   C" and resid   39 and name HG12) (segid "   C" and resid   39 and name   HA) 2.447 0.748 0.748 weight 1.000 ! spec=13C_...woLP, no=636, id=577, vol=5.087823e+08
    or (segid "   C" and resid   39 and name HG11) (segid "   C" and resid   39 and name   HA)
    or (segid "   C" and resid   39 and name HG13) (segid "   C" and resid   39 and name   HA)
assign (segid "   C" and resid   39 and name   HB) (segid "   C" and resid   39 and name HG12) 1.994 0.497 0.497 weight 1.000 ! spec=13C_...woLP, no=637, id=578, vol=1.127003e+09
    or (segid "   C" and resid   39 and name   HB) (segid "   C" and resid   39 and name HG11)
    or (segid "   C" and resid   39 and name   HB) (segid "   C" and resid   39 and name HG13)
assign (segid "   C" and resid   41 and name   HA) (segid "   C" and resid   41 and name  HB2) 2.122 0.563 0.563 weight 1.000 ! spec=13C_...woLP, no=653, id=579, vol=1.043169e+09
    or (segid "   C" and resid   41 and name   HA) (segid "   C" and resid   41 and name  HB1)
    or (segid "   C" and resid   41 and name   HA) (segid "   C" and resid   41 and name  HB3)
assign (segid "   C" and resid   49 and name HG22) (segid "   C" and resid   49 and name   HB) 2.350 0.690 0.690 weight 1.000 ! spec=13C_...woLP, no=739, id=585, vol=4.660472e+08
    or (segid "   C" and resid   49 and name HG21) (segid "   C" and resid   49 and name   HB)
    or (segid "   C" and resid   49 and name HG23) (segid "   C" and resid   49 and name   HB)
assign (segid "   C" and resid   49 and name HD12) (segid "   C" and resid   49 and name   HB) 2.377 0.706 0.706 weight 1.000 ! spec=13C_...woLP, no=758, id=586, vol=5.754078e+08
    or (segid "   C" and resid   49 and name HD11) (segid "   C" and resid   49 and name   HB)
    or (segid "   C" and resid   49 and name HD13) (segid "   C" and resid   49 and name   HB)
assign (segid "   C" and resid   38 and name  HD1) (segid "   C" and resid   38 and name  HD2) 1.903 0.453 0.453 weight 1.000 ! spec=13C_...woLP, no=770, id=587, vol=8.217657e+08
assign (segid "   C" and resid   50 and name  HB2) (segid "   C" and resid   50 and name  HB1) 1.911 0.456 0.456 weight 1.000 ! spec=13C_...woLP, no=788, id=588, vol=1.013043e+09
assign (segid "   C" and resid   51 and name   HA) (segid "   C" and resid   51 and name  HB1) 3.105 1.205 1.205 weight 1.000 ! spec=13C_...woLP, no=805, id=589, vol=1.658767e+08
assign (segid "   C" and resid   55 and name   HA) (segid "   C" and resid   55 and name  HB1) 2.528 0.799 0.799 weight 1.000 ! spec=13C_...woLP, no=838, id=598, vol=3.691884e+08
assign (segid "   C" and resid   55 and name   HA) (segid "   C" and resid   55 and name  HB2) 2.708 0.917 0.917 weight 1.000 ! spec=13C_...woLP, no=839, id=599, vol=4.163288e+08
assign (segid "   C" and resid   32 and name   HA) (segid "   C" and resid   35 and name  HD2) 2.674 0.894 0.894 weight 1.000 ! spec=13C_...woLP, no=875, id=601, vol=2.947784e+08
assign (segid "   C" and resid   35 and name  HB1) (segid "   C" and resid   13 and name HG12) 3.221 1.297 1.297 weight 1.000 ! spec=13C_...woLP, no=896, id=602, vol=1.274114e+08
    or (segid "   C" and resid   35 and name  HB1) (segid "   C" and resid   13 and name HG11)
    or (segid "   C" and resid   35 and name  HB1) (segid "   C" and resid   13 and name HG13)
assign (segid "   C" and resid   10 and name   HA) (segid "   C" and resid   10 and name  HB1) 2.413 0.728 0.728 weight 1.000 ! spec=13C_...woLP, no=929, id=604, vol=5.132310e+08
assign (segid "   C" and resid   35 and name  HD2) (segid "   C" and resid   13 and name HG22) 3.917 1.918 1.918 weight 1.000 ! spec=13C_...woLP, no=1055, id=611, vol=6.440322e+07
    or (segid "   C" and resid   35 and name  HD2) (segid "   C" and resid   13 and name HG21)
    or (segid "   C" and resid   35 and name  HD2) (segid "   C" and resid   13 and name HG23)
assign (segid "   C" and resid   13 and name HG22) (segid "   C" and resid   35 and name  HB2) 2.764 0.955 0.955 weight 1.000 ! spec=13C_...woLP, no=1060, id=613, vol=1.776788e+08
    or (segid "   C" and resid   13 and name HG21) (segid "   C" and resid   35 and name  HB2)
    or (segid "   C" and resid   13 and name HG23) (segid "   C" and resid   35 and name  HB2)
assign (segid "   C" and resid   16 and name  HB1) (segid "   C" and resid   13 and name HG12) 4.560 2.599 2.599 weight 1.000 ! spec=13C_...woLP, no=1091, id=615, vol=6.364455e+07
    or (segid "   C" and resid   16 and name  HB1) (segid "   C" and resid   13 and name HG11)
    or (segid "   C" and resid   16 and name  HB1) (segid "   C" and resid   13 and name HG13)
assign (segid "   C" and resid   34 and name  HB1) (segid "   C" and resid   27 and name   HA) 3.009 1.132 1.132 weight 1.000 ! spec=13C_...woLP, no=1094, id=616, vol=1.837520e+08
assign (segid "   C" and resid   29 and name HG22) (segid "   C" and resid   29 and name   HB) 2.177 0.593 0.593 weight 1.000 ! spec=13C_...woLP, no=1153, id=617, vol=6.864411e+08
    or (segid "   C" and resid   29 and name HG21) (segid "   C" and resid   29 and name   HB)
    or (segid "   C" and resid   29 and name HG23) (segid "   C" and resid   29 and name   HB)
assign (segid "   C" and resid   29 and name HG22) (segid "   C" and resid   30 and name  HD1) 3.649 1.664 1.664 weight 1.000 ! spec=13C_...woLP, no=1160, id=618, vol=9.606391e+07
    or (segid "   C" and resid   29 and name HG22) (segid "   C" and resid   30 and name  HD2)
    or (segid "   C" and resid   29 and name HG21) (segid "   C" and resid   30 and name  HD1)
    or (segid "   C" and resid   29 and name HG21) (segid "   C" and resid   30 and name  HD2)
    or (segid "   C" and resid   29 and name HG23) (segid "   C" and resid   30 and name  HD1)
    or (segid "   C" and resid   29 and name HG23) (segid "   C" and resid   30 and name  HD2)
assign (segid "   C" and resid   29 and name HG12) (segid "   C" and resid   30 and name  HD1) 4.171 2.175 2.175 weight 1.000 ! spec=13C_...woLP, no=1163, id=621, vol=8.043273e+07
    or (segid "   C" and resid   29 and name HG12) (segid "   C" and resid   30 and name  HD2)
    or (segid "   C" and resid   29 and name HG11) (segid "   C" and resid   30 and name  HD1)
    or (segid "   C" and resid   29 and name HG11) (segid "   C" and resid   30 and name  HD2)
    or (segid "   C" and resid   29 and name HG13) (segid "   C" and resid   30 and name  HD1)
    or (segid "   C" and resid   29 and name HG13) (segid "   C" and resid   30 and name  HD2)
assign (segid "   C" and resid   28 and name  HB2) (segid "   C" and resid   29 and name HG12) 2.705 0.915 0.915 weight 1.000 ! spec=13C_...woLP, no=1166, id=622, vol=2.163944e+08
    or (segid "   C" and resid   28 and name  HB2) (segid "   C" and resid   29 and name HG11)
    or (segid "   C" and resid   28 and name  HB2) (segid "   C" and resid   29 and name HG13)
assign (segid "   C" and resid   21 and name  HB2) (segid "   C" and resid   49 and name HG22) 3.317 1.376 1.376 weight 1.000 ! spec=13C_...woLP, no=1168, id=623, vol=7.807490e+07
    or (segid "   C" and resid   21 and name  HB2) (segid "   C" and resid   49 and name HG21)
    or (segid "   C" and resid   21 and name  HB2) (segid "   C" and resid   49 and name HG23)
assign (segid "   C" and resid   26 and name  HB1) (segid "   C" and resid   50 and name  HD1) 4.284 2.294 2.294 weight 1.000 ! spec=13C_...woLP, no=1246, id=625, vol=8.621339e+07
    or (segid "   C" and resid   26 and name  HB1) (segid "   C" and resid   50 and name  HD2)
assign (segid "   C" and resid   31 and name   HA) (segid "   C" and resid   31 and name  HB2) 2.366 0.700 0.700 weight 1.000 ! spec=13C_...woLP, no=1319, id=626, vol=4.856243e+08
assign (segid "   C" and resid   34 and name  HB2) (segid "   C" and resid   31 and name   HA) 2.408 0.725 0.725 weight 1.000 ! spec=13C_...woLP, no=1320, id=627, vol=3.802144e+08
assign (segid "   C" and resid   31 and name   HA) (segid "   C" and resid   31 and name  HB1) 2.887 1.042 1.042 weight 1.000 ! spec=13C_...woLP, no=1321, id=628, vol=3.373983e+08
assign (segid "   C" and resid   34 and name  HB1) (segid "   C" and resid   31 and name   HA) 3.637 1.653 1.653 weight 1.000 ! spec=13C_...woLP, no=1322, id=629, vol=1.715065e+08
assign (segid "   C" and resid   13 and name HG22) (segid "   C" and resid   35 and name  HB1) 3.902 1.903 1.903 weight 1.000 ! spec=13C_...woLP, no=1333, id=630, vol=1.068171e+08
    or (segid "   C" and resid   13 and name HG21) (segid "   C" and resid   35 and name  HB1)
    or (segid "   C" and resid   13 and name HG23) (segid "   C" and resid   35 and name  HB1)
assign (segid "   C" and resid   13 and name HG12) (segid "   C" and resid   35 and name  HB2) 3.051 1.163 1.163 weight 1.000 ! spec=13C_...woLP, no=1334, id=631, vol=9.689649e+07
    or (segid "   C" and resid   13 and name HG11) (segid "   C" and resid   35 and name  HB2)
    or (segid "   C" and resid   13 and name HG13) (segid "   C" and resid   35 and name  HB2)
assign (segid "   C" and resid   18 and name  HA2) (segid "   C" and resid   14 and name   HA) 3.431 1.471 1.471 weight 1.000 ! spec=13C_...woLP, no=1447, id=634, vol=7.094688e+07
assign (segid "   C" and resid    8 and name   HA) (segid "   C" and resid    8 and name  HB2) 2.691 0.906 0.906 weight 1.000 ! spec=13C_...woLP, no=1458, id=636, vol=2.436924e+08
assign (segid "   C" and resid   32 and name   HA) (segid "   C" and resid   31 and name  HD2) 3.169 1.255 1.255 weight 1.000 ! spec=13C_...woLP, no=1471, id=637, vol=1.296783e+08
assign (segid "   C" and resid   33 and name  HB1) (segid "   C" and resid   50 and name   HZ) 2.694 0.907 0.907 weight 1.000 ! spec=13C_...woLP, no=1497, id=639, vol=2.995904e+08
assign (segid "   C" and resid   30 and name  HD1) (segid "   C" and resid   26 and name   HA) 3.738 1.746 1.746 weight 1.000 ! spec=13C_...woLP, no=1562, id=643, vol=1.071660e+08
    or (segid "   C" and resid   30 and name  HD2) (segid "   C" and resid   26 and name   HA)
assign (segid "   C" and resid   33 and name  HB2) (segid "   C" and resid   50 and name   HZ) 2.710 0.918 0.918 weight 1.000 ! spec=13C_...woLP, no=1603, id=644, vol=2.483739e+08
assign (segid "   C" and resid   30 and name  HD1) (segid "   C" and resid   33 and name  HB2) 5.133 3.293 3.293 weight 1.000 ! spec=13C_...woLP, no=1604, id=645, vol=3.394714e+07
    or (segid "   C" and resid   30 and name  HD2) (segid "   C" and resid   33 and name  HB2)
assign (segid "   C" and resid   21 and name   HA) (segid "   C" and resid   21 and name  HB2) 3.228 1.303 1.303 weight 1.000 ! spec=13C_...woLP, no=1623, id=648, vol=7.790758e+07
assign (segid "   C" and resid   45 and name  HG1) (segid "   C" and resid   45 and name  HD1) 3.008 1.131 1.131 weight 1.000 ! spec=13C_...woLP, no=1625, id=650, vol=1.399643e+08
assign (segid "   C" and resid   46 and name  HB1) (segid "   C" and resid   46 and name   HA) 3.144 1.236 1.236 weight 1.000 ! spec=13C_...woLP, no=1634, id=654, vol=1.074168e+08
assign (segid "   C" and resid   45 and name   HA) (segid "   C" and resid   44 and name   HB) 2.978 1.108 1.108 weight 1.000 ! spec=13C_...woLP, no=1637, id=657, vol=1.232891e+08
assign (segid "   C" and resid   44 and name   HA) (segid "   C" and resid   44 and name   HB) 2.969 1.102 1.102 weight 1.000 ! spec=13C_...woLP, no=1638, id=658, vol=1.497028e+08
assign (segid "   C" and resid   44 and name HG21) (segid "   C" and resid   44 and name   HB) 2.503 0.783 0.783 weight 1.000 ! spec=13C_...woLP, no=1643, id=660, vol=3.248149e+08
    or (segid "   C" and resid   44 and name HG22) (segid "   C" and resid   44 and name   HB)
    or (segid "   C" and resid   44 and name HG23) (segid "   C" and resid   44 and name   HB)
assign (segid "   C" and resid   48 and name  HB1) (segid "   C" and resid   48 and name   HA) 3.070 1.178 1.178 weight 1.000 ! spec=13C_...woLP, no=1656, id=661, vol=8.748973e+07
assign (segid "   C" and resid   22 and name   HA) (segid "   C" and resid   48 and name   HA) 3.117 1.214 1.214 weight 1.000 ! spec=13C_...woLP, no=1657, id=662, vol=1.039198e+08
assign (segid "   C" and resid   21 and name  HB2) (segid "   C" and resid   49 and name HD12) 3.469 1.504 1.504 weight 1.000 ! spec=13C_...woLP, no=1686, id=666, vol=1.527481e+08
    or (segid "   C" and resid   21 and name  HB2) (segid "   C" and resid   49 and name HD11)
    or (segid "   C" and resid   21 and name  HB2) (segid "   C" and resid   49 and name HD13)
assign (segid "   C" and resid   38 and name  HD2) (segid "   C" and resid   38 and name   HA) 3.537 1.564 1.564 weight 1.000 ! spec=13C_...woLP, no=1725, id=670, vol=8.726514e+07
assign (segid "   C" and resid   38 and name  HD1) (segid "   C" and resid   38 and name   HA) 3.623 1.640 1.640 weight 1.000 ! spec=13C_...woLP, no=1726, id=671, vol=7.307117e+07
assign (segid "   C" and resid   39 and name   HB) (segid "   C" and resid   39 and name HG22) 2.022 0.511 0.511 weight 1.000 ! spec=13C_...woLP, no=1741, id=673, vol=1.048770e+09
    or (segid "   C" and resid   39 and name   HB) (segid "   C" and resid   39 and name HG21)
    or (segid "   C" and resid   39 and name   HB) (segid "   C" and resid   39 and name HG23)
assign (segid "   C" and resid   39 and name HG22) (segid "   C" and resid   39 and name   HA) 2.456 0.754 0.754 weight 1.000 ! spec=13C_...woLP, no=1742, id=674, vol=4.858288e+08
    or (segid "   C" and resid   39 and name HG21) (segid "   C" and resid   39 and name   HA)
    or (segid "   C" and resid   39 and name HG23) (segid "   C" and resid   39 and name   HA)
assign (segid "   C" and resid   21 and name  HB1) (segid "   C" and resid   21 and name  HD1) 3.023 1.142 1.142 weight 1.000 ! spec=13C_...woLP, no=1749, id=675, vol=3.090242e+08
    or (segid "   C" and resid   21 and name  HB1) (segid "   C" and resid   21 and name  HD2)
assign (segid "   C" and resid   21 and name   HA) (segid "   C" and resid   21 and name  HB1) 3.530 1.558 1.558 weight 1.000 ! spec=13C_...woLP, no=1750, id=676, vol=1.046418e+08
assign (segid "   C" and resid   21 and name  HB1) (segid "   C" and resid   21 and name  HB2) 1.957 0.479 0.479 weight 1.000 ! spec=13C_...woLP, no=1751, id=677, vol=8.910264e+08
assign (segid "   C" and resid   21 and name  HB1) (segid "   C" and resid   49 and name HG22) 3.263 1.331 1.331 weight 1.000 ! spec=13C_...woLP, no=1757, id=680, vol=1.018191e+08
    or (segid "   C" and resid   21 and name  HB1) (segid "   C" and resid   49 and name HG21)
    or (segid "   C" and resid   21 and name  HB1) (segid "   C" and resid   49 and name HG23)
assign (segid "   C" and resid   23 and name  HB1) (segid "   C" and resid   22 and name   HA) 4.764 2.837 2.837 weight 1.000 ! spec=13C_...woLP, no=1758, id=681, vol=4.050938e+07
assign (segid "   C" and resid   22 and name  HB2) (segid "   C" and resid   22 and name   HA) 3.572 1.595 1.595 weight 1.000 ! spec=13C_...woLP, no=1759, id=682, vol=7.103434e+07
assign (segid "   C" and resid   22 and name  HB1) (segid "   C" and resid   22 and name   HA) 2.572 0.827 0.827 weight 1.000 ! spec=13C_...woLP, no=1760, id=683, vol=2.783981e+08
assign (segid "   C" and resid   20 and name HD12) (segid "   C" and resid   20 and name   HG) 2.762 0.954 0.954 weight 1.000 ! spec=13C_...woLP, no=1767, id=684, vol=1.350834e+08
    or (segid "   C" and resid   20 and name HD11) (segid "   C" and resid   20 and name   HG)
    or (segid "   C" and resid   20 and name HD13) (segid "   C" and resid   20 and name   HG)
assign (segid "   C" and resid   20 and name   HA) (segid "   C" and resid   20 and name  HB2) 3.477 1.511 1.511 weight 1.000 ! spec=13C_...woLP, no=1771, id=685, vol=8.758303e+07
assign (segid "   C" and resid   20 and name HD12) (segid "   C" and resid   20 and name  HB2) 3.521 1.550 1.550 weight 1.000 ! spec=13C_...woLP, no=1773, id=687, vol=7.788766e+07
    or (segid "   C" and resid   20 and name HD11) (segid "   C" and resid   20 and name  HB2)
    or (segid "   C" and resid   20 and name HD13) (segid "   C" and resid   20 and name  HB2)
assign (segid "   C" and resid   20 and name HD22) (segid "   C" and resid   20 and name  HB2) 3.004 1.128 1.128 weight 1.000 ! spec=13C_...woLP, no=1774, id=688, vol=9.101468e+07
    or (segid "   C" and resid   20 and name HD21) (segid "   C" and resid   20 and name  HB2)
    or (segid "   C" and resid   20 and name HD23) (segid "   C" and resid   20 and name  HB2)
assign (segid "   C" and resid   20 and name  HB1) (segid "   C" and resid   20 and name  HB2) 1.782 0.397 0.397 weight 1.000 ! spec=13C_...woLP, no=1780, id=690, vol=1.411892e+09
assign (segid "   C" and resid   20 and name HD22) (segid "   C" and resid   20 and name  HB1) 3.583 1.604 1.604 weight 1.000 ! spec=13C_...woLP, no=1781, id=691, vol=1.305084e+08
    or (segid "   C" and resid   20 and name HD21) (segid "   C" and resid   20 and name  HB1)
    or (segid "   C" and resid   20 and name HD23) (segid "   C" and resid   20 and name  HB1)
assign (segid "   C" and resid   20 and name HD12) (segid "   C" and resid   20 and name  HB1) 2.400 0.720 0.720 weight 1.000 ! spec=13C_...woLP, no=1782, id=692, vol=3.818073e+08
    or (segid "   C" and resid   20 and name HD11) (segid "   C" and resid   20 and name  HB1)
    or (segid "   C" and resid   20 and name HD13) (segid "   C" and resid   20 and name  HB1)
assign (segid "   C" and resid   34 and name  HB1) (segid "   C" and resid   20 and name HD22) 3.131 1.226 1.226 weight 1.000 ! spec=13C_...woLP, no=1786, id=696, vol=1.065975e+08
    or (segid "   C" and resid   34 and name  HB1) (segid "   C" and resid   20 and name HD21)
    or (segid "   C" and resid   34 and name  HB1) (segid "   C" and resid   20 and name HD23)
assign (segid "   C" and resid   34 and name  HB2) (segid "   C" and resid   20 and name HD22) 3.804 1.809 1.809 weight 1.000 ! spec=13C_...woLP, no=1787, id=697, vol=9.562995e+07
    or (segid "   C" and resid   34 and name  HB2) (segid "   C" and resid   20 and name HD21)
    or (segid "   C" and resid   34 and name  HB2) (segid "   C" and resid   20 and name HD23)
assign (segid "   C" and resid   20 and name   HG) (segid "   C" and resid   22 and name  HB2) 3.703 1.714 1.714 weight 1.000 ! spec=13C_...woLP, no=1804, id=701, vol=4.497433e+07
assign (segid "   C" and resid   23 and name  HB2) (segid "   C" and resid   23 and name  HB1) 2.210 0.611 0.611 weight 1.000 ! spec=13C_...woLP, no=1812, id=706, vol=3.669118e+08
assign (segid "   C" and resid   23 and name  HB2) (segid "   C" and resid   23 and name   HA) 2.978 1.109 1.109 weight 1.000 ! spec=13C_...woLP, no=1815, id=708, vol=1.267379e+08
assign (segid "   C" and resid   23 and name  HB1) (segid "   C" and resid   23 and name   HA) 3.070 1.178 1.178 weight 1.000 ! spec=13C_...woLP, no=1816, id=709, vol=2.060841e+08
assign (segid "   C" and resid   24 and name  HB2) (segid "   C" and resid   24 and name   HA) 2.816 0.991 0.991 weight 1.000 ! spec=13C_...woLP, no=1823, id=712, vol=4.049395e+08
assign (segid "   C" and resid   24 and name  HB1) (segid "   C" and resid   24 and name   HA) 2.518 0.792 0.792 weight 1.000 ! spec=13C_...woLP, no=1824, id=713, vol=4.107650e+08
assign (segid "   C" and resid   45 and name  HG1) (segid "   C" and resid   45 and name  HG2) 2.288 0.654 0.654 weight 1.000 ! spec=13C_...woLP, no=1840, id=714, vol=2.686707e+08
assign (segid "   C" and resid   45 and name  HG2) (segid "   C" and resid   45 and name  HD1) 3.321 1.378 1.378 weight 1.000 ! spec=13C_...woLP, no=1842, id=716, vol=1.607747e+08
assign (segid "   C" and resid   45 and name   HA) (segid "   C" and resid   45 and name  HB2) 2.971 1.104 1.104 weight 1.000 ! spec=13C_...woLP, no=1843, id=717, vol=1.418275e+08
assign (segid "   C" and resid   45 and name   HA) (segid "   C" and resid   45 and name  HB1) 2.984 1.113 1.113 weight 1.000 ! spec=13C_...woLP, no=1844, id=718, vol=1.102482e+08
assign (segid "   C" and resid   45 and name  HB2) (segid "   C" and resid   45 and name  HB1) 2.100 0.551 0.551 weight 1.000 ! spec=13C_...woLP, no=1845, id=719, vol=4.777435e+08
assign (segid "   C" and resid   45 and name  HG1) (segid "   C" and resid   45 and name  HB1) 3.868 1.870 1.870 weight 1.000 ! spec=13C_...woLP, no=1849, id=721, vol=6.590473e+07
assign (segid "   C" and resid   45 and name  HB2) (segid "   C" and resid   45 and name  HG2) 3.445 1.484 1.484 weight 1.000 ! spec=13C_...woLP, no=1852, id=722, vol=1.012492e+08
assign (segid "   C" and resid   45 and name  HB1) (segid "   C" and resid   45 and name  HG2) 2.893 1.046 1.046 weight 1.000 ! spec=13C_...woLP, no=1853, id=723, vol=1.217444e+08
assign (segid "   C" and resid   50 and name  HB1) (segid "   C" and resid   50 and name  HD1) 3.209 1.287 1.287 weight 1.000 ! spec=13C_...woLP, no=1859, id=727, vol=2.272308e+08
    or (segid "   C" and resid   50 and name  HB1) (segid "   C" and resid   50 and name  HD2)
assign (segid "   C" and resid   39 and name   HA) (segid "   C" and resid   39 and name   HB) 2.568 0.824 0.824 weight 1.000 ! spec=13C_...woLP, no=1865, id=730, vol=3.216610e+08
assign (segid "   C" and resid   34 and name  HB2) (segid "   C" and resid   34 and name   HA) 2.633 0.867 0.867 weight 1.000 ! spec=13C_...woLP, no=1886, id=734, vol=5.386415e+08
assign (segid "   C" and resid   20 and name HD12) (segid "   C" and resid   34 and name  HB1) 3.623 1.641 1.641 weight 1.000 ! spec=13C_...woLP, no=1894, id=736, vol=9.468316e+07
    or (segid "   C" and resid   20 and name HD11) (segid "   C" and resid   34 and name  HB1)
    or (segid "   C" and resid   20 and name HD13) (segid "   C" and resid   34 and name  HB1)
assign (segid "   C" and resid   33 and name  HB1) (segid "   C" and resid   30 and name  HB2) 3.856 1.858 1.858 weight 1.000 ! spec=13C_...woLP, no=1896, id=737, vol=2.177757e+08
assign (segid "   C" and resid   30 and name   HA) (segid "   C" and resid   30 and name  HD1) 3.142 1.234 1.234 weight 1.000 ! spec=13C_...woLP, no=1897, id=738, vol=2.916665e+08
    or (segid "   C" and resid   30 and name   HA) (segid "   C" and resid   30 and name  HD2)
assign (segid "   C" and resid    4 and name  HA2) (segid "   C" and resid    5 and name   HA) 2.942 1.082 3.058 weight 1.000 ! spec=13C_...woLP, no=1938, id=742, vol=3.414030e+08
assign (segid "   C" and resid    5 and name  HB1) (segid "   C" and resid    5 and name  HG2) 2.445 0.748 0.748 weight 1.000 ! spec=13C_...woLP, no=1949, id=744, vol=3.690209e+08
assign (segid "   C" and resid    5 and name  HB1) (segid "   C" and resid    5 and name  HG1) 2.913 1.061 1.061 weight 1.000 ! spec=13C_...woLP, no=1950, id=745, vol=3.283643e+08
assign (segid "   C" and resid    2 and name  HB2) (segid "   C" and resid    2 and name   HA) 2.577 0.830 0.830 weight 1.000 ! spec=13C_...woLP, no=1964, id=746, vol=2.779188e+08
    or (segid "   C" and resid    2 and name  HB1) (segid "   C" and resid    2 and name   HA)
    or (segid "   C" and resid    2 and name  HB3) (segid "   C" and resid    2 and name   HA)
assign (segid "   C" and resid    8 and name   HA) (segid "   C" and resid    8 and name   HG) 2.964 1.099 1.099 weight 1.000 ! spec=13C_...woLP, no=1985, id=747, vol=1.714201e+08
assign (segid "   C" and resid   45 and name   HA) (segid "   C" and resid   44 and name   HA) 2.468 0.762 0.762 weight 1.000 ! spec=13C_...woLP, no=2010, id=748, vol=3.766187e+08
assign (segid "   C" and resid   46 and name  HB2) (segid "   C" and resid   46 and name   HA) 3.250 1.320 1.320 weight 1.000 ! spec=13C_...woLP, no=2019, id=749, vol=1.347622e+08
assign (segid "   C" and resid   49 and name HD12) (segid "   C" and resid   34 and name   HA) 2.480 0.769 0.769 weight 1.000 ! spec=13C_...woLP, no=2085, id=754, vol=4.259421e+08
    or (segid "   C" and resid   49 and name HD11) (segid "   C" and resid   34 and name   HA)
    or (segid "   C" and resid   49 and name HD13) (segid "   C" and resid   34 and name   HA)
assign (segid "   C" and resid   49 and name   HA) (segid "   C" and resid   49 and name HG22) 2.791 0.974 0.974 weight 1.000 ! spec=13C_...woLP, no=2094, id=755, vol=2.029089e+08
    or (segid "   C" and resid   49 and name   HA) (segid "   C" and resid   49 and name HG21)
    or (segid "   C" and resid   49 and name   HA) (segid "   C" and resid   49 and name HG23)
assign (segid "   C" and resid   19 and name   HA) (segid "   C" and resid   19 and name  HG2) 3.253 1.323 1.323 weight 1.000 ! spec=13C_...woLP, no=2111, id=757, vol=1.573208e+08
assign (segid "   C" and resid   10 and name   HA) (segid "   C" and resid   10 and name  HB2) 2.860 1.023 1.023 weight 1.000 ! spec=13C_...woLP, no=2116, id=758, vol=3.385711e+08
assign (segid "   C" and resid   45 and name   HA) (segid "   C" and resid   44 and name HG21) 3.765 1.772 1.772 weight 1.000 ! spec=13C_...woLP, no=2174, id=763, vol=1.318393e+08
    or (segid "   C" and resid   45 and name   HA) (segid "   C" and resid   44 and name HG22)
    or (segid "   C" and resid   45 and name   HA) (segid "   C" and resid   44 and name HG23)
assign (segid "   C" and resid   47 and name  HB2) (segid "   C" and resid   47 and name   HA) 3.416 1.459 1.459 weight 1.000 ! spec=13C_...woLP, no=2187, id=766, vol=1.019241e+08
assign (segid "   C" and resid   36 and name HD12) (segid "   C" and resid   33 and name   HA) 2.870 1.030 1.030 weight 1.000 ! spec=13C_...woLP, no=2204, id=767, vol=2.204249e+08
    or (segid "   C" and resid   36 and name HD11) (segid "   C" and resid   33 and name   HA)
    or (segid "   C" and resid   36 and name HD13) (segid "   C" and resid   33 and name   HA)
assign (segid "   C" and resid   36 and name   HA) (segid "   C" and resid   36 and name HD12) 3.610 1.629 1.629 weight 1.000 ! spec=13C_...woLP, no=2205, id=768, vol=1.633172e+08
    or (segid "   C" and resid   36 and name   HA) (segid "   C" and resid   36 and name HD11)
    or (segid "   C" and resid   36 and name   HA) (segid "   C" and resid   36 and name HD13)
assign (segid "   C" and resid   35 and name  HB1) (segid "   C" and resid   32 and name   HA) 3.380 1.428 1.428 weight 1.000 ! spec=13C_...woLP, no=2215, id=770, vol=9.103899e+07
assign (segid "   C" and resid   30 and name  HE1) (segid "   C" and resid   26 and name  HB2) 3.567 1.590 2.433 weight 1.000 ! spec=13C_...woLP, no=2246, id=771, vol=1.076132e+08
    or (segid "   C" and resid   30 and name  HE2) (segid "   C" and resid   26 and name  HB2)
assign (segid "   C" and resid   30 and name  HD1) (segid "   C" and resid   26 and name  HB2) 3.624 1.642 1.642 weight 1.000 ! spec=13C_...woLP, no=2247, id=772, vol=9.316317e+07
    or (segid "   C" and resid   30 and name  HD2) (segid "   C" and resid   26 and name  HB2)
assign (segid "   C" and resid   31 and name   HA) (segid "   C" and resid   27 and name   HA) 2.808 0.986 0.986 weight 1.000 ! spec=13C_...woLP, no=2249, id=773, vol=2.061664e+08
assign (segid "   C" and resid   34 and name  HB2) (segid "   C" and resid   27 and name   HA) 3.007 1.130 1.130 weight 1.000 ! spec=13C_...woLP, no=2251, id=774, vol=1.879914e+08
assign (segid "   C" and resid   13 and name   HA) (segid "   C" and resid   13 and name   HB) 2.510 0.788 0.788 weight 1.000 ! spec=13C_...woLP, no=2273, id=779, vol=3.534656e+08
assign (segid "   C" and resid   35 and name  HD2) (segid "   C" and resid   13 and name HG12) 3.351 1.403 1.403 weight 1.000 ! spec=13C_...woLP, no=2281, id=782, vol=9.062865e+07
    or (segid "   C" and resid   35 and name  HD2) (segid "   C" and resid   13 and name HG11)
    or (segid "   C" and resid   35 and name  HD2) (segid "   C" and resid   13 and name HG13)
assign (segid "   C" and resid   31 and name  HD2) (segid "   C" and resid   11 and name  HB1) 3.252 1.322 1.322 weight 1.000 ! spec=13C_...woLP, no=2294, id=783, vol=7.624638e+07
assign (segid "   C" and resid    6 and name   HA) (segid "   C" and resid    8 and name HD12) 3.266 1.334 1.334 weight 1.000 ! spec=13C_...woLP, no=2298, id=784, vol=1.215826e+08
    or (segid "   C" and resid    6 and name   HA) (segid "   C" and resid    8 and name HD11)
    or (segid "   C" and resid    6 and name   HA) (segid "   C" and resid    8 and name HD13)
assign (segid "   C" and resid   38 and name  HG1) (segid "   C" and resid   38 and name  HD1) 2.560 0.819 0.819 weight 1.000 ! spec=13C_...woLP, no=2309, id=785, vol=3.617603e+08
assign (segid "   C" and resid   19 and name  HB2) (segid "   C" and resid   19 and name  HG2) 2.389 0.713 0.713 weight 1.000 ! spec=13C_...woLP, no=2310, id=786, vol=4.563706e+08
assign (segid "   C" and resid    8 and name  HB2) (segid "   C" and resid   11 and name  HB2) 3.363 1.413 1.413 weight 1.000 ! spec=13C_...woLP, no=2414, id=794, vol=6.561321e+07
assign (segid "   C" and resid   38 and name  HG2) (segid "   C" and resid   38 and name  HD2) 2.513 0.789 0.789 weight 1.000 ! spec=13C_...woLP, no=2415, id=795, vol=2.571484e+08
assign (segid "   C" and resid   38 and name  HG1) (segid "   C" and resid   38 and name  HD2) 3.076 1.182 1.182 weight 1.000 ! spec=13C_...woLP, no=2416, id=796, vol=1.926852e+08
assign (segid "   C" and resid   38 and name  HG2) (segid "   C" and resid   38 and name  HD1) 3.460 1.496 1.496 weight 1.000 ! spec=13C_...woLP, no=2418, id=798, vol=1.497021e+08
assign (segid "   C" and resid   38 and name  HG1) (segid "   C" and resid   38 and name   HA) 4.119 2.121 2.121 weight 1.000 ! spec=13C_...woLP, no=2420, id=800, vol=9.132527e+07
assign (segid "   C" and resid   49 and name HD12) (segid "   C" and resid   21 and name  HB1) 2.643 0.873 0.873 weight 1.000 ! spec=13C_...woLP, no=2425, id=802, vol=2.965557e+08
    or (segid "   C" and resid   49 and name HD11) (segid "   C" and resid   21 and name  HB1)
    or (segid "   C" and resid   49 and name HD13) (segid "   C" and resid   21 and name  HB1)
assign (segid "   C" and resid   49 and name   HA) (segid "   C" and resid   49 and name   HB) 2.746 0.942 0.942 weight 1.000 ! spec=13C_...woLP, no=2430, id=803, vol=2.138086e+08
assign (segid "   C" and resid   35 and name  HE1) (segid "   C" and resid   18 and name  HA2) 3.762 1.769 1.769 weight 1.000 ! spec=13C_...woLP, no=2462, id=808, vol=4.431691e+07
assign (segid "   C" and resid   18 and name  HA2) (segid "   C" and resid   13 and name HG12) 3.668 1.682 1.682 weight 1.000 ! spec=13C_...woLP, no=2463, id=809, vol=5.298755e+07
    or (segid "   C" and resid   18 and name  HA2) (segid "   C" and resid   13 and name HG11)
    or (segid "   C" and resid   18 and name  HA2) (segid "   C" and resid   13 and name HG13)
assign (segid "   C" and resid   11 and name  HB2) (segid "   C" and resid   11 and name  HB1) 1.616 0.327 0.327 weight 1.000 ! spec=13C_...woLP, no=2503, id=812, vol=2.793344e+09
assign (segid "   C" and resid   28 and name  HB2) (segid "   C" and resid   29 and name HG22) 3.747 1.755 1.755 weight 1.000 ! spec=13C_...woLP, no=2525, id=813, vol=8.304459e+07
    or (segid "   C" and resid   28 and name  HB2) (segid "   C" and resid   29 and name HG21)
    or (segid "   C" and resid   28 and name  HB2) (segid "   C" and resid   29 and name HG23)
assign (segid "   C" and resid   29 and name HG22) (segid "   C" and resid   29 and name   HA) 2.552 0.814 0.814 weight 1.000 ! spec=13C_...woLP, no=2526, id=814, vol=5.188024e+08
    or (segid "   C" and resid   29 and name HG21) (segid "   C" and resid   29 and name   HA)
    or (segid "   C" and resid   29 and name HG23) (segid "   C" and resid   29 and name   HA)
assign (segid "   C" and resid   35 and name  HE1) (segid "   C" and resid   20 and name   HG) 3.441 1.480 1.480 weight 1.000 ! spec=13C_...woLP, no=2539, id=815, vol=6.293759e+07
assign (segid "   C" and resid   20 and name   HG) (segid "   C" and resid   20 and name HD22) 2.772 0.961 0.961 weight 1.000 ! spec=13C_...woLP, no=2540, id=816, vol=1.281284e+08
    or (segid "   C" and resid   20 and name   HG) (segid "   C" and resid   20 and name HD21)
    or (segid "   C" and resid   20 and name   HG) (segid "   C" and resid   20 and name HD23)
assign (segid "   C" and resid   50 and name   HA) (segid "   C" and resid   49 and name   HA) 3.807 1.812 1.812 weight 1.000 ! spec=13C_...woLP, no=2545, id=818, vol=5.042161e+07
assign (segid "   C" and resid   44 and name   HA) (segid "   C" and resid   44 and name HG21) 2.814 0.989 0.989 weight 1.000 ! spec=13C_...woLP, no=2598, id=823, vol=2.453770e+08
    or (segid "   C" and resid   44 and name   HA) (segid "   C" and resid   44 and name HG22)
    or (segid "   C" and resid   44 and name   HA) (segid "   C" and resid   44 and name HG23)
assign (segid "   C" and resid   43 and name   HA) (segid "   C" and resid   44 and name   HB) 3.870 1.872 1.872 weight 1.000 ! spec=13C_...woLP, no=2602, id=825, vol=7.580927e+07
assign (segid "   C" and resid   39 and name HG12) (segid "   C" and resid   38 and name   HA) 3.526 1.555 1.555 weight 1.000 ! spec=13C_...woLP, no=2603, id=826, vol=1.319606e+08
    or (segid "   C" and resid   39 and name HG11) (segid "   C" and resid   38 and name   HA)
    or (segid "   C" and resid   39 and name HG13) (segid "   C" and resid   38 and name   HA)
assign (segid "   C" and resid   45 and name  HG1) (segid "   C" and resid   45 and name  HB2) 3.400 1.445 1.445 weight 1.000 ! spec=13C_...woLP, no=2642, id=828, vol=4.419753e+07
assign (segid "   C" and resid   35 and name   HA) (segid "   C" and resid   35 and name  HB2) 2.332 0.680 0.680 weight 1.000 ! spec=13C_...woLP, no=2650, id=829, vol=5.924002e+08
assign (segid "   C" and resid   35 and name   HA) (segid "   C" and resid   35 and name  HB1) 2.831 1.001 1.001 weight 1.000 ! spec=13C_...woLP, no=2651, id=830, vol=4.199792e+08
assign (segid "   C" and resid    8 and name HD12) (segid "   C" and resid   28 and name   HA) 1.950 0.475 4.050 weight 1.000 ! spec=13C_...woLP, no=2664, id=832, vol=1.190295e+08
    or (segid "   C" and resid    8 and name HD11) (segid "   C" and resid   28 and name   HA)
    or (segid "   C" and resid    8 and name HD13) (segid "   C" and resid   28 and name   HA)
assign (segid "   C" and resid   19 and name  HG1) (segid "   C" and resid   19 and name   HA) 2.583 0.834 0.834 weight 1.000 ! spec=13C_...woLP, no=2689, id=836, vol=3.331503e+08
assign (segid "   C" and resid   19 and name  HB2) (segid "   C" and resid   19 and name  HG1) 3.308 1.368 1.368 weight 1.000 ! spec=13C_...woLP, no=2694, id=837, vol=1.979583e+08
assign (segid "   C" and resid   19 and name   HA) (segid "   C" and resid   19 and name  HB2) 2.755 0.949 0.949 weight 1.000 ! spec=13C_...woLP, no=2700, id=840, vol=2.635599e+08
assign (segid "   C" and resid   19 and name  HB1) (segid "   C" and resid   19 and name  HB2) 1.876 0.440 0.440 weight 1.000 ! spec=13C_...woLP, no=2701, id=841, vol=1.142578e+09
assign (segid "   C" and resid   34 and name  HB2) (segid "   C" and resid   34 and name  HB1) 1.874 0.439 0.439 weight 1.000 ! spec=13C_...woLP, no=2706, id=844, vol=1.051582e+09
assign (segid "   C" and resid   20 and name HD12) (segid "   C" and resid   34 and name  HB2) 3.505 1.536 1.536 weight 1.000 ! spec=13C_...woLP, no=2708, id=845, vol=9.937431e+07
    or (segid "   C" and resid   20 and name HD11) (segid "   C" and resid   34 and name  HB2)
    or (segid "   C" and resid   20 and name HD13) (segid "   C" and resid   34 and name  HB2)
assign (segid "   C" and resid   20 and name   HA) (segid "   C" and resid   20 and name HD22) 3.271 1.337 1.337 weight 1.000 ! spec=13C_...woLP, no=2717, id=849, vol=1.997830e+08
    or (segid "   C" and resid   20 and name   HA) (segid "   C" and resid   20 and name HD21)
    or (segid "   C" and resid   20 and name   HA) (segid "   C" and resid   20 and name HD23)
assign (segid "   C" and resid   35 and name  HE1) (segid "   C" and resid   20 and name   HA) 3.752 1.760 1.760 weight 1.000 ! spec=13C_...woLP, no=2724, id=852, vol=5.358378e+07
assign (segid "   C" and resid   20 and name   HA) (segid "   C" and resid   20 and name  HB1) 2.478 0.767 0.767 weight 1.000 ! spec=13C_...woLP, no=2725, id=853, vol=3.675623e+08
assign (segid "   C" and resid   11 and name  HB1) (segid "   C" and resid   11 and name   HA) 2.405 0.723 0.723 weight 1.000 ! spec=13C_...woLP, no=2731, id=854, vol=4.791132e+08
assign (segid "   C" and resid    8 and name   HA) (segid "   C" and resid    8 and name HD12) 3.224 1.299 1.299 weight 1.000 ! spec=13C_...woLP, no=2754, id=857, vol=1.879798e+08
    or (segid "   C" and resid    8 and name   HA) (segid "   C" and resid    8 and name HD11)
    or (segid "   C" and resid    8 and name   HA) (segid "   C" and resid    8 and name HD13)
assign (segid "   C" and resid   28 and name  HB1) (segid "   C" and resid   29 and name HG12) 3.124 1.220 1.220 weight 1.000 ! spec=13C_...woLP, no=2757, id=858, vol=1.562910e+08
    or (segid "   C" and resid   28 and name  HB1) (segid "   C" and resid   29 and name HG11)
    or (segid "   C" and resid   28 and name  HB1) (segid "   C" and resid   29 and name HG13)
assign (segid "   C" and resid   31 and name   HN) (segid "   C" and resid   32 and name   HN) 2.884 1.040 1.040 weight 1.000 ! spec=15N_...Y_FI, no=66, id=0, vol=3.556145e+07
assign (segid "   C" and resid   31 and name   HN) (segid "   C" and resid   30 and name   HN) 2.837 1.006 1.006 weight 1.000 ! spec=15N_...Y_FI, no=67, id=1, vol=3.804088e+07
assign (segid "   C" and resid   31 and name   HN) (segid "   C" and resid   29 and name   HN) 3.381 1.429 1.429 weight 1.000 ! spec=15N_...Y_FI, no=69, id=2, vol=2.363374e+07
assign (segid "   C" and resid   31 and name   HN) (segid "   C" and resid   30 and name   HA) 2.689 0.904 0.904 weight 1.000 ! spec=15N_...Y_FI, no=70, id=3, vol=5.321526e+07
assign (segid "   C" and resid   31 and name   HN) (segid "   C" and resid   29 and name   HA) 3.638 1.655 1.655 weight 1.000 ! spec=15N_...Y_FI, no=72, id=4, vol=1.144781e+07
assign (segid "   C" and resid   31 and name   HN) (segid "   C" and resid   31 and name   HA) 2.629 0.864 0.864 weight 1.000 ! spec=15N_...Y_FI, no=73, id=5, vol=6.605800e+07
assign (segid "   C" and resid   31 and name   HN) (segid "   C" and resid   31 and name  HB2) 2.255 0.635 0.635 weight 1.000 ! spec=15N_...Y_FI, no=74, id=6, vol=1.530862e+08
assign (segid "   C" and resid   31 and name   HN) (segid "   C" and resid   34 and name  HB2) 3.716 1.726 1.726 weight 1.000 ! spec=15N_...Y_FI, no=75, id=7, vol=1.971795e+07
assign (segid "   C" and resid   31 and name   HN) (segid "   C" and resid   31 and name  HB1) 2.389 0.713 0.713 weight 1.000 ! spec=15N_...Y_FI, no=76, id=8, vol=1.200304e+08
assign (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   29 and name   HA) 2.489 0.775 0.775 weight 1.000 ! spec=15N_...Y_FI, no=91, id=9, vol=8.591094e+07
assign (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   28 and name  HD1) 3.571 1.594 1.594 weight 1.000 ! spec=15N_...Y_FI, no=92, id=10, vol=2.149275e+07
assign (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   29 and name   HB) 2.529 0.799 3.471 weight 1.000 ! spec=15N_...Y_FI, no=97, id=11, vol=7.636408e+07
assign (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   28 and name  HG1) 2.634 0.867 0.867 weight 1.000 ! spec=15N_...Y_FI, no=99, id=12, vol=4.264706e+07
assign (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   29 and name HG12) 2.367 0.700 0.700 weight 1.000 ! spec=15N_...Y_FI, no=100, id=13, vol=1.004466e+08
    or (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   29 and name HG11)
    or (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   29 and name HG13)
assign (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   29 and name HG22) 2.855 1.019 1.019 weight 1.000 ! spec=15N_...Y_FI, no=102, id=14, vol=2.980588e+07
    or (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   29 and name HG21)
    or (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   29 and name HG23)
assign (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   27 and name   HN) 2.605 0.848 0.848 weight 1.000 ! spec=15N_...Y_FI, no=103, id=15, vol=5.182013e+07
assign (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   28 and name  HB2) 1.995 0.498 0.498 weight 1.000 ! spec=15N_...Y_FI, no=107, id=16, vol=1.876795e+08
assign (segid "   C" and resid    7 and name HD21) (segid "   C" and resid    7 and name HD22) 1.643 0.338 0.338 weight 1.000 ! spec=15N_...Y_FI, no=123, id=18, vol=4.365159e+08
assign (segid "   C" and resid    7 and name HD22) (segid "   C" and resid    7 and name  HB1) 3.860 1.862 1.862 weight 1.000 ! spec=15N_...Y_FI, no=126, id=19, vol=2.135079e+07
assign (segid "   C" and resid    7 and name HD21) (segid "   C" and resid    7 and name  HB1) 4.711 2.774 2.774 weight 1.000 ! spec=15N_...Y_FI, no=127, id=20, vol=8.438409e+06
assign (segid "   C" and resid    7 and name HD22) (segid "   C" and resid    7 and name  HB2) 2.685 0.901 0.901 weight 1.000 ! spec=15N_...Y_FI, no=128, id=21, vol=3.442534e+07
assign (segid "   C" and resid    7 and name HD21) (segid "   C" and resid    7 and name  HB2) 4.320 2.333 2.333 weight 1.000 ! spec=15N_...Y_FI, no=129, id=22, vol=1.230907e+07
assign (segid "   C" and resid    2 and name   HN) (segid "   C" and resid    2 and name  HB2) 4.106 2.107 2.107 weight 1.000 ! spec=15N_...Y_FI, no=153, id=23, vol=3.683938e+06
    or (segid "   C" and resid    2 and name   HN) (segid "   C" and resid    2 and name  HB1)
    or (segid "   C" and resid    2 and name   HN) (segid "   C" and resid    2 and name  HB3)
assign (segid "   C" and resid    6 and name   HN) (segid "   C" and resid    5 and name  HG1) 4.015 2.015 2.015 weight 1.000 ! spec=15N_...Y_FI, no=193, id=25, vol=1.200289e+07
assign (segid "   C" and resid    6 and name   HN) (segid "   C" and resid    5 and name  HB1) 3.814 1.819 1.819 weight 1.000 ! spec=15N_...Y_FI, no=194, id=26, vol=3.187837e+07
assign (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    8 and name   HA) 2.626 0.862 0.862 weight 1.000 ! spec=15N_...Y_FI, no=206, id=28, vol=5.622487e+07
assign (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    7 and name  HB1) 3.669 1.683 1.683 weight 1.000 ! spec=15N_...Y_FI, no=211, id=29, vol=2.499153e+07
assign (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    7 and name  HB2) 3.844 1.847 1.847 weight 1.000 ! spec=15N_...Y_FI, no=212, id=30, vol=2.475922e+07
assign (segid "   C" and resid    9 and name   HN) (segid "   C" and resid    8 and name   HA) 2.334 0.681 0.681 weight 1.000 ! spec=15N_...Y_FI, no=228, id=32, vol=9.124281e+07
assign (segid "   C" and resid   10 and name   HN) (segid "   C" and resid    9 and name   HN) 2.299 0.661 0.661 weight 1.000 ! spec=15N_...Y_FI, no=242, id=34, vol=8.240326e+07
assign (segid "   C" and resid   10 and name   HN) (segid "   C" and resid    9 and name   HA) 2.877 1.035 1.035 weight 1.000 ! spec=15N_...Y_FI, no=245, id=35, vol=4.818823e+07
assign (segid "   C" and resid   10 and name   HN) (segid "   C" and resid   10 and name   HA) 2.693 0.907 0.907 weight 1.000 ! spec=15N_...Y_FI, no=247, id=36, vol=5.500663e+07
assign (segid "   C" and resid   11 and name   HN) (segid "   C" and resid   12 and name   HN) 3.892 1.893 1.893 weight 1.000 ! spec=15N_...Y_FI, no=265, id=38, vol=1.232001e+07
assign (segid "   C" and resid   11 and name   HN) (segid "   C" and resid   10 and name   HA) 2.506 0.785 3.494 weight 1.000 ! spec=15N_...Y_FI, no=270, id=40, vol=1.090378e+08
assign (segid "   C" and resid   11 and name   HN) (segid "   C" and resid   11 and name  HB2) 2.429 0.738 0.738 weight 1.000 ! spec=15N_...Y_FI, no=273, id=41, vol=1.381401e+08
assign (segid "   C" and resid   11 and name   HN) (segid "   C" and resid   11 and name  HB1) 2.266 0.642 0.642 weight 1.000 ! spec=15N_...Y_FI, no=274, id=42, vol=1.116652e+08
assign (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   11 and name   HA) 2.151 0.579 0.579 weight 1.000 ! spec=15N_...Y_FI, no=284, id=47, vol=1.715654e+08
assign (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   12 and name   HA) 2.854 1.018 1.018 weight 1.000 ! spec=15N_...Y_FI, no=286, id=48, vol=3.933782e+07
assign (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   13 and name   HA) 4.728 2.794 2.794 weight 1.000 ! spec=15N_...Y_FI, no=288, id=49, vol=6.289218e+06
assign (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   11 and name  HB2) 4.081 2.082 2.082 weight 1.000 ! spec=15N_...Y_FI, no=290, id=50, vol=9.794557e+06
assign (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   11 and name  HB1) 4.204 2.209 2.209 weight 1.000 ! spec=15N_...Y_FI, no=291, id=51, vol=1.639430e+07
assign (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   12 and name  HG2) 4.123 2.124 2.124 weight 1.000 ! spec=15N_...Y_FI, no=292, id=52, vol=2.779138e+07
assign (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   12 and name  HB1) 2.411 0.726 0.726 weight 1.000 ! spec=15N_...Y_FI, no=293, id=53, vol=9.123203e+07
assign (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   13 and name   HB) 4.542 2.578 2.578 weight 1.000 ! spec=15N_...Y_FI, no=294, id=54, vol=7.330128e+06
assign (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   13 and name HG12) 4.187 2.192 2.192 weight 1.000 ! spec=15N_...Y_FI, no=295, id=55, vol=9.577043e+06
    or (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   13 and name HG11)
    or (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   13 and name HG13)
assign (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   13 and name   HN) 2.420 0.732 0.732 weight 1.000 ! spec=15N_...Y_FI, no=296, id=56, vol=8.541977e+07
assign (segid "   C" and resid   13 and name   HN) (segid "   C" and resid   14 and name   HN) 2.286 0.653 0.653 weight 1.000 ! spec=15N_...Y_FI, no=298, id=57, vol=1.091993e+08
assign (segid "   C" and resid   13 and name   HN) (segid "   C" and resid   11 and name   HA) 3.334 1.389 1.389 weight 1.000 ! spec=15N_...Y_FI, no=302, id=58, vol=2.352526e+07
assign (segid "   C" and resid   13 and name   HN) (segid "   C" and resid   12 and name   HA) 3.097 1.199 1.199 weight 1.000 ! spec=15N_...Y_FI, no=305, id=59, vol=2.876722e+07
assign (segid "   C" and resid   13 and name   HN) (segid "   C" and resid   13 and name   HA) 2.621 0.859 0.859 weight 1.000 ! spec=15N_...Y_FI, no=306, id=60, vol=6.184908e+07
assign (segid "   C" and resid   13 and name   HN) (segid "   C" and resid   11 and name  HB2) 3.461 1.497 1.497 weight 1.000 ! spec=15N_...Y_FI, no=308, id=61, vol=1.908854e+07
assign (segid "   C" and resid   13 and name   HN) (segid "   C" and resid   11 and name  HB1) 4.044 2.044 2.044 weight 1.000 ! spec=15N_...Y_FI, no=309, id=62, vol=1.357435e+07
assign (segid "   C" and resid   13 and name   HN) (segid "   C" and resid   12 and name  HG1) 3.891 1.892 1.892 weight 1.000 ! spec=15N_...Y_FI, no=310, id=63, vol=1.139659e+07
assign (segid "   C" and resid   13 and name   HN) (segid "   C" and resid   12 and name  HB1) 2.506 0.785 0.785 weight 1.000 ! spec=15N_...Y_FI, no=311, id=64, vol=6.262392e+07
assign (segid "   C" and resid   13 and name   HN) (segid "   C" and resid   13 and name   HB) 2.153 0.579 0.579 weight 1.000 ! spec=15N_...Y_FI, no=312, id=65, vol=1.700889e+08
assign (segid "   C" and resid   13 and name   HN) (segid "   C" and resid   13 and name HG12) 2.121 0.563 0.563 weight 1.000 ! spec=15N_...Y_FI, no=313, id=66, vol=1.777748e+08
    or (segid "   C" and resid   13 and name   HN) (segid "   C" and resid   13 and name HG11)
    or (segid "   C" and resid   13 and name   HN) (segid "   C" and resid   13 and name HG13)
assign (segid "   C" and resid   13 and name   HN) (segid "   C" and resid   13 and name HG22) 3.273 1.339 1.339 weight 1.000 ! spec=15N_...Y_FI, no=314, id=67, vol=4.191250e+07
    or (segid "   C" and resid   13 and name   HN) (segid "   C" and resid   13 and name HG21)
    or (segid "   C" and resid   13 and name   HN) (segid "   C" and resid   13 and name HG23)
assign (segid "   C" and resid   16 and name   HN) (segid "   C" and resid   14 and name   HN) 4.086 2.087 2.087 weight 1.000 ! spec=15N_...Y_FI, no=321, id=69, vol=7.060058e+06
assign (segid "   C" and resid   16 and name   HN) (segid "   C" and resid   18 and name   HN) 3.124 1.220 1.220 weight 1.000 ! spec=15N_...Y_FI, no=322, id=70, vol=3.381417e+07
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   15 and name   HN) 2.464 0.759 0.759 weight 1.000 ! spec=15N_...Y_FI, no=323, id=71, vol=6.907666e+07
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   14 and name   HA) 2.797 0.978 0.978 weight 1.000 ! spec=15N_...Y_FI, no=325, id=72, vol=4.212866e+07
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   14 and name  HB2) 2.122 0.563 0.563 weight 1.000 ! spec=15N_...Y_FI, no=329, id=73, vol=1.077446e+08
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   14 and name  HB1) 3.448 1.486 1.486 weight 1.000 ! spec=15N_...Y_FI, no=330, id=74, vol=5.950369e+07
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   13 and name   HB) 2.725 0.928 3.275 weight 1.000 ! spec=15N_...Y_FI, no=334, id=76, vol=7.911197e+07
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   13 and name HG12) 2.821 0.994 0.994 weight 1.000 ! spec=15N_...Y_FI, no=335, id=77, vol=2.496819e+07
    or (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   13 and name HG11)
    or (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   13 and name HG13)
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   13 and name HG22) 3.042 1.156 1.156 weight 1.000 ! spec=15N_...Y_FI, no=336, id=78, vol=2.734984e+07
    or (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   13 and name HG21)
    or (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   13 and name HG23)
assign (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   15 and name   HA) 2.515 0.791 0.791 weight 1.000 ! spec=15N_...Y_FI, no=339, id=80, vol=8.632714e+07
assign (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   14 and name   HA) 3.001 1.126 1.126 weight 1.000 ! spec=15N_...Y_FI, no=340, id=81, vol=3.466626e+07
assign (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   13 and name   HA) 3.540 1.567 1.567 weight 1.000 ! spec=15N_...Y_FI, no=341, id=82, vol=1.382815e+07
assign (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   14 and name  HB2) 2.472 0.764 0.764 weight 1.000 ! spec=15N_...Y_FI, no=342, id=83, vol=7.812683e+07
assign (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   14 and name  HB1) 2.884 1.040 1.040 weight 1.000 ! spec=15N_...Y_FI, no=343, id=84, vol=4.918833e+07
assign (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   16 and name  HB2) 4.250 2.257 2.257 weight 1.000 ! spec=15N_...Y_FI, no=344, id=85, vol=1.277719e+07
assign (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   13 and name   HB) 3.856 1.858 1.858 weight 1.000 ! spec=15N_...Y_FI, no=348, id=87, vol=1.542720e+07
assign (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   13 and name HG12) 4.190 2.195 2.195 weight 1.000 ! spec=15N_...Y_FI, no=349, id=88, vol=1.257630e+07
    or (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   13 and name HG11)
    or (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   13 and name HG13)
assign (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   13 and name HG22) 4.130 2.133 2.133 weight 1.000 ! spec=15N_...Y_FI, no=351, id=89, vol=7.867965e+06
    or (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   13 and name HG21)
    or (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   13 and name HG23)
assign (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   16 and name   HN) 2.436 0.742 0.742 weight 1.000 ! spec=15N_...Y_FI, no=353, id=90, vol=8.192467e+07
assign (segid "   C" and resid   16 and name   HN) (segid "   C" and resid   17 and name   HN) 2.396 0.717 0.717 weight 1.000 ! spec=15N_...Y_FI, no=354, id=91, vol=9.305057e+07
assign (segid "   C" and resid   16 and name   HN) (segid "   C" and resid   16 and name   HA) 2.725 0.929 0.929 weight 1.000 ! spec=15N_...Y_FI, no=358, id=92, vol=5.792242e+07
assign (segid "   C" and resid   16 and name   HN) (segid "   C" and resid   15 and name   HA) 3.100 1.201 1.201 weight 1.000 ! spec=15N_...Y_FI, no=359, id=93, vol=3.223410e+07
assign (segid "   C" and resid   16 and name   HN) (segid "   C" and resid   14 and name   HA) 3.605 1.624 1.624 weight 1.000 ! spec=15N_...Y_FI, no=360, id=94, vol=1.420752e+07
assign (segid "   C" and resid   16 and name   HN) (segid "   C" and resid   13 and name   HA) 2.935 1.077 1.077 weight 1.000 ! spec=15N_...Y_FI, no=362, id=95, vol=3.666270e+07
assign (segid "   C" and resid   16 and name   HN) (segid "   C" and resid   16 and name  HB1) 2.958 1.094 1.094 weight 1.000 ! spec=15N_...Y_FI, no=366, id=96, vol=5.614419e+07
assign (segid "   C" and resid   16 and name   HN) (segid "   C" and resid   16 and name  HB2) 2.185 0.597 0.597 weight 1.000 ! spec=15N_...Y_FI, no=368, id=97, vol=1.396096e+08
assign (segid "   C" and resid   16 and name   HN) (segid "   C" and resid   15 and name  HG2) 3.374 1.423 1.423 weight 1.000 ! spec=15N_...Y_FI, no=375, id=99, vol=2.301165e+07
assign (segid "   C" and resid   16 and name   HN) (segid "   C" and resid   13 and name HG22) 3.997 1.997 1.997 weight 1.000 ! spec=15N_...Y_FI, no=378, id=100, vol=1.006138e+07
    or (segid "   C" and resid   16 and name   HN) (segid "   C" and resid   13 and name HG21)
    or (segid "   C" and resid   16 and name   HN) (segid "   C" and resid   13 and name HG23)
assign (segid "   C" and resid   16 and name   HN) (segid "   C" and resid   13 and name HG12) 4.226 2.232 2.232 weight 1.000 ! spec=15N_...Y_FI, no=379, id=101, vol=9.128546e+06
    or (segid "   C" and resid   16 and name   HN) (segid "   C" and resid   13 and name HG11)
    or (segid "   C" and resid   16 and name   HN) (segid "   C" and resid   13 and name HG13)
assign (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   18 and name   HN) 2.364 0.698 0.698 weight 1.000 ! spec=15N_...Y_FI, no=382, id=103, vol=1.006933e+08
assign (segid "   C" and resid   34 and name   HN) (segid "   C" and resid   35 and name   HN) 2.499 0.781 0.781 weight 1.000 ! spec=15N_...Y_FI, no=385, id=104, vol=8.186798e+07
assign (segid "   C" and resid   34 and name   HN) (segid "   C" and resid   32 and name   HN) 2.815 0.991 0.991 weight 1.000 ! spec=15N_...Y_FI, no=386, id=105, vol=5.109815e+07
assign (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   16 and name   HA) 3.040 1.155 1.155 weight 1.000 ! spec=15N_...Y_FI, no=389, id=107, vol=3.107500e+07
assign (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   17 and name  HA1) 2.834 1.004 1.004 weight 1.000 ! spec=15N_...Y_FI, no=390, id=108, vol=8.034096e+07
assign (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   15 and name   HA) 3.138 1.231 1.231 weight 1.000 ! spec=15N_...Y_FI, no=391, id=109, vol=2.184287e+07
assign (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   17 and name  HA2) 2.247 0.631 0.631 weight 1.000 ! spec=15N_...Y_FI, no=392, id=110, vol=1.312407e+08
assign (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   18 and name  HA2) 4.410 2.432 2.432 weight 1.000 ! spec=15N_...Y_FI, no=394, id=111, vol=1.581241e+07
assign (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   16 and name  HB1) 4.007 2.007 2.007 weight 1.000 ! spec=15N_...Y_FI, no=395, id=112, vol=1.421588e+07
assign (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   16 and name  HB2) 3.489 1.521 1.521 weight 1.000 ! spec=15N_...Y_FI, no=396, id=113, vol=1.588758e+07
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   14 and name   HA) 2.829 1.001 1.001 weight 1.000 ! spec=15N_...Y_FI, no=407, id=117, vol=4.142420e+07
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   18 and name  HA1) 2.638 0.870 0.870 weight 1.000 ! spec=15N_...Y_FI, no=408, id=118, vol=8.996064e+07
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   17 and name  HA2) 3.244 1.315 1.315 weight 1.000 ! spec=15N_...Y_FI, no=409, id=119, vol=2.235355e+07
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   18 and name  HA2) 2.138 0.571 0.571 weight 1.000 ! spec=15N_...Y_FI, no=410, id=120, vol=1.460386e+08
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   16 and name  HB1) 4.039 2.039 2.039 weight 1.000 ! spec=15N_...Y_FI, no=411, id=121, vol=1.353166e+07
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   16 and name  HB2) 3.360 1.411 1.411 weight 1.000 ! spec=15N_...Y_FI, no=412, id=122, vol=1.251585e+07
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   13 and name HG22) 3.121 1.218 1.218 weight 1.000 ! spec=15N_...Y_FI, no=413, id=123, vol=4.391630e+07
    or (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   13 and name HG21)
    or (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   13 and name HG23)
assign (segid "   C" and resid   51 and name   HN) (segid "   C" and resid   49 and name   HA) 3.972 1.972 1.972 weight 1.000 ! spec=15N_...Y_FI, no=419, id=124, vol=8.314085e+06
assign (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   18 and name  HA2) 2.545 0.809 0.809 weight 1.000 ! spec=15N_...Y_FI, no=422, id=125, vol=9.690960e+07
assign (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   13 and name HG22) 3.719 1.729 1.729 weight 1.000 ! spec=15N_...Y_FI, no=429, id=127, vol=1.890010e+07
    or (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   13 and name HG21)
    or (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   13 and name HG23)
assign (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   20 and name HD12) 4.193 2.198 2.198 weight 1.000 ! spec=15N_...Y_FI, no=435, id=128, vol=1.762012e+07
    or (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   20 and name HD11)
    or (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   20 and name HD13)
assign (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   20 and name  HB1) 2.349 0.690 0.690 weight 1.000 ! spec=15N_...Y_FI, no=437, id=129, vol=1.122054e+08
assign (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   20 and name   HA) 2.944 1.084 1.084 weight 1.000 ! spec=15N_...Y_FI, no=441, id=131, vol=3.068706e+07
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   26 and name   HN) 2.462 0.758 0.758 weight 1.000 ! spec=15N_...Y_FI, no=485, id=132, vol=7.709949e+07
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   24 and name   HN) 2.701 0.912 0.912 weight 1.000 ! spec=15N_...Y_FI, no=486, id=133, vol=4.945302e+07
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   25 and name   HB) 2.243 0.629 0.629 weight 1.000 ! spec=15N_...Y_FI, no=488, id=134, vol=1.471230e+08
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   25 and name   HA) 2.530 0.800 0.800 weight 1.000 ! spec=15N_...Y_FI, no=490, id=135, vol=7.678130e+07
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   24 and name  HB2) 2.564 0.821 0.821 weight 1.000 ! spec=15N_...Y_FI, no=492, id=136, vol=7.756893e+07
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   25 and name HG21) 3.569 1.592 1.592 weight 1.000 ! spec=15N_...Y_FI, no=493, id=137, vol=3.586071e+07
    or (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   25 and name HG22)
    or (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   25 and name HG23)
assign (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   25 and name   HB) 2.500 0.781 0.781 weight 1.000 ! spec=15N_...Y_FI, no=498, id=140, vol=6.375367e+07
assign (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   26 and name   HA) 2.857 1.020 1.020 weight 1.000 ! spec=15N_...Y_FI, no=500, id=141, vol=3.340679e+07
assign (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   25 and name HG21) 3.668 1.682 1.682 weight 1.000 ! spec=15N_...Y_FI, no=502, id=143, vol=1.866058e+07
    or (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   25 and name HG22)
    or (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   25 and name HG23)
assign (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   27 and name   HN) 2.632 0.866 0.866 weight 1.000 ! spec=15N_...Y_FI, no=503, id=144, vol=4.814748e+07
assign (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   27 and name   HA) 2.733 0.934 0.934 weight 1.000 ! spec=15N_...Y_FI, no=507, id=146, vol=5.093609e+07
assign (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   27 and name  HB1) 2.335 0.681 0.681 weight 1.000 ! spec=15N_...Y_FI, no=508, id=147, vol=1.088827e+08
assign (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   26 and name  HB1) 2.645 0.875 0.875 weight 1.000 ! spec=15N_...Y_FI, no=509, id=148, vol=3.847917e+07
assign (segid "   C" and resid   32 and name   HN) (segid "   C" and resid   32 and name   HA) 2.730 0.932 0.932 weight 1.000 ! spec=15N_...Y_FI, no=596, id=151, vol=5.039115e+07
assign (segid "   C" and resid   32 and name   HN) (segid "   C" and resid   31 and name   HA) 3.428 1.469 1.469 weight 1.000 ! spec=15N_...Y_FI, no=598, id=152, vol=1.644001e+07
assign (segid "   C" and resid   32 and name   HN) (segid "   C" and resid   31 and name  HB2) 3.871 1.873 1.873 weight 1.000 ! spec=15N_...Y_FI, no=599, id=153, vol=3.003697e+07
assign (segid "   C" and resid   32 and name   HN) (segid "   C" and resid   31 and name  HB1) 2.360 0.696 0.696 weight 1.000 ! spec=15N_...Y_FI, no=600, id=154, vol=7.922076e+07
assign (segid "   C" and resid   32 and name   HN) (segid "   C" and resid   34 and name  HB2) 3.885 1.887 1.887 weight 1.000 ! spec=15N_...Y_FI, no=601, id=155, vol=8.914544e+06
assign (segid "   C" and resid   32 and name   HN) (segid "   C" and resid   33 and name  HB2) 4.292 2.303 2.303 weight 1.000 ! spec=15N_...Y_FI, no=602, id=156, vol=8.116721e+06
assign (segid "   C" and resid   32 and name   HN) (segid "   C" and resid   32 and name  HG1) 3.441 1.480 1.480 weight 1.000 ! spec=15N_...Y_FI, no=603, id=157, vol=5.374934e+07
assign (segid "   C" and resid   32 and name   HN) (segid "   C" and resid   32 and name  HB1) 2.226 0.619 0.619 weight 1.000 ! spec=15N_...Y_FI, no=605, id=158, vol=1.308371e+08
assign (segid "   C" and resid   32 and name   HN) (segid "   C" and resid   33 and name   HN) 2.471 0.763 0.763 weight 1.000 ! spec=15N_...Y_FI, no=612, id=159, vol=8.830758e+07
assign (segid "   C" and resid   33 and name   HN) (segid "   C" and resid   30 and name   HA) 3.860 1.863 1.863 weight 1.000 ! spec=15N_...Y_FI, no=619, id=161, vol=7.866801e+06
assign (segid "   C" and resid   33 and name   HN) (segid "   C" and resid   33 and name   HA) 2.703 0.913 0.913 weight 1.000 ! spec=15N_...Y_FI, no=622, id=162, vol=5.304209e+07
assign (segid "   C" and resid   33 and name   HN) (segid "   C" and resid   32 and name   HA) 3.332 1.388 1.388 weight 1.000 ! spec=15N_...Y_FI, no=625, id=163, vol=2.241687e+07
assign (segid "   C" and resid   33 and name   HN) (segid "   C" and resid   34 and name  HB2) 4.434 2.457 2.457 weight 1.000 ! spec=15N_...Y_FI, no=626, id=164, vol=9.204636e+06
assign (segid "   C" and resid   33 and name   HN) (segid "   C" and resid   30 and name  HB2) 3.442 1.481 1.481 weight 1.000 ! spec=15N_...Y_FI, no=627, id=165, vol=1.756831e+07
assign (segid "   C" and resid   33 and name   HN) (segid "   C" and resid   33 and name  HB2) 2.244 0.629 0.629 weight 1.000 ! spec=15N_...Y_FI, no=628, id=166, vol=1.026869e+08
assign (segid "   C" and resid   33 and name   HN) (segid "   C" and resid   32 and name  HB1) 2.423 0.734 0.734 weight 1.000 ! spec=15N_...Y_FI, no=630, id=168, vol=9.275589e+07
assign (segid "   C" and resid   34 and name   HN) (segid "   C" and resid   34 and name   HA) 2.781 0.967 0.967 weight 1.000 ! spec=15N_...Y_FI, no=636, id=169, vol=4.886602e+07
assign (segid "   C" and resid   34 and name   HN) (segid "   C" and resid   33 and name   HA) 3.314 1.373 1.373 weight 1.000 ! spec=15N_...Y_FI, no=637, id=170, vol=1.886150e+07
assign (segid "   C" and resid   34 and name   HN) (segid "   C" and resid   31 and name   HA) 3.299 1.360 1.360 weight 1.000 ! spec=15N_...Y_FI, no=640, id=171, vol=2.494276e+07
assign (segid "   C" and resid   34 and name   HN) (segid "   C" and resid   34 and name  HB2) 2.216 0.614 0.614 weight 1.000 ! spec=15N_...Y_FI, no=641, id=172, vol=1.160782e+08
assign (segid "   C" and resid   34 and name   HN) (segid "   C" and resid   33 and name  HB2) 2.650 0.878 0.878 weight 1.000 ! spec=15N_...Y_FI, no=643, id=173, vol=4.580408e+07
assign (segid "   C" and resid   34 and name   HN) (segid "   C" and resid   34 and name  HB1) 3.222 1.297 1.297 weight 1.000 ! spec=15N_...Y_FI, no=644, id=174, vol=5.829427e+07
assign (segid "   C" and resid   34 and name   HN) (segid "   C" and resid   32 and name  HB1) 4.076 2.077 2.077 weight 1.000 ! spec=15N_...Y_FI, no=645, id=175, vol=1.361621e+07
assign (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   33 and name   HA) 4.029 2.029 2.029 weight 1.000 ! spec=15N_...Y_FI, no=653, id=177, vol=6.837500e+06
assign (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   36 and name   HA) 2.961 1.096 1.096 weight 1.000 ! spec=15N_...Y_FI, no=654, id=178, vol=2.690326e+07
assign (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   36 and name   HB) 2.627 0.863 0.863 weight 1.000 ! spec=15N_...Y_FI, no=658, id=179, vol=5.988450e+07
assign (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   36 and name HG12) 2.849 1.014 1.014 weight 1.000 ! spec=15N_...Y_FI, no=660, id=180, vol=3.190968e+07
assign (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   36 and name HG11) 3.480 1.514 1.514 weight 1.000 ! spec=15N_...Y_FI, no=663, id=181, vol=2.314864e+07
assign (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   36 and name HG22) 3.804 1.808 1.808 weight 1.000 ! spec=15N_...Y_FI, no=664, id=182, vol=1.934451e+07
    or (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   36 and name HG21)
    or (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   36 and name HG23)
assign (segid "   C" and resid   53 and name   HN) (segid "   C" and resid   53 and name   HA) 2.784 0.969 0.969 weight 1.000 ! spec=15N_...Y_FI, no=831, id=184, vol=4.332568e+07
assign (segid "   C" and resid   53 and name   HN) (segid "   C" and resid   52 and name   HA) 2.867 1.027 1.027 weight 1.000 ! spec=15N_...Y_FI, no=832, id=185, vol=4.033005e+07
assign (segid "   C" and resid   56 and name   HN) (segid "   C" and resid   55 and name   HA) 2.304 0.664 0.664 weight 1.000 ! spec=15N_...Y_FI, no=861, id=188, vol=1.272907e+08
assign (segid "   C" and resid   56 and name   HN) (segid "   C" and resid   55 and name  HB1) 3.119 1.216 1.216 weight 1.000 ! spec=15N_...Y_FI, no=866, id=190, vol=2.868491e+07
assign (segid "   C" and resid   56 and name   HN) (segid "   C" and resid   55 and name  HB2) 3.931 1.931 1.931 weight 1.000 ! spec=15N_...Y_FI, no=868, id=191, vol=2.265625e+07
assign (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   19 and name  HB2) 2.549 0.812 0.812 weight 1.000 ! spec=15N_...Y_FI, no=939, id=197, vol=6.576656e+07
assign (segid "   C" and resid   51 and name   HN) (segid "   C" and resid   50 and name  HB1) 3.962 1.962 1.962 weight 1.000 ! spec=15N_...Y_FI, no=946, id=198, vol=1.483791e+07
assign (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   35 and name  HD1) 3.807 1.812 1.812 weight 1.000 ! spec=15N_...Y_FI, no=949, id=199, vol=7.859088e+06
assign (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   20 and name  HB2) 2.999 1.124 1.124 weight 1.000 ! spec=15N_...Y_FI, no=951, id=200, vol=3.516249e+07
assign (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   19 and name   HA) 2.075 0.538 0.538 weight 1.000 ! spec=15N_...Y_FI, no=956, id=201, vol=2.104328e+08
assign (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   21 and name   HA) 3.447 1.485 1.485 weight 1.000 ! spec=15N_...Y_FI, no=962, id=202, vol=1.227200e+07
assign (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   20 and name   HA) 2.565 0.822 0.822 weight 1.000 ! spec=15N_...Y_FI, no=963, id=203, vol=5.800730e+07
assign (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   21 and name  HB2) 4.338 2.353 2.353 weight 1.000 ! spec=15N_...Y_FI, no=964, id=204, vol=1.020166e+07
assign (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   21 and name  HB1) 2.936 1.077 1.077 weight 1.000 ! spec=15N_...Y_FI, no=966, id=205, vol=2.480269e+07
assign (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   20 and name  HB2) 3.764 1.771 1.771 weight 1.000 ! spec=15N_...Y_FI, no=968, id=206, vol=1.215373e+07
assign (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   22 and name   HN) 3.398 1.443 1.443 weight 1.000 ! spec=15N_...Y_FI, no=971, id=207, vol=1.262160e+07
assign (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   22 and name   HA) 3.337 1.392 1.392 weight 1.000 ! spec=15N_...Y_FI, no=973, id=208, vol=1.235622e+07
assign (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   21 and name   HA) 3.375 1.424 1.424 weight 1.000 ! spec=15N_...Y_FI, no=975, id=209, vol=1.156988e+07
assign (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   22 and name  HB1) 4.088 2.089 2.089 weight 1.000 ! spec=15N_...Y_FI, no=977, id=210, vol=1.110905e+07
assign (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   22 and name  HB2) 2.998 1.123 1.123 weight 1.000 ! spec=15N_...Y_FI, no=980, id=211, vol=2.211730e+07
assign (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   20 and name  HB2) 3.058 1.169 1.169 weight 1.000 ! spec=15N_...Y_FI, no=982, id=212, vol=2.550072e+07
assign (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   46 and name  HH2) 4.233 2.240 2.240 weight 1.000 ! spec=15N_...Y_FI, no=987, id=213, vol=5.210137e+06
assign (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   22 and name   HA) 2.935 1.077 1.077 weight 1.000 ! spec=15N_...Y_FI, no=988, id=214, vol=2.317731e+07
assign (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   23 and name   HA) 3.341 1.395 1.395 weight 1.000 ! spec=15N_...Y_FI, no=989, id=215, vol=1.201952e+07
assign (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   23 and name  HB2) 4.500 2.532 2.532 weight 1.000 ! spec=15N_...Y_FI, no=991, id=217, vol=6.380814e+06
assign (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   23 and name  HB1) 2.883 1.039 1.039 weight 1.000 ! spec=15N_...Y_FI, no=992, id=218, vol=2.321553e+07
assign (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   48 and name  HB1) 3.108 1.207 1.207 weight 1.000 ! spec=15N_...Y_FI, no=993, id=219, vol=1.672229e+07
assign (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   22 and name  HB2) 4.655 2.709 2.709 weight 1.000 ! spec=15N_...Y_FI, no=994, id=220, vol=7.371861e+06
assign (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   23 and name   HA) 3.007 1.130 1.130 weight 1.000 ! spec=15N_...Y_FI, no=1000, id=221, vol=2.758174e+07
assign (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   24 and name   HA) 3.354 1.406 1.406 weight 1.000 ! spec=15N_...Y_FI, no=1002, id=222, vol=1.584072e+07
assign (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   23 and name  HB2) 2.907 1.056 1.056 weight 1.000 ! spec=15N_...Y_FI, no=1003, id=223, vol=2.440832e+07
assign (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   23 and name  HB1) 4.046 2.046 2.046 weight 1.000 ! spec=15N_...Y_FI, no=1004, id=224, vol=1.426616e+07
assign (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   29 and name   HN) 2.675 0.894 0.894 weight 1.000 ! spec=15N_...Y_FI, no=1013, id=227, vol=4.995936e+07
assign (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   30 and name  HD1) 4.074 2.075 2.075 weight 1.000 ! spec=15N_...Y_FI, no=1015, id=228, vol=1.106226e+07
    or (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   30 and name  HD2)
assign (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   30 and name   HA) 3.562 1.586 1.586 weight 1.000 ! spec=15N_...Y_FI, no=1016, id=229, vol=1.063522e+07
assign (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   29 and name   HA) 3.480 1.513 1.513 weight 1.000 ! spec=15N_...Y_FI, no=1018, id=230, vol=1.588459e+07
assign (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   30 and name  HB2) 4.241 2.249 2.249 weight 1.000 ! spec=15N_...Y_FI, no=1019, id=231, vol=9.388025e+06
assign (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   30 and name  HB1) 3.129 1.224 1.224 weight 1.000 ! spec=15N_...Y_FI, no=1022, id=232, vol=1.713983e+07
assign (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   29 and name   HB) 3.108 1.208 1.208 weight 1.000 ! spec=15N_...Y_FI, no=1023, id=233, vol=2.389652e+07
assign (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   29 and name HG12) 4.041 2.041 2.041 weight 1.000 ! spec=15N_...Y_FI, no=1025, id=234, vol=1.269358e+07
    or (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   29 and name HG11)
    or (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   29 and name HG13)
assign (segid "   C" and resid   33 and name   HN) (segid "   C" and resid   36 and name HD12) 4.023 2.024 2.024 weight 1.000 ! spec=15N_...Y_FI, no=1043, id=235, vol=9.716106e+06
    or (segid "   C" and resid   33 and name   HN) (segid "   C" and resid   36 and name HD11)
    or (segid "   C" and resid   33 and name   HN) (segid "   C" and resid   36 and name HD13)
assign (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   28 and name   HA) 3.110 1.209 1.209 weight 1.000 ! spec=15N_...Y_FI, no=1050, id=236, vol=2.808999e+07
assign (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   28 and name  HD1) 4.206 2.211 2.211 weight 1.000 ! spec=15N_...Y_FI, no=1053, id=237, vol=1.181348e+07
assign (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   28 and name  HB2) 2.541 0.807 0.807 weight 1.000 ! spec=15N_...Y_FI, no=1056, id=238, vol=5.368798e+07
assign (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   28 and name  HB1) 3.250 1.321 1.321 weight 1.000 ! spec=15N_...Y_FI, no=1057, id=239, vol=3.454646e+07
assign (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   28 and name  HG1) 4.581 2.623 2.623 weight 1.000 ! spec=15N_...Y_FI, no=1058, id=240, vol=7.072897e+06
assign (segid "   C" and resid   34 and name   HN) (segid "   C" and resid   35 and name  HB2) 4.502 2.534 2.534 weight 1.000 ! spec=15N_...Y_FI, no=1070, id=241, vol=1.306342e+07
assign (segid "   C" and resid   35 and name   HN) (segid "   C" and resid   35 and name   HA) 3.305 1.366 1.366 weight 1.000 ! spec=15N_...Y_FI, no=1080, id=243, vol=1.792981e+07
assign (segid "   C" and resid   35 and name   HN) (segid "   C" and resid   34 and name   HA) 3.672 1.686 1.686 weight 1.000 ! spec=15N_...Y_FI, no=1082, id=244, vol=1.035577e+07
assign (segid "   C" and resid   35 and name   HN) (segid "   C" and resid   35 and name  HB2) 3.856 1.858 1.858 weight 1.000 ! spec=15N_...Y_FI, no=1085, id=245, vol=2.336039e+07
assign (segid "   C" and resid   35 and name   HN) (segid "   C" and resid   35 and name  HB1) 2.569 0.825 0.825 weight 1.000 ! spec=15N_...Y_FI, no=1086, id=246, vol=5.440828e+07
assign (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   43 and name   HN) 3.136 1.230 1.230 weight 1.000 ! spec=15N_...Y_FI, no=1124, id=247, vol=2.398583e+07
assign (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   42 and name   HA) 3.286 1.349 1.349 weight 1.000 ! spec=15N_...Y_FI, no=1127, id=248, vol=1.483876e+07
assign (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   41 and name   HA) 3.080 1.186 1.186 weight 1.000 ! spec=15N_...Y_FI, no=1128, id=249, vol=2.481304e+07
assign (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   41 and name  HB2) 3.572 1.595 1.595 weight 1.000 ! spec=15N_...Y_FI, no=1134, id=252, vol=1.629384e+07
    or (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   41 and name  HB1)
    or (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   41 and name  HB3)
assign (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   42 and name   HA) 3.154 1.243 1.243 weight 1.000 ! spec=15N_...Y_FI, no=1138, id=254, vol=1.837154e+07
assign (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   43 and name   HA) 3.339 1.393 1.393 weight 1.000 ! spec=15N_...Y_FI, no=1139, id=255, vol=1.217779e+07
assign (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   43 and name   HN) 2.838 1.007 1.007 weight 1.000 ! spec=15N_...Y_FI, no=1153, id=257, vol=3.068936e+07
assign (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   44 and name   HA) 3.201 1.281 1.281 weight 1.000 ! spec=15N_...Y_FI, no=1160, id=258, vol=1.624634e+07
assign (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   43 and name   HA) 2.813 0.989 0.989 weight 1.000 ! spec=15N_...Y_FI, no=1161, id=259, vol=3.022890e+07
assign (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   44 and name   HB) 3.801 1.806 1.806 weight 1.000 ! spec=15N_...Y_FI, no=1162, id=260, vol=1.480577e+07
assign (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   43 and name  HB2) 4.084 2.085 2.085 weight 1.000 ! spec=15N_...Y_FI, no=1169, id=261, vol=1.129684e+07
assign (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   43 and name  HB1) 3.903 1.904 1.904 weight 1.000 ! spec=15N_...Y_FI, no=1170, id=262, vol=8.497641e+06
assign (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   44 and name HG21) 3.494 1.526 1.526 weight 1.000 ! spec=15N_...Y_FI, no=1174, id=263, vol=1.286676e+07
    or (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   44 and name HG22)
    or (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   44 and name HG23)
assign (segid "   C" and resid   48 and name   HN) (segid "   C" and resid   47 and name   HA) 2.758 0.951 0.951 weight 1.000 ! spec=15N_...Y_FI, no=1204, id=264, vol=3.619902e+07
assign (segid "   C" and resid   48 and name   HN) (segid "   C" and resid   48 and name   HA) 3.282 1.347 1.347 weight 1.000 ! spec=15N_...Y_FI, no=1205, id=265, vol=1.515017e+07
assign (segid "   C" and resid   49 and name   HN) (segid "   C" and resid   22 and name   HA) 3.679 1.692 1.692 weight 1.000 ! spec=15N_...Y_FI, no=1215, id=266, vol=1.208133e+07
assign (segid "   C" and resid   49 and name   HN) (segid "   C" and resid   48 and name   HA) 2.592 0.840 0.840 weight 1.000 ! spec=15N_...Y_FI, no=1216, id=267, vol=3.945452e+07
assign (segid "   C" and resid   49 and name   HN) (segid "   C" and resid   49 and name   HA) 3.153 1.242 1.242 weight 1.000 ! spec=15N_...Y_FI, no=1217, id=268, vol=1.478540e+07
assign (segid "   C" and resid   49 and name   HN) (segid "   C" and resid   49 and name   HB) 3.830 1.834 1.834 weight 1.000 ! spec=15N_...Y_FI, no=1220, id=269, vol=1.504456e+07
assign (segid "   C" and resid   49 and name   HN) (segid "   C" and resid   49 and name HG22) 3.077 1.184 1.184 weight 1.000 ! spec=15N_...Y_FI, no=1223, id=271, vol=2.102814e+07
    or (segid "   C" and resid   49 and name   HN) (segid "   C" and resid   49 and name HG21)
    or (segid "   C" and resid   49 and name   HN) (segid "   C" and resid   49 and name HG23)
assign (segid "   C" and resid   50 and name   HN) (segid "   C" and resid   51 and name   HN) 3.080 1.185 1.185 weight 1.000 ! spec=15N_...Y_FI, no=1224, id=272, vol=1.963163e+07
assign (segid "   C" and resid   50 and name   HN) (segid "   C" and resid   50 and name  HD1) 4.189 2.194 2.194 weight 1.000 ! spec=15N_...Y_FI, no=1225, id=273, vol=9.052834e+06
    or (segid "   C" and resid   50 and name   HN) (segid "   C" and resid   50 and name  HD2)
assign (segid "   C" and resid   50 and name   HN) (segid "   C" and resid   50 and name   HA) 3.382 1.429 1.429 weight 1.000 ! spec=15N_...Y_FI, no=1226, id=274, vol=1.386002e+07
assign (segid "   C" and resid   50 and name   HN) (segid "   C" and resid   49 and name   HA) 3.823 1.827 1.827 weight 1.000 ! spec=15N_...Y_FI, no=1228, id=275, vol=7.269993e+06
assign (segid "   C" and resid   50 and name   HN) (segid "   C" and resid   50 and name  HB1) 4.154 2.157 2.157 weight 1.000 ! spec=15N_...Y_FI, no=1229, id=276, vol=1.608164e+07
assign (segid "   C" and resid   50 and name   HN) (segid "   C" and resid   50 and name  HB2) 3.359 1.411 1.411 weight 1.000 ! spec=15N_...Y_FI, no=1231, id=277, vol=9.251931e+06
assign (segid "   C" and resid   50 and name   HN) (segid "   C" and resid   49 and name   HB) 3.905 1.906 1.906 weight 1.000 ! spec=15N_...Y_FI, no=1233, id=278, vol=1.007472e+07
assign (segid "   C" and resid   50 and name   HN) (segid "   C" and resid   49 and name HG22) 4.842 2.931 2.931 weight 1.000 ! spec=15N_...Y_FI, no=1238, id=280, vol=5.714961e+06
    or (segid "   C" and resid   50 and name   HN) (segid "   C" and resid   49 and name HG21)
    or (segid "   C" and resid   50 and name   HN) (segid "   C" and resid   49 and name HG23)
assign (segid "   C" and resid   52 and name   HN) (segid "   C" and resid   51 and name   HN) 3.105 1.205 1.205 weight 1.000 ! spec=15N_...Y_FI, no=1256, id=281, vol=1.855405e+07
assign (segid "   C" and resid   54 and name   HN) (segid "   C" and resid   53 and name   HA) 2.982 1.111 1.111 weight 1.000 ! spec=15N_...Y_FI, no=1277, id=283, vol=2.873004e+07
assign (segid "   C" and resid   54 and name   HN) (segid "   C" and resid   55 and name   HN) 3.378 1.427 1.427 weight 1.000 ! spec=15N_...Y_FI, no=1284, id=284, vol=1.688389e+07
assign (segid "   C" and resid   55 and name   HN) (segid "   C" and resid   54 and name   HA) 2.920 1.066 1.066 weight 1.000 ! spec=15N_...Y_FI, no=1287, id=285, vol=3.064824e+07
assign (segid "   C" and resid   55 and name   HN) (segid "   C" and resid   55 and name  HB1) 3.911 1.912 1.912 weight 1.000 ! spec=15N_...Y_FI, no=1290, id=286, vol=1.548775e+07
assign (segid "   C" and resid   55 and name   HN) (segid "   C" and resid   55 and name  HB2) 2.881 1.038 1.038 weight 1.000 ! spec=15N_...Y_FI, no=1292, id=287, vol=3.138450e+07
assign (segid "   C" and resid    2 and name   HN) (segid "   C" and resid    2 and name   HA) 3.714 1.724 1.724 weight 1.000 ! spec=15N_...Y_FI, no=1304, id=289, vol=7.865541e+06
assign (segid "   C" and resid    3 and name   HN) (segid "   C" and resid    3 and name   HA) 3.559 1.584 1.584 weight 1.000 ! spec=15N_...Y_FI, no=1308, id=290, vol=8.967732e+06
assign (segid "   C" and resid    3 and name   HN) (segid "   C" and resid    2 and name   HA) 3.587 1.608 1.608 weight 1.000 ! spec=15N_...Y_FI, no=1309, id=291, vol=1.081062e+07
assign (segid "   C" and resid    3 and name   HN) (segid "   C" and resid    3 and name  HG1) 4.954 3.067 3.067 weight 1.000 ! spec=15N_...Y_FI, no=1311, id=292, vol=5.239661e+06
assign (segid "   C" and resid    3 and name   HN) (segid "   C" and resid    2 and name  HB2) 4.525 2.560 2.560 weight 1.000 ! spec=15N_...Y_FI, no=1315, id=293, vol=4.639357e+06
    or (segid "   C" and resid    3 and name   HN) (segid "   C" and resid    2 and name  HB1)
    or (segid "   C" and resid    3 and name   HN) (segid "   C" and resid    2 and name  HB3)
assign (segid "   C" and resid    4 and name   HN) (segid "   C" and resid    3 and name   HA) 3.363 1.413 1.413 weight 1.000 ! spec=15N_...Y_FI, no=1319, id=294, vol=1.494053e+07
assign (segid "   C" and resid   47 and name HD22) (segid "   C" and resid   47 and name HD21) 1.983 0.492 0.492 weight 1.000 ! spec=15N_...Y_FI, no=1330, id=296, vol=1.156259e+08
assign (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   28 and name   HN) 3.482 1.515 1.515 weight 1.000 ! spec=15N_...Y_FI, no=1351, id=298, vol=2.400694e+07
assign (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   28 and name   HA) 2.528 0.799 0.799 weight 1.000 ! spec=15N_...Y_FI, no=1353, id=299, vol=8.198414e+07
assign (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   30 and name   HA) 4.407 2.428 2.428 weight 1.000 ! spec=15N_...Y_FI, no=1363, id=301, vol=8.473652e+06
assign (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   22 and name  HB2) 3.819 1.823 1.823 weight 1.000 ! spec=15N_...Y_FI, no=1369, id=302, vol=1.644234e+07
assign (segid "   C" and resid    7 and name   HN) (segid "   C" and resid    6 and name   HA) 2.380 0.708 0.708 weight 1.000 ! spec=15N_...Y_FI, no=1378, id=303, vol=8.331846e+07
assign (segid "   C" and resid    7 and name   HN) (segid "   C" and resid    7 and name  HB1) 2.988 1.116 1.116 weight 1.000 ! spec=15N_...Y_FI, no=1380, id=304, vol=2.869477e+07
assign (segid "   C" and resid    7 and name   HN) (segid "   C" and resid    7 and name  HB2) 3.074 1.181 1.181 weight 1.000 ! spec=15N_...Y_FI, no=1381, id=305, vol=2.843188e+07
assign (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    7 and name   HA) 2.020 0.510 0.510 weight 1.000 ! spec=15N_...Y_FI, no=1388, id=308, vol=2.332679e+08
assign (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    8 and name HD22) 3.593 1.614 1.614 weight 1.000 ! spec=15N_...Y_FI, no=1393, id=309, vol=2.664352e+07
    or (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    8 and name HD21)
    or (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    8 and name HD23)
assign (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    8 and name HD12) 3.156 1.245 1.245 weight 1.000 ! spec=15N_...Y_FI, no=1394, id=310, vol=2.743398e+07
    or (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    8 and name HD11)
    or (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    8 and name HD13)
assign (segid "   C" and resid    9 and name   HN) (segid "   C" and resid    9 and name   HA) 2.556 0.817 0.817 weight 1.000 ! spec=15N_...Y_FI, no=1398, id=311, vol=7.762612e+07
assign (segid "   C" and resid   41 and name   HN) (segid "   C" and resid   41 and name   HA) 3.245 1.317 1.317 weight 1.000 ! spec=15N_...Y_FI, no=1421, id=313, vol=1.809793e+07
assign (segid "   C" and resid   41 and name   HN) (segid "   C" and resid   40 and name   HA) 3.031 1.149 1.149 weight 1.000 ! spec=15N_...Y_FI, no=1424, id=314, vol=2.126133e+07
assign (segid "   C" and resid   41 and name   HN) (segid "   C" and resid   41 and name  HB2) 2.616 0.855 0.855 weight 1.000 ! spec=15N_...Y_FI, no=1428, id=315, vol=4.496401e+07
    or (segid "   C" and resid   41 and name   HN) (segid "   C" and resid   41 and name  HB1)
    or (segid "   C" and resid   41 and name   HN) (segid "   C" and resid   41 and name  HB3)
assign (segid "   C" and resid   46 and name   HN) (segid "   C" and resid   46 and name  HB1) 3.644 1.660 1.660 weight 1.000 ! spec=15N_...Y_FI, no=1497, id=317, vol=9.801265e+06
assign (segid "   C" and resid   46 and name   HN) (segid "   C" and resid   46 and name  HB2) 3.336 1.391 1.391 weight 1.000 ! spec=15N_...Y_FI, no=1498, id=318, vol=1.164816e+07
assign (segid "   C" and resid   46 and name   HN) (segid "   C" and resid   44 and name   HA) 3.413 1.456 1.456 weight 1.000 ! spec=15N_...Y_FI, no=1576, id=322, vol=1.882620e+07
assign (segid "   C" and resid   46 and name   HN) (segid "   C" and resid   45 and name   HA) 3.064 1.174 1.174 weight 1.000 ! spec=15N_...Y_FI, no=1577, id=323, vol=2.616585e+07
assign (segid "   C" and resid   47 and name   HN) (segid "   C" and resid   46 and name   HA) 3.048 1.161 1.161 weight 1.000 ! spec=15N_...Y_FI, no=1583, id=324, vol=2.315612e+07
assign (segid "   C" and resid   48 and name   HN) (segid "   C" and resid   48 and name  HB1) 2.910 1.059 1.059 weight 1.000 ! spec=15N_...Y_FI, no=1605, id=325, vol=3.236833e+07
assign (segid "   C" and resid   48 and name   HN) (segid "   C" and resid   48 and name  HB2) 2.748 0.944 0.944 weight 1.000 ! spec=15N_...Y_FI, no=1606, id=326, vol=3.042708e+07
assign (segid "   C" and resid   48 and name   HN) (segid "   C" and resid   47 and name  HB1) 3.273 1.339 1.339 weight 1.000 ! spec=15N_...Y_FI, no=1607, id=327, vol=2.050738e+07
assign (segid "   C" and resid   48 and name   HN) (segid "   C" and resid   47 and name  HB2) 3.829 1.833 1.833 weight 1.000 ! spec=15N_...Y_FI, no=1608, id=328, vol=1.645702e+07
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   12 and name   HA) 3.855 1.858 1.858 weight 1.000 ! spec=15N_...Y_FI, no=1613, id=329, vol=8.583742e+06
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   13 and name   HA) 3.237 1.310 1.310 weight 1.000 ! spec=15N_...Y_FI, no=1614, id=330, vol=1.866970e+07
assign (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   35 and name  HB2) 4.714 2.777 2.777 weight 1.000 ! spec=15N_...Y_FI, no=1617, id=331, vol=5.122233e+06
assign (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   35 and name  HB1) 4.001 2.001 2.001 weight 1.000 ! spec=15N_...Y_FI, no=1618, id=332, vol=9.137941e+06
assign (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   22 and name  HB1) 3.932 1.932 1.932 weight 1.000 ! spec=15N_...Y_FI, no=1622, id=333, vol=1.550878e+07
assign (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   20 and name   HN) 4.215 2.220 2.220 weight 1.000 ! spec=15N_...Y_FI, no=1631, id=335, vol=1.065585e+07
assign (segid "   C" and resid   31 and name   HN) (segid "   C" and resid   30 and name  HB1) 3.816 1.820 1.820 weight 1.000 ! spec=15N_...Y_FI, no=1633, id=336, vol=1.310026e+07
assign (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   43 and name  HB1) 3.959 1.959 1.959 weight 1.000 ! spec=15N_...Y_FI, no=1647, id=338, vol=6.637941e+06
assign (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   39 and name   HA) 3.033 1.150 1.150 weight 1.000 ! spec=15N_...Y_FI, no=1661, id=340, vol=2.420951e+07
assign (segid "   C" and resid    6 and name   HN) (segid "   C" and resid    5 and name   HA) 2.259 0.638 0.638 weight 1.000 ! spec=15N_...Y_FI, no=1679, id=341, vol=1.330357e+08
assign (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   49 and name HD12) 3.402 1.446 1.446 weight 1.000 ! spec=15N_...Y_FI, no=1711, id=342, vol=1.252703e+07
    or (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   49 and name HD11)
    or (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   49 and name HD13)
assign (segid "   C" and resid    9 and name   HN) (segid "   C" and resid    9 and name  HB1) 2.327 0.677 0.677 weight 1.000 ! spec=15N_...Y_FI, no=1726, id=344, vol=1.344364e+08
assign (segid "   C" and resid   15 and name   HE) (segid "   C" and resid   15 and name  HG2) 3.644 1.660 1.660 weight 1.000 ! spec=15N_...Y_FI, no=1731, id=346, vol=9.389120e+06
assign (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   13 and name HG22) 4.836 2.924 2.924 weight 1.000 ! spec=15N_...Y_FI, no=1733, id=348, vol=5.867516e+06
    or (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   13 and name HG21)
    or (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   13 and name HG23)
assign (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   39 and name   HB) 2.908 1.057 1.057 weight 1.000 ! spec=15N_...Y_FI, no=1761, id=351, vol=3.170728e+07
assign (segid "   C" and resid   48 and name   HN) (segid "   C" and resid   47 and name   HN) 3.795 1.800 1.800 weight 1.000 ! spec=15N_...Y_FI, no=1776, id=352, vol=1.716243e+07
assign (segid "   C" and resid   51 and name   HN) (segid "   C" and resid   51 and name  HB1) 2.751 0.946 0.946 weight 1.000 ! spec=15N_...Y_FI, no=1781, id=354, vol=3.707312e+07
assign (segid "   C" and resid    9 and name   HN) (segid "   C" and resid    8 and name HD22) 3.941 1.942 1.942 weight 1.000 ! spec=15N_...Y_FI, no=1812, id=359, vol=2.144496e+07
    or (segid "   C" and resid    9 and name   HN) (segid "   C" and resid    8 and name HD21)
    or (segid "   C" and resid    9 and name   HN) (segid "   C" and resid    8 and name HD23)
assign (segid "   C" and resid   11 and name   HN) (segid "   C" and resid    8 and name   HA) 3.633 1.650 1.650 weight 1.000 ! spec=15N_...Y_FI, no=1814, id=360, vol=1.590978e+07
assign (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   19 and name  HG1) 3.576 1.598 1.598 weight 1.000 ! spec=15N_...Y_FI, no=1820, id=361, vol=2.134525e+07
assign (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   38 and name   HA) 2.529 0.799 0.799 weight 1.000 ! spec=15N_...Y_FI, no=1826, id=363, vol=7.151516e+07
assign (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   39 and name HG12) 2.479 0.768 0.768 weight 1.000 ! spec=15N_...Y_FI, no=1831, id=364, vol=7.370965e+07
    or (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   39 and name HG11)
    or (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   39 and name HG13)
assign (segid "   C" and resid   46 and name  HE1) (segid "   C" and resid   46 and name  HZ2) 3.259 1.327 1.327 weight 1.000 ! spec=NOES..._H2O, no=4, id=861, vol=3.154612e+05
assign (segid "   C" and resid   46 and name  HE1) (segid "   C" and resid   21 and name   HA) 3.758 1.766 1.766 weight 1.000 ! spec=NOES..._H2O, no=5, id=862, vol=1.578908e+05
assign (segid "   C" and resid   31 and name  HD1) (segid "   C" and resid   31 and name  HE1) 3.148 1.238 1.238 weight 1.000 ! spec=NOES..._H2O, no=7, id=863, vol=3.369292e+05
assign (segid "   C" and resid   31 and name  HD1) (segid "   C" and resid   27 and name  HB1) 4.944 3.056 3.056 weight 1.000 ! spec=NOES..._H2O, no=9, id=864, vol=1.205302e+05
assign (segid "   C" and resid   31 and name  HD1) (segid "   C" and resid   31 and name   HA) 3.623 1.640 1.640 weight 1.000 ! spec=NOES..._H2O, no=10, id=865, vol=1.402498e+05
assign (segid "   C" and resid   31 and name  HD1) (segid "   C" and resid   31 and name  HB2) 3.581 1.603 1.603 weight 1.000 ! spec=NOES..._H2O, no=11, id=866, vol=1.215485e+05
assign (segid "   C" and resid   35 and name  HD1) (segid "   C" and resid   35 and name  HE1) 2.550 0.813 0.813 weight 1.000 ! spec=NOES..._H2O, no=12, id=867, vol=1.347494e+06
assign (segid "   C" and resid   35 and name  HD1) (segid "   C" and resid   35 and name   HA) 2.692 0.906 0.906 weight 1.000 ! spec=NOES..._H2O, no=14, id=868, vol=1.149831e+06
assign (segid "   C" and resid   35 and name  HD1) (segid "   C" and resid   20 and name   HA) 3.129 1.224 1.224 weight 1.000 ! spec=NOES..._H2O, no=15, id=869, vol=3.719565e+05
assign (segid "   C" and resid   35 and name  HD1) (segid "   C" and resid   18 and name  HA1) 4.890 2.989 2.989 weight 1.000 ! spec=NOES..._H2O, no=16, id=870, vol=8.640775e+04
assign (segid "   C" and resid   35 and name  HD1) (segid "   C" and resid   35 and name  HB2) 2.956 1.092 1.092 weight 1.000 ! spec=NOES..._H2O, no=17, id=871, vol=4.054605e+05
assign (segid "   C" and resid   35 and name  HD1) (segid "   C" and resid   35 and name  HB1) 4.312 2.324 2.324 weight 1.000 ! spec=NOES..._H2O, no=18, id=872, vol=1.884475e+05
assign (segid "   C" and resid   35 and name  HD1) (segid "   C" and resid   20 and name   HG) 3.684 1.697 1.697 weight 1.000 ! spec=NOES..._H2O, no=19, id=873, vol=1.781170e+05
assign (segid "   C" and resid   35 and name  HD1) (segid "   C" and resid   20 and name HD12) 4.320 2.333 2.333 weight 1.000 ! spec=NOES..._H2O, no=20, id=874, vol=1.248118e+05
    or (segid "   C" and resid   35 and name  HD1) (segid "   C" and resid   20 and name HD11)
    or (segid "   C" and resid   35 and name  HD1) (segid "   C" and resid   20 and name HD13)
assign (segid "   C" and resid   35 and name  HD1) (segid "   C" and resid   13 and name HG22) 2.860 1.022 1.022 weight 1.000 ! spec=NOES..._H2O, no=21, id=875, vol=4.997112e+05
    or (segid "   C" and resid   35 and name  HD1) (segid "   C" and resid   13 and name HG21)
    or (segid "   C" and resid   35 and name  HD1) (segid "   C" and resid   13 and name HG23)
assign (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   35 and name   HA) 2.972 1.104 1.104 weight 1.000 ! spec=NOES..._H2O, no=26, id=877, vol=5.742470e+05
assign (segid "   C" and resid   21 and name  HD1) (segid "   C" and resid   35 and name   HA) 3.686 1.698 1.698 weight 1.000 ! spec=NOES..._H2O, no=29, id=878, vol=2.716870e+05
    or (segid "   C" and resid   21 and name  HD2) (segid "   C" and resid   35 and name   HA)
assign (segid "   C" and resid   35 and name  HD2) (segid "   C" and resid   35 and name   HA) 4.150 2.153 2.153 weight 1.000 ! spec=NOES..._H2O, no=31, id=879, vol=1.396272e+05
assign (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   22 and name  HB1) 3.342 1.396 1.396 weight 1.000 ! spec=NOES..._H2O, no=47, id=882, vol=2.224392e+05
assign (segid "   C" and resid   21 and name   HA) (segid "   C" and resid   21 and name  HD1) 3.546 1.572 1.572 weight 1.000 ! spec=NOES..._H2O, no=52, id=884, vol=3.542375e+05
    or (segid "   C" and resid   21 and name   HA) (segid "   C" and resid   21 and name  HD2)
assign (segid "   C" and resid   21 and name  HD1) (segid "   C" and resid   20 and name   HA) 4.141 2.143 2.143 weight 1.000 ! spec=NOES..._H2O, no=53, id=885, vol=1.658138e+05
    or (segid "   C" and resid   21 and name  HD2) (segid "   C" and resid   20 and name   HA)
assign (segid "   C" and resid   21 and name  HB2) (segid "   C" and resid   21 and name  HD1) 3.201 1.281 1.281 weight 1.000 ! spec=NOES..._H2O, no=54, id=886, vol=5.824405e+05
    or (segid "   C" and resid   21 and name  HB2) (segid "   C" and resid   21 and name  HD2)
assign (segid "   C" and resid   21 and name  HD1) (segid "   C" and resid   46 and name  HB2) 4.294 2.305 2.305 weight 1.000 ! spec=NOES..._H2O, no=55, id=887, vol=1.916635e+05
    or (segid "   C" and resid   21 and name  HD2) (segid "   C" and resid   46 and name  HB2)
assign (segid "   C" and resid   50 and name  HE1) (segid "   C" and resid   33 and name  HB1) 4.559 2.598 2.598 weight 1.000 ! spec=NOES..._H2O, no=57, id=888, vol=1.660105e+05
    or (segid "   C" and resid   50 and name  HE2) (segid "   C" and resid   33 and name  HB1)
assign (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   21 and name  HD1) 3.614 1.633 1.633 weight 1.000 ! spec=NOES..._H2O, no=61, id=890, vol=3.272782e+05
    or (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   21 and name  HD2)
assign (segid "   C" and resid   21 and name  HD1) (segid "   C" and resid   21 and name  HE1) 2.690 0.905 0.905 weight 1.000 ! spec=NOES..._H2O, no=62, id=891, vol=2.612422e+06
    or (segid "   C" and resid   21 and name  HD1) (segid "   C" and resid   21 and name  HE2)
    or (segid "   C" and resid   21 and name  HD2) (segid "   C" and resid   21 and name  HE1)
    or (segid "   C" and resid   21 and name  HD2) (segid "   C" and resid   21 and name  HE2)
assign (segid "   C" and resid   21 and name  HD1) (segid "   C" and resid   21 and name   HZ) 2.494 0.778 3.506 weight 1.000 ! spec=NOES..._H2O, no=63, id=892, vol=2.867057e+06
    or (segid "   C" and resid   21 and name  HD2) (segid "   C" and resid   21 and name   HZ)
assign (segid "   C" and resid   21 and name  HE1) (segid "   C" and resid   19 and name  HB2) 3.452 1.489 1.489 weight 1.000 ! spec=NOES..._H2O, no=69, id=893, vol=5.134358e+05
    or (segid "   C" and resid   21 and name  HE2) (segid "   C" and resid   19 and name  HB2)
assign (segid "   C" and resid   46 and name  HE3) (segid "   C" and resid   47 and name   HA) 3.268 1.335 1.335 weight 1.000 ! spec=NOES..._H2O, no=90, id=895, vol=3.077978e+05
assign (segid "   C" and resid   46 and name  HD1) (segid "   C" and resid   21 and name   HA) 3.737 1.746 1.746 weight 1.000 ! spec=NOES..._H2O, no=91, id=896, vol=1.530702e+05
assign (segid "   C" and resid   46 and name   HA) (segid "   C" and resid   46 and name  HD1) 3.276 1.342 1.342 weight 1.000 ! spec=NOES..._H2O, no=94, id=897, vol=3.477700e+05
assign (segid "   C" and resid   46 and name  HE1) (segid "   C" and resid   46 and name  HD1) 2.758 0.951 0.951 weight 1.000 ! spec=NOES..._H2O, no=107, id=898, vol=8.779422e+05
assign (segid "   C" and resid   46 and name  HE3) (segid "   C" and resid   46 and name  HB2) 2.836 1.005 1.005 weight 1.000 ! spec=NOES..._H2O, no=113, id=899, vol=6.340930e+05
assign (segid "   C" and resid   46 and name  HB1) (segid "   C" and resid   46 and name  HD1) 2.981 1.111 1.111 weight 1.000 ! spec=NOES..._H2O, no=114, id=900, vol=6.721192e+05
assign (segid "   C" and resid   46 and name  HE3) (segid "   C" and resid   46 and name  HZ3) 2.751 0.946 0.946 weight 1.000 ! spec=NOES..._H2O, no=142, id=902, vol=7.664570e+05
assign (segid "   C" and resid   11 and name   HN) (segid "   C" and resid   11 and name   HA) 2.687 0.902 0.902 weight 1.000 ! spec=NOES..._H2O, no=165, id=904, vol=9.544958e+05
assign (segid "   C" and resid   35 and name  HE1) (segid "   C" and resid   20 and name HD22) 4.047 2.047 2.047 weight 1.000 ! spec=NOES..._H2O, no=177, id=909, vol=2.130722e+05
    or (segid "   C" and resid   35 and name  HE1) (segid "   C" and resid   20 and name HD21)
    or (segid "   C" and resid   35 and name  HE1) (segid "   C" and resid   20 and name HD23)
assign (segid "   C" and resid   31 and name  HE1) (segid "   C" and resid   20 and name HD22) 3.706 1.717 1.717 weight 1.000 ! spec=NOES..._H2O, no=178, id=910, vol=2.845205e+05
    or (segid "   C" and resid   31 and name  HE1) (segid "   C" and resid   20 and name HD21)
    or (segid "   C" and resid   31 and name  HE1) (segid "   C" and resid   20 and name HD23)
assign (segid "   C" and resid   20 and name HD12) (segid "   C" and resid   20 and name HD22) 2.188 0.598 0.598 weight 1.000 ! spec=NOES..._H2O, no=181, id=912, vol=9.484392e+05
    or (segid "   C" and resid   20 and name HD12) (segid "   C" and resid   20 and name HD21)
    or (segid "   C" and resid   20 and name HD12) (segid "   C" and resid   20 and name HD23)
    or (segid "   C" and resid   20 and name HD11) (segid "   C" and resid   20 and name HD22)
    or (segid "   C" and resid   20 and name HD11) (segid "   C" and resid   20 and name HD21)
    or (segid "   C" and resid   20 and name HD11) (segid "   C" and resid   20 and name HD23)
    or (segid "   C" and resid   20 and name HD13) (segid "   C" and resid   20 and name HD22)
    or (segid "   C" and resid   20 and name HD13) (segid "   C" and resid   20 and name HD21)
    or (segid "   C" and resid   20 and name HD13) (segid "   C" and resid   20 and name HD23)
assign (segid "   C" and resid   35 and name  HE1) (segid "   C" and resid   20 and name  HB2) 4.175 2.179 2.179 weight 1.000 ! spec=NOES..._H2O, no=184, id=913, vol=3.306895e+05
assign (segid "   C" and resid   46 and name  HH2) (segid "   C" and resid   23 and name   HA) 3.977 1.978 1.978 weight 1.000 ! spec=NOES..._H2O, no=196, id=914, vol=1.445135e+05
assign (segid "   C" and resid   46 and name  HZ2) (segid "   C" and resid   46 and name  HH2) 2.762 0.954 0.954 weight 1.000 ! spec=NOES..._H2O, no=198, id=916, vol=7.948480e+05
assign (segid "   C" and resid   21 and name   HZ) (segid "   C" and resid   19 and name  HB1) 2.866 1.027 1.027 weight 1.000 ! spec=NOES..._H2O, no=203, id=917, vol=5.448165e+05
assign (segid "   C" and resid   21 and name   HZ) (segid "   C" and resid   19 and name  HB2) 3.053 1.165 1.165 weight 1.000 ! spec=NOES..._H2O, no=204, id=918, vol=4.066725e+05
! using 1.5 times the talos error! 

!   11 C  TALOS PHI = -82.49 +/- 13.62  
ASSIGN (resid   10 and name C ) (resid   11 and name N )
       (resid   11 and name CA) (resid   11 and name C )  1.00  -82.49   20.42   2

!   12 E  TALOS PHI = -56.87 +/-  5.44  
ASSIGN (resid   11 and name C ) (resid   12 and name N )
       (resid   12 and name CA) (resid   12 and name C )  1.00  -56.87   8.16   2

!   13 V  TALOS PHI = -63.96 +/-  4.74  
ASSIGN (resid   12 and name C ) (resid   13 and name N )
       (resid   13 and name CA) (resid   13 and name C )  1.00  -63.96   7.10   2

!   14 C  TALOS PHI = -63.07 +/-  3.54  
ASSIGN (resid   13 and name C ) (resid   14 and name N )
       (resid   14 and name CA) (resid   14 and name C )  1.00  -63.07   5.30   2

!   15 R  TALOS PHI = -67.45 +/-  4.78  
ASSIGN (resid   14 and name C ) (resid   15 and name N )
       (resid   15 and name CA) (resid   15 and name C )  1.00  -67.45   7.17   2

!   16 D  TALOS PHI = -87.50 +/- 10.83  
ASSIGN (resid   15 and name C ) (resid   16 and name N )
       (resid   16 and name CA) (resid   16 and name C )  1.00  -87.50   16.24   2

!   20 L  TALOS PHI = -126.47 +/- 24.74  
ASSIGN (resid   19 and name C ) (resid   20 and name N )
       (resid   20 and name CA) (resid   20 and name C )  1.00  -126.47   37.11   2

!   21 F  TALOS PHI = -106.00 +/- 28.00  
ASSIGN (resid   20 and name C ) (resid   21 and name N )
       (resid   21 and name CA) (resid   21 and name C )  1.00  -106.00   42.00   2

!   22 C  TALOS PHI = -138.53 +/- 12.73  
ASSIGN (resid   21 and name C ) (resid   22 and name N )
       (resid   22 and name CA) (resid   22 and name C )  1.00  -138.53   19.09   2

!   23 C  TALOS PHI = -75.37 +/-  6.83  
ASSIGN (resid   22 and name C ) (resid   23 and name N )
       (resid   23 and name CA) (resid   23 and name C )  1.00  -75.37   10.24   2

!   24 D  TALOS PHI = -62.00 +/- 13.00  
ASSIGN (resid   23 and name C ) (resid   24 and name N )
       (resid   24 and name CA) (resid   24 and name C )  1.00  -62.00   19.50   2

!   25 T  TALOS PHI = -65.79 +/-  4.98  
ASSIGN (resid   24 and name C ) (resid   25 and name N )
       (resid   25 and name CA) (resid   25 and name C )  1.00  -65.79   7.46   2

!   26 C  TALOS PHI = -65.06 +/-  6.91  
ASSIGN (resid   25 and name C ) (resid   26 and name N )
       (resid   26 and name CA) (resid   26 and name C )  1.00  -65.06   10.36   2

!   27 S  TALOS PHI = -59.69 +/-  8.85  
ASSIGN (resid   26 and name C ) (resid   27 and name N )
       (resid   27 and name CA) (resid   27 and name C )  1.00  -59.69   13.27   2

!   28 R  TALOS PHI = -72.84 +/-  9.12  
ASSIGN (resid   27 and name C ) (resid   28 and name N )
       (resid   28 and name CA) (resid   28 and name C )  1.00  -72.84   13.69   2

!   31 H  TALOS PHI = -58.67 +/-  7.46  
ASSIGN (resid   30 and name C ) (resid   31 and name N )
       (resid   31 and name CA) (resid   31 and name C )  1.00  -58.67   11.18   2

!   32 E  TALOS PHI = -64.31 +/-  6.75  
ASSIGN (resid   31 and name C ) (resid   32 and name N )
       (resid   32 and name CA) (resid   32 and name C )  1.00  -64.31   10.13   2

!   33 D  TALOS PHI = -70.27 +/-  5.40  
ASSIGN (resid   32 and name C ) (resid   33 and name N )
       (resid   33 and name CA) (resid   33 and name C )  1.00  -70.27   8.10   2

!   34 C  TALOS PHI = -81.00 +/- 23.00  
ASSIGN (resid   33 and name C ) (resid   34 and name N )
       (resid   34 and name CA) (resid   34 and name C )  1.00  -81.00   34.50   2

!   48 C  TALOS PHI = -84.98 +/- 15.41  
ASSIGN (resid   47 and name C ) (resid   48 and name N )
       (resid   48 and name CA) (resid   48 and name C )  1.00  -84.98   23.12   2

!   49 I  TALOS PHI = -58.48 +/-  5.99  
ASSIGN (resid   48 and name C ) (resid   49 and name N )
       (resid   49 and name CA) (resid   49 and name C )  1.00  -58.48   8.98   2

!   50 F  TALOS PHI = -64.00 +/-  6.70  
ASSIGN (resid   49 and name C ) (resid   50 and name N )
       (resid   50 and name CA) (resid   50 and name C )  1.00  -64.00   10.05   2

!   51 C  TALOS PHI = -66.14 +/-  6.06  
ASSIGN (resid   50 and name C ) (resid   51 and name N )
       (resid   51 and name CA) (resid   51 and name C )  1.00  -66.14   9.08   2

!   52 R  TALOS PHI = -71.11 +/- 11.54  
ASSIGN (resid   51 and name C ) (resid   52 and name N )
       (resid   52 and name CA) (resid   52 and name C )  1.00  -71.11   17.31   2

! using 1.5 times the talos error! 

!   11 C  TALOS PSI = 127.67 +/- 21.82  
ASSIGN (resid   11 and name N ) (resid   11 and name CA )
       (resid   11 and name C) (resid   12 and name N )  1.00   127.67   32.72   2

!   12 E  TALOS PSI = -38.57 +/-  9.62  
ASSIGN (resid   12 and name N ) (resid   12 and name CA )
       (resid   12 and name C) (resid   13 and name N )  1.00  -38.57   14.43   2

!   13 V  TALOS PSI = -41.13 +/-  9.14  
ASSIGN (resid   13 and name N ) (resid   13 and name CA )
       (resid   13 and name C) (resid   14 and name N )  1.00  -41.13   13.71   2

!   14 C  TALOS PSI = -41.73 +/-  8.92  
ASSIGN (resid   14 and name N ) (resid   14 and name CA )
       (resid   14 and name C) (resid   15 and name N )  1.00  -41.73   13.37   2

!   15 R  TALOS PSI = -22.34 +/-  9.01  
ASSIGN (resid   15 and name N ) (resid   15 and name CA )
       (resid   15 and name C) (resid   16 and name N )  1.00  -22.34   13.52   2

!   16 D  TALOS PSI = -0.63 +/-  9.44  
ASSIGN (resid   16 and name N ) (resid   16 and name CA )
       (resid   16 and name C) (resid   17 and name N )  1.00  -0.63   14.15   2

!   20 L  TALOS PSI = 143.65 +/- 15.41  
ASSIGN (resid   20 and name N ) (resid   20 and name CA )
       (resid   20 and name C) (resid   21 and name N )  1.00   143.65   23.12   2

!   22 C  TALOS PSI = 159.92 +/- 12.26  
ASSIGN (resid   22 and name N ) (resid   22 and name CA )
       (resid   22 and name C) (resid   23 and name N )  1.00   159.92   18.39   2

!   23 C  TALOS PSI = 165.36 +/- 11.97  
ASSIGN (resid   23 and name N ) (resid   23 and name CA )
       (resid   23 and name C) (resid   24 and name N )  1.00   165.36   17.95   2

!   24 D  TALOS PSI = -38.00 +/-  7.00  
ASSIGN (resid   24 and name N ) (resid   24 and name CA )
       (resid   24 and name C) (resid   25 and name N )  1.00  -38.00   10.50   2

!   25 T  TALOS PSI = -38.37 +/-  9.72  
ASSIGN (resid   25 and name N ) (resid   25 and name CA )
       (resid   25 and name C) (resid   26 and name N )  1.00  -38.37   14.58   2

!   26 C  TALOS PSI = -40.19 +/-  5.81  
ASSIGN (resid   26 and name N ) (resid   26 and name CA )
       (resid   26 and name C) (resid   27 and name N )  1.00  -40.19   8.71   2

!   27 S  TALOS PSI = -33.33 +/- 13.13  
ASSIGN (resid   27 and name N ) (resid   27 and name CA )
       (resid   27 and name C) (resid   28 and name N )  1.00  -33.33   19.70   2

!   28 R  TALOS PSI = -35.56 +/- 10.20  
ASSIGN (resid   28 and name N ) (resid   28 and name CA )
       (resid   28 and name C) (resid   29 and name N )  1.00  -35.56   15.30   2

!   31 H  TALOS PSI = -41.88 +/-  4.59  
ASSIGN (resid   31 and name N ) (resid   31 and name CA )
       (resid   31 and name C) (resid   32 and name N )  1.00  -41.88   6.89   2

!   32 E  TALOS PSI = -41.06 +/-  7.71  
ASSIGN (resid   32 and name N ) (resid   32 and name CA )
       (resid   32 and name C) (resid   33 and name N )  1.00  -41.06   11.57   2

!   33 D  TALOS PSI = -38.72 +/-  9.03  
ASSIGN (resid   33 and name N ) (resid   33 and name CA )
       (resid   33 and name C) (resid   34 and name N )  1.00  -38.72   13.54   2

!   34 C  TALOS PSI = -24.00 +/- 12.00  
ASSIGN (resid   34 and name N ) (resid   34 and name CA )
       (resid   34 and name C) (resid   35 and name N )  1.00  -24.00   18.00   2

!   48 C  TALOS PSI = 129.01 +/- 22.28  
ASSIGN (resid   48 and name N ) (resid   48 and name CA )
       (resid   48 and name C) (resid   49 and name N )  1.00   129.01   33.42   2

!   49 I  TALOS PSI = -33.77 +/- 13.17  
ASSIGN (resid   49 and name N ) (resid   49 and name CA )
       (resid   49 and name C) (resid   50 and name N )  1.00  -33.77   19.75   2

!   50 F  TALOS PSI = -42.02 +/-  7.53  
ASSIGN (resid   50 and name N ) (resid   50 and name CA )
       (resid   50 and name C) (resid   51 and name N )  1.00  -42.02   11.29   2

!   51 C  TALOS PSI = -40.94 +/-  9.63  
ASSIGN (resid   51 and name N ) (resid   51 and name CA )
       (resid   51 and name C) (resid   52 and name N )  1.00  -40.94   14.44   2

!   52 R  TALOS PSI = -12.87 +/- 15.65  
ASSIGN (resid   52 and name N ) (resid   52 and name CA )
       (resid   52 and name C) (resid   53 and name N )  1.00  -12.87   23.47   2


assign (segid "   C" and resid   32 and name  HG1) (segid "   C" and resid   31 and name  HD2) 3.611 1.630 1.630 weight 1.000 ! spec=13C_...P_FI, no=275, id=378, vol=4.560199e+07
    or (segid "   C" and resid   32 and name  HG2) (segid "   C" and resid   31 and name  HD2)
assign (segid "   C" and resid   49 and name HG12) (segid "   C" and resid   50 and name  HD1) 3.906 1.907 1.907 weight 1.000 ! spec=13C_...P_FI, no=419, id=406, vol=4.158772e+07
    or (segid "   C" and resid   49 and name HG12) (segid "   C" and resid   50 and name  HD2)
    or (segid "   C" and resid   49 and name HG11) (segid "   C" and resid   50 and name  HD1)
    or (segid "   C" and resid   49 and name HG11) (segid "   C" and resid   50 and name  HD2)
assign (segid "   C" and resid   33 and name  HB2) (segid "   C" and resid   50 and name   HZ) 2.697 0.909 0.909 weight 1.000 ! spec=13C_...P_FI, no=422, id=408, vol=1.832003e+08
    or (segid "   C" and resid   33 and name  HB1) (segid "   C" and resid   50 and name   HZ)
assign (segid "   C" and resid   38 and name  HB2) (segid "   C" and resid   38 and name   HA) 2.230 0.622 0.622 weight 1.000 ! spec=13C_...woLP, no=73, id=422, vol=8.796812e+08
    or (segid "   C" and resid   38 and name  HB1) (segid "   C" and resid   38 and name   HA)
assign (segid "   C" and resid   38 and name  HG2) (segid "   C" and resid   38 and name   HA) 2.714 0.920 0.920 weight 1.000 ! spec=13C_...woLP, no=74, id=423, vol=6.059148e+08
    or (segid "   C" and resid   38 and name  HG1) (segid "   C" and resid   38 and name   HA)
assign (segid "   C" and resid   38 and name  HG1) (segid "   C" and resid   38 and name  HB2) 1.988 0.494 0.494 weight 1.000 ! spec=13C_...woLP, no=130, id=432, vol=1.662362e+09
    or (segid "   C" and resid   38 and name  HG1) (segid "   C" and resid   38 and name  HB1)
    or (segid "   C" and resid   38 and name  HG2) (segid "   C" and resid   38 and name  HB1)
assign (segid "   C" and resid   27 and name  HB1) (segid "   C" and resid   22 and name  HB2) 2.912 1.060 1.060 weight 1.000 ! spec=13C_...woLP, no=274, id=451, vol=1.319760e+08
    or (segid "   C" and resid   27 and name  HB2) (segid "   C" and resid   22 and name  HB2)
assign (segid "   C" and resid   26 and name  HB2) (segid "   C" and resid   22 and name  HB2) 3.747 1.755 1.755 weight 1.000 ! spec=13C_...woLP, no=275, id=452, vol=1.718017e+08
    or (segid "   C" and resid   34 and name  HB2) (segid "   C" and resid   22 and name  HB2)
    or (segid "   C" and resid   26 and name  HB1) (segid "   C" and resid   22 and name  HB2)
assign (segid "   C" and resid   12 and name  HB1) (segid "   C" and resid   13 and name   HA) 3.451 1.489 1.489 weight 1.000 ! spec=13C_...woLP, no=329, id=468, vol=1.033729e+08
    or (segid "   C" and resid   12 and name  HB2) (segid "   C" and resid   13 and name   HA)
assign (segid "   C" and resid    6 and name   HA) (segid "   C" and resid    6 and name  HB1) 2.426 0.736 0.736 weight 1.000 ! spec=13C_...woLP, no=378, id=485, vol=4.943864e+08
    or (segid "   C" and resid    6 and name   HA) (segid "   C" and resid    6 and name  HB2)
assign (segid "   C" and resid    6 and name  HD1) (segid "   C" and resid    6 and name  HB1) 2.529 0.800 0.800 weight 1.000 ! spec=13C_...woLP, no=379, id=486, vol=4.798940e+08
    or (segid "   C" and resid    6 and name  HD1) (segid "   C" and resid    6 and name  HB2)
    or (segid "   C" and resid    6 and name  HD2) (segid "   C" and resid    6 and name  HB2)
assign (segid "   C" and resid    6 and name  HD1) (segid "   C" and resid    6 and name  HG1) 2.203 0.607 0.607 weight 1.000 ! spec=13C_...woLP, no=381, id=487, vol=8.455348e+08
    or (segid "   C" and resid    6 and name  HD2) (segid "   C" and resid    6 and name  HG1)
    or (segid "   C" and resid    6 and name  HD2) (segid "   C" and resid    6 and name  HG2)
assign (segid "   C" and resid    9 and name  HB2) (segid "   C" and resid    9 and name   HA) 2.189 0.599 0.599 weight 1.000 ! spec=13C_...woLP, no=413, id=497, vol=1.190309e+09
    or (segid "   C" and resid    9 and name  HB1) (segid "   C" and resid    9 and name   HA)
assign (segid "   C" and resid   15 and name  HD1) (segid "   C" and resid   12 and name   HA) 3.034 1.150 1.150 weight 1.000 ! spec=13C_...woLP, no=422, id=500, vol=1.635758e+08
    or (segid "   C" and resid   15 and name  HD2) (segid "   C" and resid   12 and name   HA)
assign (segid "   C" and resid   15 and name  HD1) (segid "   C" and resid   15 and name   HA) 3.805 1.809 1.809 weight 1.000 ! spec=13C_...woLP, no=430, id=506, vol=1.342195e+08
    or (segid "   C" and resid   15 and name  HD2) (segid "   C" and resid   15 and name   HA)
assign (segid "   C" and resid   15 and name  HD1) (segid "   C" and resid   15 and name  HB2) 2.276 0.647 0.647 weight 1.000 ! spec=13C_...woLP, no=435, id=511, vol=6.832187e+08
    or (segid "   C" and resid   15 and name  HD2) (segid "   C" and resid   15 and name  HB2)
    or (segid "   C" and resid   15 and name  HD1) (segid "   C" and resid   15 and name  HB1)
assign (segid "   C" and resid   15 and name  HB1) (segid "   C" and resid   15 and name   HA) 2.129 0.567 0.567 weight 1.000 ! spec=13C_...woLP, no=436, id=512, vol=1.132656e+09
    or (segid "   C" and resid   15 and name  HB2) (segid "   C" and resid   15 and name   HA)
assign (segid "   C" and resid   15 and name  HD1) (segid "   C" and resid   15 and name  HG1) 2.257 0.637 0.637 weight 1.000 ! spec=13C_...woLP, no=437, id=513, vol=7.443728e+08
    or (segid "   C" and resid   15 and name  HD2) (segid "   C" and resid   15 and name  HG1)
assign (segid "   C" and resid   15 and name  HD1) (segid "   C" and resid   15 and name  HG2) 2.139 0.572 0.572 weight 1.000 ! spec=13C_...woLP, no=440, id=515, vol=9.844200e+08
    or (segid "   C" and resid   15 and name  HD2) (segid "   C" and resid   15 and name  HG2)
assign (segid "   C" and resid   32 and name  HG1) (segid "   C" and resid   32 and name   HA) 2.496 0.779 0.779 weight 1.000 ! spec=13C_...woLP, no=541, id=544, vol=5.180268e+08
    or (segid "   C" and resid   32 and name  HG2) (segid "   C" and resid   32 and name   HA)
assign (segid "   C" and resid   32 and name  HB2) (segid "   C" and resid   32 and name   HA) 2.208 0.609 0.609 weight 1.000 ! spec=13C_...woLP, no=542, id=545, vol=1.004029e+09
    or (segid "   C" and resid   32 and name  HB1) (segid "   C" and resid   32 and name   HA)
assign (segid "   C" and resid   32 and name  HG1) (segid "   C" and resid   32 and name  HB1) 2.478 0.767 0.767 weight 1.000 ! spec=13C_...woLP, no=546, id=548, vol=5.055668e+08
    or (segid "   C" and resid   32 and name  HG2) (segid "   C" and resid   32 and name  HB1)
assign (segid "   C" and resid   32 and name  HG1) (segid "   C" and resid   32 and name  HB2) 2.489 0.775 0.775 weight 1.000 ! spec=13C_...woLP, no=547, id=549, vol=4.998458e+08
    or (segid "   C" and resid   32 and name  HG2) (segid "   C" and resid   32 and name  HB2)
assign (segid "   C" and resid   32 and name  HG2) (segid "   C" and resid   32 and name  HB1) 2.052 0.526 0.526 weight 1.000 ! spec=13C_...woLP, no=550, id=551, vol=1.579281e+09
    or (segid "   C" and resid   32 and name  HG1) (segid "   C" and resid   32 and name  HB2)
    or (segid "   C" and resid   32 and name  HG2) (segid "   C" and resid   32 and name  HB2)
assign (segid "   C" and resid   38 and name  HG2) (segid "   C" and resid   38 and name  HD2) 2.437 0.742 0.742 weight 1.000 ! spec=13C_...woLP, no=575, id=554, vol=4.407989e+08
    or (segid "   C" and resid   38 and name  HG1) (segid "   C" and resid   38 and name  HD2)
assign (segid "   C" and resid   38 and name  HB2) (segid "   C" and resid   39 and name   HA) 2.799 0.980 3.201 weight 1.000 ! spec=13C_...woLP, no=582, id=555, vol=5.569562e+08
    or (segid "   C" and resid   38 and name  HB1) (segid "   C" and resid   39 and name   HA)
assign (segid "   C" and resid   39 and name HG12) (segid "   C" and resid   39 and name   HA) 2.233 0.623 0.623 weight 1.000 ! spec=13C_...woLP, no=583, id=556, vol=8.711451e+08
    or (segid "   C" and resid   39 and name HG11) (segid "   C" and resid   39 and name   HA)
    or (segid "   C" and resid   39 and name HG13) (segid "   C" and resid   39 and name   HA)
    or (segid "   C" and resid   39 and name HG22) (segid "   C" and resid   39 and name   HA)
    or (segid "   C" and resid   39 and name HG21) (segid "   C" and resid   39 and name   HA)
    or (segid "   C" and resid   39 and name HG23) (segid "   C" and resid   39 and name   HA)
assign (segid "   C" and resid   26 and name  HB1) (segid "   C" and resid   25 and name   HA) 3.546 1.572 2.454 weight 1.000 ! spec=13C_...woLP, no=585, id=558, vol=1.461415e+08
    or (segid "   C" and resid   26 and name  HB2) (segid "   C" and resid   25 and name   HA)
assign (segid "   C" and resid   26 and name  HB2) (segid "   C" and resid   26 and name   HA) 2.442 0.746 0.746 weight 1.000 ! spec=13C_...woLP, no=595, id=566, vol=4.846100e+08
    or (segid "   C" and resid   26 and name  HB1) (segid "   C" and resid   26 and name   HA)
assign (segid "   C" and resid   27 and name  HB1) (segid "   C" and resid   27 and name   HA) 2.274 0.646 0.646 weight 1.000 ! spec=13C_...woLP, no=617, id=573, vol=7.767341e+08
    or (segid "   C" and resid   27 and name  HB2) (segid "   C" and resid   27 and name   HA)
assign (segid "   C" and resid   34 and name  HB1) (segid "   C" and resid   27 and name  HB1) 3.355 1.407 2.645 weight 1.000 ! spec=13C_...woLP, no=618, id=574, vol=1.689441e+08
    or (segid "   C" and resid   34 and name  HB1) (segid "   C" and resid   27 and name  HB2)
assign (segid "   C" and resid   47 and name  HB2) (segid "   C" and resid   47 and name   HA) 2.818 0.993 0.993 weight 1.000 ! spec=13C_...woLP, no=717, id=581, vol=2.114746e+08
    or (segid "   C" and resid   47 and name  HB1) (segid "   C" and resid   47 and name   HA)
assign (segid "   C" and resid   49 and name HG12) (segid "   C" and resid   49 and name   HB) 2.451 0.751 0.751 weight 1.000 ! spec=13C_...woLP, no=737, id=583, vol=3.691748e+08
    or (segid "   C" and resid   49 and name HG11) (segid "   C" and resid   49 and name   HB)
assign (segid "   C" and resid   52 and name   HA) (segid "   C" and resid   52 and name  HD1) 3.019 1.139 1.139 weight 1.000 ! spec=13C_...woLP, no=814, id=590, vol=1.316660e+08
    or (segid "   C" and resid   52 and name   HA) (segid "   C" and resid   52 and name  HD2)
assign (segid "   C" and resid   52 and name  HB1) (segid "   C" and resid   52 and name  HD1) 2.631 0.865 0.865 weight 1.000 ! spec=13C_...woLP, no=815, id=591, vol=3.263435e+08
    or (segid "   C" and resid   52 and name  HB1) (segid "   C" and resid   52 and name  HD2)
    or (segid "   C" and resid   52 and name  HB2) (segid "   C" and resid   52 and name  HD1)
assign (segid "   C" and resid   52 and name  HG1) (segid "   C" and resid   52 and name  HD1) 2.303 0.663 0.663 weight 1.000 ! spec=13C_...woLP, no=818, id=592, vol=5.521691e+08
    or (segid "   C" and resid   52 and name  HG1) (segid "   C" and resid   52 and name  HD2)
    or (segid "   C" and resid   52 and name  HG2) (segid "   C" and resid   52 and name  HD1)
    or (segid "   C" and resid   52 and name  HG2) (segid "   C" and resid   52 and name  HD2)
assign (segid "   C" and resid   52 and name   HA) (segid "   C" and resid   52 and name  HG1) 2.976 1.107 1.107 weight 1.000 ! spec=13C_...woLP, no=819, id=593, vol=1.757931e+08
    or (segid "   C" and resid   52 and name   HA) (segid "   C" and resid   52 and name  HG2)
assign (segid "   C" and resid   54 and name  HD2) (segid "   C" and resid   54 and name  HE1) 2.441 0.745 0.745 weight 1.000 ! spec=13C_...woLP, no=835, id=596, vol=4.398270e+08
    or (segid "   C" and resid   54 and name  HD2) (segid "   C" and resid   54 and name  HE2)
    or (segid "   C" and resid   54 and name  HD1) (segid "   C" and resid   54 and name  HE1)
    or (segid "   C" and resid   54 and name  HD1) (segid "   C" and resid   54 and name  HE2)
assign (segid "   C" and resid   54 and name  HE1) (segid "   C" and resid   54 and name  HG2) 2.649 0.877 0.877 weight 1.000 ! spec=13C_...woLP, no=836, id=597, vol=3.273296e+08
    or (segid "   C" and resid   54 and name  HE2) (segid "   C" and resid   54 and name  HG2)
    or (segid "   C" and resid   54 and name  HE1) (segid "   C" and resid   54 and name  HG1)
    or (segid "   C" and resid   54 and name  HE2) (segid "   C" and resid   54 and name  HG1)
assign (segid "   C" and resid   55 and name   HA) (segid "   C" and resid   55 and name  HG2) 3.040 1.155 1.155 weight 1.000 ! spec=13C_...woLP, no=841, id=600, vol=1.940850e+08
    or (segid "   C" and resid   55 and name   HA) (segid "   C" and resid   55 and name  HG1)
assign (segid "   C" and resid   28 and name  HD1) (segid "   C" and resid   28 and name  HG1) 2.244 0.630 0.630 weight 1.000 ! spec=13C_...woLP, no=943, id=605, vol=7.313105e+08
    or (segid "   C" and resid   28 and name  HD2) (segid "   C" and resid   28 and name  HG1)
    or (segid "   C" and resid   28 and name  HD2) (segid "   C" and resid   28 and name  HG2)
assign (segid "   C" and resid   28 and name  HG1) (segid "   C" and resid   25 and name   HA) 4.118 2.120 2.120 weight 1.000 ! spec=13C_...woLP, no=1007, id=609, vol=5.898719e+07
    or (segid "   C" and resid   28 and name  HG2) (segid "   C" and resid   25 and name   HA)
assign (segid "   C" and resid   29 and name HG22) (segid "   C" and resid   30 and name  HE1) 3.139 1.232 1.232 weight 1.000 ! spec=13C_...woLP, no=1161, id=619, vol=1.894761e+08
    or (segid "   C" and resid   29 and name HG22) (segid "   C" and resid   30 and name  HE2)
    or (segid "   C" and resid   29 and name HG21) (segid "   C" and resid   30 and name  HE1)
    or (segid "   C" and resid   29 and name HG21) (segid "   C" and resid   30 and name  HE2)
    or (segid "   C" and resid   29 and name HG23) (segid "   C" and resid   30 and name  HE1)
    or (segid "   C" and resid   29 and name HG23) (segid "   C" and resid   30 and name  HE2)
    or (segid "   C" and resid   29 and name HG22) (segid "   C" and resid   30 and name   HZ)
    or (segid "   C" and resid   29 and name HG21) (segid "   C" and resid   30 and name   HZ)
    or (segid "   C" and resid   29 and name HG23) (segid "   C" and resid   30 and name   HZ)
assign (segid "   C" and resid   30 and name   HZ) (segid "   C" and resid   29 and name HG12) 3.695 1.707 1.707 weight 1.000 ! spec=13C_...woLP, no=1162, id=620, vol=1.124102e+08
    or (segid "   C" and resid   30 and name   HZ) (segid "   C" and resid   29 and name HG11)
    or (segid "   C" and resid   30 and name   HZ) (segid "   C" and resid   29 and name HG13)
    or (segid "   C" and resid   29 and name HG12) (segid "   C" and resid   30 and name  HE1)
    or (segid "   C" and resid   29 and name HG12) (segid "   C" and resid   30 and name  HE2)
    or (segid "   C" and resid   29 and name HG11) (segid "   C" and resid   30 and name  HE1)
    or (segid "   C" and resid   29 and name HG11) (segid "   C" and resid   30 and name  HE2)
    or (segid "   C" and resid   29 and name HG13) (segid "   C" and resid   30 and name  HE1)
    or (segid "   C" and resid   29 and name HG13) (segid "   C" and resid   30 and name  HE2)
assign (segid "   C" and resid   33 and name  HB1) (segid "   C" and resid   49 and name HD12) 3.224 1.300 1.300 weight 1.000 ! spec=13C_...woLP, no=1482, id=638, vol=1.301679e+08
    or (segid "   C" and resid   33 and name  HB1) (segid "   C" and resid   49 and name HD11)
    or (segid "   C" and resid   33 and name  HB1) (segid "   C" and resid   49 and name HD13)
    or (segid "   C" and resid   33 and name  HB2) (segid "   C" and resid   49 and name HD12)
    or (segid "   C" and resid   33 and name  HB2) (segid "   C" and resid   49 and name HD11)
    or (segid "   C" and resid   33 and name  HB2) (segid "   C" and resid   49 and name HD13)
assign (segid "   C" and resid   50 and name   HZ) (segid "   C" and resid   30 and name  HB2) 3.368 1.418 1.418 weight 1.000 ! spec=13C_...woLP, no=1552, id=641, vol=1.380530e+08
    or (segid "   C" and resid   30 and name  HB2) (segid "   C" and resid   50 and name  HE1)
    or (segid "   C" and resid   30 and name  HB2) (segid "   C" and resid   50 and name  HE2)
assign (segid "   C" and resid   50 and name  HE1) (segid "   C" and resid   30 and name  HB1) 3.557 1.582 1.582 weight 1.000 ! spec=13C_...woLP, no=1553, id=642, vol=7.368292e+07
    or (segid "   C" and resid   50 and name  HE2) (segid "   C" and resid   30 and name  HB1)
    or (segid "   C" and resid   50 and name   HZ) (segid "   C" and resid   30 and name  HB1)
assign (segid "   C" and resid   45 and name  HG2) (segid "   C" and resid   45 and name  HD1) 2.933 1.075 1.075 weight 1.000 ! spec=13C_...woLP, no=1626, id=651, vol=1.698401e+08
    or (segid "   C" and resid   45 and name  HG2) (segid "   C" and resid   45 and name  HD2)
assign (segid "   C" and resid   46 and name  HB2) (segid "   C" and resid   46 and name   HA) 2.959 1.094 1.094 weight 1.000 ! spec=13C_...woLP, no=1631, id=652, vol=1.834367e+08
    or (segid "   C" and resid   46 and name  HB1) (segid "   C" and resid   46 and name   HA)
assign (segid "   C" and resid   38 and name  HB2) (segid "   C" and resid   38 and name  HD1) 3.452 1.490 1.490 weight 1.000 ! spec=13C_...woLP, no=1717, id=668, vol=9.006098e+07
    or (segid "   C" and resid   38 and name  HB1) (segid "   C" and resid   38 and name  HD1)
assign (segid "   C" and resid   38 and name  HB2) (segid "   C" and resid   38 and name  HD2) 4.165 2.169 2.169 weight 1.000 ! spec=13C_...woLP, no=1723, id=669, vol=7.178822e+07
    or (segid "   C" and resid   38 and name  HB1) (segid "   C" and resid   38 and name  HD2)
assign (segid "   C" and resid   38 and name  HG2) (segid "   C" and resid   38 and name  HB2) 2.435 0.741 0.741 weight 1.000 ! spec=13C_...woLP, no=1734, id=672, vol=5.180151e+08
    or (segid "   C" and resid   38 and name  HG2) (segid "   C" and resid   38 and name  HB1)
assign (segid "   C" and resid   49 and name HG12) (segid "   C" and resid   21 and name  HB1) 3.286 1.350 1.350 weight 1.000 ! spec=13C_...woLP, no=1755, id=678, vol=8.143932e+07
    or (segid "   C" and resid   49 and name HG11) (segid "   C" and resid   21 and name  HB1)
assign (segid "   C" and resid   20 and name HD22) (segid "   C" and resid   20 and name  HB2) 2.377 0.706 0.706 weight 1.000 ! spec=13C_...woLP, no=1784, id=694, vol=3.390760e+08
    or (segid "   C" and resid   20 and name HD21) (segid "   C" and resid   20 and name  HB2)
    or (segid "   C" and resid   20 and name HD23) (segid "   C" and resid   20 and name  HB2)
    or (segid "   C" and resid   20 and name   HG) (segid "   C" and resid   20 and name HD22)
    or (segid "   C" and resid   20 and name   HG) (segid "   C" and resid   20 and name HD21)
    or (segid "   C" and resid   20 and name   HG) (segid "   C" and resid   20 and name HD23)
assign (segid "   C" and resid   27 and name  HB2) (segid "   C" and resid   20 and name HD22) 3.247 1.318 1.318 weight 1.000 ! spec=13C_...woLP, no=1788, id=698, vol=1.038116e+08
    or (segid "   C" and resid   27 and name  HB2) (segid "   C" and resid   20 and name HD21)
    or (segid "   C" and resid   27 and name  HB2) (segid "   C" and resid   20 and name HD23)
    or (segid "   C" and resid   27 and name  HB1) (segid "   C" and resid   20 and name HD22)
    or (segid "   C" and resid   27 and name  HB1) (segid "   C" and resid   20 and name HD21)
    or (segid "   C" and resid   27 and name  HB1) (segid "   C" and resid   20 and name HD23)
assign (segid "   C" and resid   22 and name  HB1) (segid "   C" and resid   26 and name  HB2) 2.731 0.933 0.933 weight 1.000 ! spec=13C_...woLP, no=1802, id=699, vol=1.672981e+08
    or (segid "   C" and resid   22 and name  HB1) (segid "   C" and resid   26 and name  HB1)
assign (segid "   C" and resid   24 and name  HB1) (segid "   C" and resid   24 and name   HA) 2.366 0.700 0.700 weight 1.000 ! spec=13C_...woLP, no=1821, id=710, vol=7.417338e+08
    or (segid "   C" and resid   24 and name  HB2) (segid "   C" and resid   24 and name   HA)
assign (segid "   C" and resid   27 and name  HB1) (segid "   C" and resid   24 and name   HA) 2.785 0.970 0.970 weight 1.000 ! spec=13C_...woLP, no=1822, id=711, vol=2.398494e+08
    or (segid "   C" and resid   27 and name  HB2) (segid "   C" and resid   24 and name   HA)
assign (segid "   C" and resid   39 and name   HB) (segid "   C" and resid   39 and name HG22) 2.036 0.518 0.518 weight 1.000 ! spec=13C_...woLP, no=1864, id=729, vol=9.986886e+08
    or (segid "   C" and resid   39 and name   HB) (segid "   C" and resid   39 and name HG21)
    or (segid "   C" and resid   39 and name   HB) (segid "   C" and resid   39 and name HG23)
    or (segid "   C" and resid   39 and name   HB) (segid "   C" and resid   39 and name HG12)
    or (segid "   C" and resid   39 and name   HB) (segid "   C" and resid   39 and name HG11)
    or (segid "   C" and resid   39 and name   HB) (segid "   C" and resid   39 and name HG13)
assign (segid "   C" and resid   51 and name  HB2) (segid "   C" and resid   51 and name   HA) 3.232 1.306 1.306 weight 1.000 ! spec=13C_...woLP, no=1868, id=731, vol=1.039100e+08
    or (segid "   C" and resid   51 and name   HA) (segid "   C" and resid   51 and name  HB1)
assign (segid "   C" and resid   55 and name   HA) (segid "   C" and resid   54 and name  HB2) 2.857 1.020 3.143 weight 1.000 ! spec=13C_...woLP, no=1879, id=732, vol=2.299135e+08
    or (segid "   C" and resid   55 and name   HA) (segid "   C" and resid   54 and name  HB1)
assign (segid "   C" and resid   49 and name HG12) (segid "   C" and resid   34 and name   HA) 2.553 0.815 3.447 weight 1.000 ! spec=13C_...woLP, no=1887, id=735, vol=4.163568e+08
    or (segid "   C" and resid   49 and name HG11) (segid "   C" and resid   34 and name   HA)
assign (segid "   C" and resid    6 and name   HA) (segid "   C" and resid    6 and name  HG1) 2.683 0.900 0.900 weight 1.000 ! spec=13C_...woLP, no=1916, id=739, vol=3.482351e+08
    or (segid "   C" and resid    6 and name   HA) (segid "   C" and resid    6 and name  HG2)
assign (segid "   C" and resid   10 and name  HG2) (segid "   C" and resid   10 and name   HA) 2.162 0.584 0.584 weight 1.000 ! spec=13C_...woLP, no=1928, id=740, vol=1.315431e+09
    or (segid "   C" and resid   10 and name  HG1) (segid "   C" and resid   10 and name   HA)
assign (segid "   C" and resid    9 and name  HB2) (segid "   C" and resid   10 and name   HA) 3.464 1.500 1.500 weight 1.000 ! spec=13C_...woLP, no=1929, id=741, vol=1.046151e+08
    or (segid "   C" and resid    9 and name  HB1) (segid "   C" and resid   10 and name   HA)
assign (segid "   C" and resid    6 and name  HG1) (segid "   C" and resid    5 and name   HA) 4.349 2.365 2.365 weight 1.000 ! spec=13C_...woLP, no=1941, id=743, vol=4.486812e+07
    or (segid "   C" and resid    6 and name  HG2) (segid "   C" and resid    5 and name   HA)
assign (segid "   C" and resid   42 and name  HG1) (segid "   C" and resid   42 and name   HA) 2.491 0.776 0.776 weight 1.000 ! spec=13C_...woLP, no=2046, id=750, vol=5.862066e+08
    or (segid "   C" and resid   42 and name  HG2) (segid "   C" and resid   42 and name   HA)
assign (segid "   C" and resid   49 and name HG12) (segid "   C" and resid   49 and name HG22) 2.748 0.944 0.944 weight 1.000 ! spec=13C_...woLP, no=2082, id=753, vol=2.444245e+08
    or (segid "   C" and resid   49 and name HG12) (segid "   C" and resid   49 and name HG21)
    or (segid "   C" and resid   49 and name HG12) (segid "   C" and resid   49 and name HG23)
    or (segid "   C" and resid   49 and name HG11) (segid "   C" and resid   49 and name HG22)
    or (segid "   C" and resid   49 and name HG11) (segid "   C" and resid   49 and name HG21)
    or (segid "   C" and resid   49 and name HG11) (segid "   C" and resid   49 and name HG23)
assign (segid "   C" and resid   49 and name HG12) (segid "   C" and resid   49 and name   HA) 3.116 1.214 1.214 weight 1.000 ! spec=13C_...woLP, no=2095, id=756, vol=2.177966e+08
    or (segid "   C" and resid   49 and name HG11) (segid "   C" and resid   49 and name   HA)
assign (segid "   C" and resid   40 and name  HB2) (segid "   C" and resid   40 and name   HA) 2.878 1.036 1.036 weight 1.000 ! spec=13C_...woLP, no=2137, id=761, vol=2.002550e+08
    or (segid "   C" and resid   40 and name  HB1) (segid "   C" and resid   40 and name   HA)
assign (segid "   C" and resid   43 and name  HD1) (segid "   C" and resid   43 and name   HA) 3.402 1.446 1.446 weight 1.000 ! spec=13C_...woLP, no=2159, id=762, vol=8.387762e+07
    or (segid "   C" and resid   43 and name  HD2) (segid "   C" and resid   43 and name   HA)
assign (segid "   C" and resid   20 and name HD12) (segid "   C" and resid   27 and name  HB1) 3.125 1.221 1.221 weight 1.000 ! spec=13C_...woLP, no=2252, id=775, vol=2.277419e+08
    or (segid "   C" and resid   20 and name HD11) (segid "   C" and resid   27 and name  HB1)
    or (segid "   C" and resid   20 and name HD13) (segid "   C" and resid   27 and name  HB1)
    or (segid "   C" and resid   20 and name HD12) (segid "   C" and resid   27 and name  HB2)
    or (segid "   C" and resid   20 and name HD11) (segid "   C" and resid   27 and name  HB2)
    or (segid "   C" and resid   20 and name HD13) (segid "   C" and resid   27 and name  HB2)
assign (segid "   C" and resid   28 and name  HD1) (segid "   C" and resid   28 and name   HA) 3.707 1.718 1.718 weight 1.000 ! spec=13C_...woLP, no=2258, id=776, vol=2.076377e+08
    or (segid "   C" and resid   28 and name  HD2) (segid "   C" and resid   28 and name   HA)
assign (segid "   C" and resid   28 and name   HA) (segid "   C" and resid   28 and name  HG1) 2.486 0.772 0.772 weight 1.000 ! spec=13C_...woLP, no=2262, id=777, vol=4.697925e+08
    or (segid "   C" and resid   28 and name   HA) (segid "   C" and resid   28 and name  HG2)
assign (segid "   C" and resid   27 and name  HB2) (segid "   C" and resid   28 and name  HG1) 3.335 1.390 1.390 weight 1.000 ! spec=13C_...woLP, no=2265, id=778, vol=9.586693e+07
    or (segid "   C" and resid   27 and name  HB1) (segid "   C" and resid   28 and name  HG1)
assign (segid "   C" and resid   12 and name  HG1) (segid "   C" and resid   13 and name HG12) 3.826 1.830 1.830 weight 1.000 ! spec=13C_...woLP, no=2278, id=780, vol=1.401809e+08
    or (segid "   C" and resid   12 and name  HG1) (segid "   C" and resid   13 and name HG11)
    or (segid "   C" and resid   12 and name  HG1) (segid "   C" and resid   13 and name HG13)
    or (segid "   C" and resid   12 and name  HG2) (segid "   C" and resid   13 and name HG12)
    or (segid "   C" and resid   12 and name  HG2) (segid "   C" and resid   13 and name HG11)
    or (segid "   C" and resid   12 and name  HG2) (segid "   C" and resid   13 and name HG13)
assign (segid "   C" and resid   12 and name  HB1) (segid "   C" and resid   13 and name HG12) 3.382 1.430 1.430 weight 1.000 ! spec=13C_...woLP, no=2279, id=781, vol=2.566264e+08
    or (segid "   C" and resid   12 and name  HB1) (segid "   C" and resid   13 and name HG11)
    or (segid "   C" and resid   12 and name  HB1) (segid "   C" and resid   13 and name HG13)
    or (segid "   C" and resid   12 and name  HB2) (segid "   C" and resid   13 and name HG12)
    or (segid "   C" and resid   12 and name  HB2) (segid "   C" and resid   13 and name HG11)
    or (segid "   C" and resid   12 and name  HB2) (segid "   C" and resid   13 and name HG13)
assign (segid "   C" and resid   54 and name  HG1) (segid "   C" and resid   54 and name  HB2) 2.814 0.989 0.989 weight 1.000 ! spec=13C_...woLP, no=2348, id=790, vol=2.022259e+08
    or (segid "   C" and resid   54 and name  HG2) (segid "   C" and resid   54 and name  HB1)
    or (segid "   C" and resid   54 and name  HG2) (segid "   C" and resid   54 and name  HB2)
assign (segid "   C" and resid   41 and name  HB2) (segid "   C" and resid   42 and name  HG1) 2.675 0.894 0.894 weight 1.000 ! spec=13C_...woLP, no=2399, id=793, vol=3.236654e+08
    or (segid "   C" and resid   41 and name  HB1) (segid "   C" and resid   42 and name  HG1)
    or (segid "   C" and resid   41 and name  HB3) (segid "   C" and resid   42 and name  HG1)
    or (segid "   C" and resid   41 and name  HB2) (segid "   C" and resid   42 and name  HG2)
    or (segid "   C" and resid   41 and name  HB1) (segid "   C" and resid   42 and name  HG2)
    or (segid "   C" and resid   41 and name  HB3) (segid "   C" and resid   42 and name  HG2)
assign (segid "   C" and resid   38 and name  HG1) (segid "   C" and resid   38 and name  HB2) 2.596 0.843 0.843 weight 1.000 ! spec=13C_...woLP, no=2419, id=799, vol=3.207695e+08
    or (segid "   C" and resid   38 and name  HG1) (segid "   C" and resid   38 and name  HB1)
assign (segid "   C" and resid   49 and name HD12) (segid "   C" and resid   49 and name HG12) 1.899 0.451 0.451 weight 1.000 ! spec=13C_...woLP, no=2424, id=801, vol=1.345595e+09
    or (segid "   C" and resid   49 and name HD11) (segid "   C" and resid   49 and name HG12)
    or (segid "   C" and resid   49 and name HD13) (segid "   C" and resid   49 and name HG12)
    or (segid "   C" and resid   49 and name HD12) (segid "   C" and resid   49 and name HG11)
    or (segid "   C" and resid   49 and name HD11) (segid "   C" and resid   49 and name HG11)
    or (segid "   C" and resid   49 and name HD13) (segid "   C" and resid   49 and name HG11)
assign (segid "   C" and resid    5 and name   HA) (segid "   C" and resid    5 and name  HB2) 2.569 0.825 0.825 weight 1.000 ! spec=13C_...woLP, no=2456, id=804, vol=4.166434e+08
    or (segid "   C" and resid    3 and name   HA) (segid "   C" and resid    3 and name  HB1)
    or (segid "   C" and resid    3 and name  HB2) (segid "   C" and resid    3 and name   HA)
assign (segid "   C" and resid    4 and name  HA2) (segid "   C" and resid    3 and name  HB2) 3.998 1.998 1.998 weight 1.000 ! spec=13C_...woLP, no=2458, id=805, vol=7.225576e+07
    or (segid "   C" and resid    4 and name  HA1) (segid "   C" and resid    3 and name  HB1)
    or (segid "   C" and resid    4 and name  HA1) (segid "   C" and resid    3 and name  HB2)
    or (segid "   C" and resid    4 and name  HA2) (segid "   C" and resid    3 and name  HB1)
assign (segid "   C" and resid    4 and name  HA1) (segid "   C" and resid    3 and name  HB1) 3.297 1.359 1.359 weight 1.000 ! spec=13C_...woLP, no=2459, id=806, vol=2.322487e+08
    or (segid "   C" and resid    4 and name  HA1) (segid "   C" and resid    5 and name  HB1)
    or (segid "   C" and resid    4 and name  HA2) (segid "   C" and resid    3 and name  HB1)
    or (segid "   C" and resid    4 and name  HA2) (segid "   C" and resid    3 and name  HB2)
    or (segid "   C" and resid    4 and name  HA2) (segid "   C" and resid    5 and name  HB1)
assign (segid "   C" and resid    5 and name  HG1) (segid "   C" and resid    5 and name  HB2) 2.650 0.878 0.878 weight 1.000 ! spec=13C_...woLP, no=2460, id=807, vol=3.369649e+08
    or (segid "   C" and resid    3 and name  HB1) (segid "   C" and resid    3 and name  HG1)
    or (segid "   C" and resid    3 and name  HG1) (segid "   C" and resid    3 and name  HB2)
    or (segid "   C" and resid    3 and name  HB2) (segid "   C" and resid    3 and name  HG2)
assign (segid "   C" and resid   42 and name   HA) (segid "   C" and resid   42 and name  HB1) 2.625 0.861 0.861 weight 1.000 ! spec=13C_...woLP, no=2485, id=811, vol=3.589985e+08
    or (segid "   C" and resid   42 and name   HA) (segid "   C" and resid   42 and name  HB2)
assign (segid "   C" and resid   50 and name  HE1) (segid "   C" and resid   49 and name HD12) 3.152 1.242 1.242 weight 1.000 ! spec=13C_...woLP, no=2561, id=822, vol=1.737809e+08
    or (segid "   C" and resid   50 and name  HE1) (segid "   C" and resid   49 and name HD11)
    or (segid "   C" and resid   50 and name  HE1) (segid "   C" and resid   49 and name HD13)
    or (segid "   C" and resid   50 and name  HE2) (segid "   C" and resid   49 and name HD12)
    or (segid "   C" and resid   50 and name  HE2) (segid "   C" and resid   49 and name HD11)
    or (segid "   C" and resid   50 and name  HE2) (segid "   C" and resid   49 and name HD13)
    or (segid "   C" and resid   49 and name HD12) (segid "   C" and resid   50 and name   HZ)
    or (segid "   C" and resid   49 and name HD11) (segid "   C" and resid   50 and name   HZ)
    or (segid "   C" and resid   49 and name HD13) (segid "   C" and resid   50 and name   HZ)
assign (segid "   C" and resid   45 and name  HD1) (segid "   C" and resid   44 and name HG21) 4.057 2.057 2.057 weight 1.000 ! spec=13C_...woLP, no=2599, id=824, vol=4.530232e+07
    or (segid "   C" and resid   45 and name  HD1) (segid "   C" and resid   44 and name HG22)
    or (segid "   C" and resid   45 and name  HD1) (segid "   C" and resid   44 and name HG23)
    or (segid "   C" and resid   45 and name  HD2) (segid "   C" and resid   44 and name HG21)
    or (segid "   C" and resid   45 and name  HD2) (segid "   C" and resid   44 and name HG22)
    or (segid "   C" and resid   45 and name  HD2) (segid "   C" and resid   44 and name HG23)
assign (segid "   C" and resid    6 and name  HD2) (segid "   C" and resid    6 and name   HA) 2.665 0.888 0.888 weight 1.000 ! spec=13C_...woLP, no=2656, id=831, vol=2.519869e+08
    or (segid "   C" and resid    6 and name  HD1) (segid "   C" and resid    6 and name   HA)
assign (segid "   C" and resid   40 and name  HG2) (segid "   C" and resid   40 and name   HA) 3.171 1.257 1.257 weight 1.000 ! spec=13C_...woLP, no=2678, id=834, vol=1.451313e+08
    or (segid "   C" and resid   40 and name  HG1) (segid "   C" and resid   40 and name   HA)
assign (segid "   C" and resid   19 and name   HA) (segid "   C" and resid   19 and name  HG2) 2.240 0.627 0.627 weight 1.000 ! spec=13C_...woLP, no=2682, id=835, vol=9.880021e+08
    or (segid "   C" and resid   19 and name  HB1) (segid "   C" and resid   19 and name   HA)
assign (segid "   C" and resid   20 and name HD12) (segid "   C" and resid   20 and name   HG) 2.147 0.576 0.576 weight 1.000 ! spec=13C_...woLP, no=2710, id=846, vol=7.910857e+08
    or (segid "   C" and resid   20 and name HD11) (segid "   C" and resid   20 and name   HG)
    or (segid "   C" and resid   20 and name HD13) (segid "   C" and resid   20 and name   HG)
    or (segid "   C" and resid   20 and name HD12) (segid "   C" and resid   20 and name  HB2)
    or (segid "   C" and resid   20 and name HD11) (segid "   C" and resid   20 and name  HB2)
    or (segid "   C" and resid   20 and name HD13) (segid "   C" and resid   20 and name  HB2)
assign (segid "   C" and resid    8 and name  HB2) (segid "   C" and resid   11 and name  HB1) 3.316 1.374 1.374 weight 1.000 ! spec=13C_...woLP, no=2732, id=855, vol=9.830041e+07
    or (segid "   C" and resid    8 and name  HB1) (segid "   C" and resid   11 and name  HB1)
assign (segid "   C" and resid   53 and name   HA) (segid "   C" and resid   53 and name  HB2) 2.980 1.110 1.110 weight 1.000 ! spec=13C_...woLP, no=2750, id=856, vol=1.657192e+08
    or (segid "   C" and resid   53 and name   HA) (segid "   C" and resid   53 and name  HB1)
assign (segid "   C" and resid    6 and name  HD1) (segid "   C" and resid    8 and name HD12) 3.441 1.480 1.480 weight 1.000 ! spec=13C_...woLP, no=2758, id=859, vol=9.932886e+07
    or (segid "   C" and resid    6 and name  HD1) (segid "   C" and resid    8 and name HD11)
    or (segid "   C" and resid    6 and name  HD1) (segid "   C" and resid    8 and name HD13)
    or (segid "   C" and resid    6 and name  HD2) (segid "   C" and resid    8 and name HD12)
    or (segid "   C" and resid    6 and name  HD2) (segid "   C" and resid    8 and name HD11)
    or (segid "   C" and resid    6 and name  HD2) (segid "   C" and resid    8 and name HD13)
assign (segid "   C" and resid    6 and name   HN) (segid "   C" and resid    6 and name  HD1) 4.387 2.406 2.406 weight 1.000 ! spec=15N_...Y_FI, no=192, id=24, vol=1.169711e+07
    or (segid "   C" and resid    6 and name   HN) (segid "   C" and resid    6 and name  HD2)
assign (segid "   C" and resid    6 and name   HN) (segid "   C" and resid    6 and name  HB1) 2.520 0.794 0.794 weight 1.000 ! spec=15N_...Y_FI, no=195, id=27, vol=8.846882e+07
    or (segid "   C" and resid    6 and name   HN) (segid "   C" and resid    6 and name  HB2)
assign (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    8 and name  HB2) 2.115 0.559 0.559 weight 1.000 ! spec=15N_...Y_FI, no=214, id=31, vol=1.959320e+08
    or (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    8 and name   HG)
    or (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    8 and name  HB1)
assign (segid "   C" and resid    9 and name   HN) (segid "   C" and resid    8 and name  HB1) 3.146 1.237 1.237 weight 1.000 ! spec=15N_...Y_FI, no=236, id=33, vol=5.076906e+07
    or (segid "   C" and resid    9 and name   HN) (segid "   C" and resid    8 and name  HB2)
assign (segid "   C" and resid   10 and name   HN) (segid "   C" and resid    9 and name  HB2) 3.008 1.131 1.131 weight 1.000 ! spec=15N_...Y_FI, no=251, id=37, vol=4.215092e+07
    or (segid "   C" and resid   10 and name   HN) (segid "   C" and resid    9 and name  HB1)
assign (segid "   C" and resid   11 and name   HN) (segid "   C" and resid   10 and name  HB1) 3.137 1.230 1.230 weight 1.000 ! spec=15N_...Y_FI, no=276, id=43, vol=2.800122e+07
    or (segid "   C" and resid   11 and name   HN) (segid "   C" and resid   10 and name  HB2)
assign (segid "   C" and resid   13 and name   HN) (segid "   C" and resid   14 and name   HN) 2.166 0.586 0.586 weight 1.000 ! spec=15N_...Y_FI, no=318, id=68, vol=1.504649e+08
    or (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   15 and name   HN)
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   15 and name  HB1) 4.302 2.313 2.313 weight 1.000 ! spec=15N_...Y_FI, no=333, id=75, vol=1.044364e+07
    or (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   15 and name  HB2)
assign (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   15 and name  HB1) 2.033 0.517 0.517 weight 1.000 ! spec=15N_...Y_FI, no=345, id=86, vol=2.506300e+08
    or (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   15 and name  HB2)
assign (segid "   C" and resid   16 and name   HN) (segid "   C" and resid   15 and name  HB2) 2.359 0.696 0.696 weight 1.000 ! spec=15N_...Y_FI, no=373, id=98, vol=1.137207e+08
    or (segid "   C" and resid   16 and name   HN) (segid "   C" and resid   15 and name  HB1)
assign (segid "   C" and resid   16 and name   HN) (segid "   C" and resid   15 and name  HD1) 3.630 1.648 1.648 weight 1.000 ! spec=15N_...Y_FI, no=381, id=102, vol=3.274930e+07
    or (segid "   C" and resid   16 and name   HN) (segid "   C" and resid   15 and name  HD2)
assign (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   15 and name  HB1) 4.127 2.129 2.129 weight 1.000 ! spec=15N_...Y_FI, no=398, id=114, vol=1.035319e+07
    or (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   15 and name  HB2)
assign (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   19 and name  HG2) 3.318 1.376 1.376 weight 1.000 ! spec=15N_...Y_FI, no=438, id=130, vol=3.256532e+07
    or (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   19 and name  HB1)
assign (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   26 and name  HB1) 2.484 0.772 0.772 weight 1.000 ! spec=15N_...Y_FI, no=501, id=142, vol=5.689304e+07
    or (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   23 and name  HB1)
assign (segid "   C" and resid   33 and name   HN) (segid "   C" and resid   50 and name  HE1) 4.467 2.494 2.494 weight 1.000 ! spec=15N_...Y_FI, no=618, id=160, vol=1.175348e+07
    or (segid "   C" and resid   33 and name   HN) (segid "   C" and resid   50 and name  HE2)
    or (segid "   C" and resid   33 and name   HN) (segid "   C" and resid   50 and name   HZ)
assign (segid "   C" and resid   33 and name   HN) (segid "   C" and resid   30 and name  HB1) 3.770 1.777 1.777 weight 1.000 ! spec=15N_...Y_FI, no=629, id=167, vol=2.712075e+07
    or (segid "   C" and resid   33 and name   HN) (segid "   C" and resid   32 and name  HG1)
    or (segid "   C" and resid   33 and name   HN) (segid "   C" and resid   32 and name  HG2)
assign (segid "   C" and resid   40 and name   HN) (segid "   C" and resid   39 and name   HA) 2.398 0.719 0.719 weight 1.000 ! spec=15N_...Y_FI, no=693, id=183, vol=9.084004e+07
    or (segid "   C" and resid   40 and name   HN) (segid "   C" and resid   40 and name   HA)
assign (segid "   C" and resid   53 and name   HN) (segid "   C" and resid   52 and name  HB1) 3.231 1.305 1.305 weight 1.000 ! spec=15N_...Y_FI, no=837, id=186, vol=2.534432e+07
    or (segid "   C" and resid   53 and name   HN) (segid "   C" and resid   52 and name  HB2)
assign (segid "   C" and resid   53 and name   HN) (segid "   C" and resid   52 and name  HG1) 4.015 2.015 2.015 weight 1.000 ! spec=15N_...Y_FI, no=838, id=187, vol=1.244022e+07
    or (segid "   C" and resid   53 and name   HN) (segid "   C" and resid   52 and name  HG2)
assign (segid "   C" and resid   56 and name   HN) (segid "   C" and resid   56 and name  HB2) 2.933 1.075 1.075 weight 1.000 ! spec=15N_...Y_FI, no=863, id=189, vol=4.184359e+07
    or (segid "   C" and resid   56 and name   HN) (segid "   C" and resid   56 and name  HB1)
assign (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   24 and name  HB2) 2.914 1.062 1.062 weight 1.000 ! spec=15N_...Y_FI, no=1005, id=225, vol=3.668216e+07
    or (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   24 and name  HB1)
assign (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   42 and name  HG1) 3.075 1.182 1.182 weight 1.000 ! spec=15N_...Y_FI, no=1130, id=250, vol=2.793438e+07
    or (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   42 and name  HG2)
assign (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   42 and name  HB1) 3.056 1.167 1.167 weight 1.000 ! spec=15N_...Y_FI, no=1132, id=251, vol=2.588122e+07
    or (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   42 and name  HB2)
assign (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   39 and name HG12) 3.520 1.549 1.549 weight 1.000 ! spec=15N_...Y_FI, no=1136, id=253, vol=1.873878e+07
    or (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   39 and name HG11)
    or (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   39 and name HG13)
    or (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   39 and name HG22)
    or (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   39 and name HG21)
    or (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   39 and name HG23)
assign (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   43 and name  HB2) 3.175 1.260 1.260 weight 1.000 ! spec=15N_...Y_FI, no=1144, id=256, vol=1.738195e+07
    or (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   42 and name  HB1)
assign (segid "   C" and resid   49 and name   HN) (segid "   C" and resid   49 and name HG12) 2.557 0.817 0.817 weight 1.000 ! spec=15N_...Y_FI, no=1221, id=270, vol=3.542253e+07
    or (segid "   C" and resid   49 and name   HN) (segid "   C" and resid   49 and name HG11)
assign (segid "   C" and resid   50 and name   HN) (segid "   C" and resid   49 and name HG12) 3.328 1.384 1.384 weight 1.000 ! spec=15N_...Y_FI, no=1235, id=279, vol=1.072384e+07
    or (segid "   C" and resid   50 and name   HN) (segid "   C" and resid   49 and name HG11)
assign (segid "   C" and resid   55 and name   HN) (segid "   C" and resid   55 and name  HG1) 3.826 1.830 1.830 weight 1.000 ! spec=15N_...Y_FI, no=1295, id=288, vol=7.607888e+06
    or (segid "   C" and resid   55 and name   HN) (segid "   C" and resid   55 and name  HG2)
assign (segid "   C" and resid    7 and name   HN) (segid "   C" and resid    6 and name  HB1) 3.501 1.532 1.532 weight 1.000 ! spec=15N_...Y_FI, no=1382, id=306, vol=2.730498e+07
    or (segid "   C" and resid    7 and name   HN) (segid "   C" and resid    6 and name  HB2)
assign (segid "   C" and resid    7 and name   HN) (segid "   C" and resid    6 and name  HG1) 4.314 2.326 2.326 weight 1.000 ! spec=15N_...Y_FI, no=1383, id=307, vol=1.149747e+07
    or (segid "   C" and resid    7 and name   HN) (segid "   C" and resid    6 and name  HG2)
assign (segid "   C" and resid    9 and name   HN) (segid "   C" and resid   10 and name  HB1) 3.821 1.825 1.825 weight 1.000 ! spec=15N_...Y_FI, no=1405, id=312, vol=3.848642e+07
    or (segid "   C" and resid    9 and name   HN) (segid "   C" and resid   10 and name  HB2)
assign (segid "   C" and resid   41 and name   HN) (segid "   C" and resid   39 and name HG22) 3.908 1.909 1.909 weight 1.000 ! spec=15N_...Y_FI, no=1432, id=316, vol=1.113500e+07
    or (segid "   C" and resid   41 and name   HN) (segid "   C" and resid   39 and name HG21)
    or (segid "   C" and resid   41 and name   HN) (segid "   C" and resid   39 and name HG23)
    or (segid "   C" and resid   41 and name   HN) (segid "   C" and resid   39 and name HG12)
    or (segid "   C" and resid   41 and name   HN) (segid "   C" and resid   39 and name HG11)
    or (segid "   C" and resid   41 and name   HN) (segid "   C" and resid   39 and name HG13)
assign (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   43 and name  HG1) 3.603 1.623 1.623 weight 1.000 ! spec=15N_...Y_FI, no=1527, id=319, vol=1.096726e+07
    or (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   43 and name  HG2)
assign (segid "   C" and resid    4 and name   HN) (segid "   C" and resid    4 and name  HA2) 3.018 1.139 1.139 weight 1.000 ! spec=15N_...Y_FI, no=1546, id=320, vol=2.759715e+07
    or (segid "   C" and resid    4 and name   HN) (segid "   C" and resid    4 and name  HA1)
assign (segid "   C" and resid   41 and name   HN) (segid "   C" and resid   40 and name  HB2) 3.720 1.730 1.730 weight 1.000 ! spec=15N_...Y_FI, no=1561, id=321, vol=2.097350e+07
    or (segid "   C" and resid   41 and name   HN) (segid "   C" and resid   40 and name  HB1)
assign (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   27 and name  HB2) 2.517 0.792 0.792 weight 1.000 ! spec=15N_...Y_FI, no=1623, id=334, vol=7.967206e+07
    or (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   27 and name  HB1)
assign (segid "   C" and resid   53 and name   HN) (segid "   C" and resid   53 and name  HB1) 3.200 1.280 1.280 weight 1.000 ! spec=15N_...Y_FI, no=1641, id=337, vol=2.338324e+07
    or (segid "   C" and resid   53 and name   HN) (segid "   C" and resid   53 and name  HB2)
assign (segid "   C" and resid   41 and name   HN) (segid "   C" and resid   42 and name  HG1) 4.340 2.355 2.355 weight 1.000 ! spec=15N_...Y_FI, no=1652, id=339, vol=7.787161e+06
    or (segid "   C" and resid   41 and name   HN) (segid "   C" and resid   42 and name  HG2)
assign (segid "   C" and resid   10 and name   HN) (segid "   C" and resid   10 and name  HG1) 2.493 0.777 0.777 weight 1.000 ! spec=15N_...Y_FI, no=1722, id=343, vol=8.329360e+07
    or (segid "   C" and resid   10 and name   HN) (segid "   C" and resid   10 and name  HG2)
assign (segid "   C" and resid   15 and name   HE) (segid "   C" and resid   15 and name  HD1) 3.200 1.280 1.280 weight 1.000 ! spec=15N_...Y_FI, no=1730, id=345, vol=1.770855e+07
    or (segid "   C" and resid   15 and name   HE) (segid "   C" and resid   15 and name  HD2)
assign (segid "   C" and resid   15 and name   HE) (segid "   C" and resid   15 and name  HB2) 4.800 2.880 2.880 weight 1.000 ! spec=15N_...Y_FI, no=1732, id=347, vol=6.848329e+06
    or (segid "   C" and resid   15 and name   HE) (segid "   C" and resid   15 and name  HB1)
assign (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   43 and name  HG2) 3.930 1.930 1.930 weight 1.000 ! spec=15N_...Y_FI, no=1735, id=349, vol=6.407027e+06
    or (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   43 and name  HG1)
assign (segid "   C" and resid   40 and name   HN) (segid "   C" and resid   39 and name HG12) 3.495 1.527 1.527 weight 1.000 ! spec=15N_...Y_FI, no=1751, id=350, vol=2.728457e+07
    or (segid "   C" and resid   40 and name   HN) (segid "   C" and resid   39 and name HG11)
    or (segid "   C" and resid   40 and name   HN) (segid "   C" and resid   39 and name HG13)
    or (segid "   C" and resid   40 and name   HN) (segid "   C" and resid   39 and name HG22)
    or (segid "   C" and resid   40 and name   HN) (segid "   C" and resid   39 and name HG21)
    or (segid "   C" and resid   40 and name   HN) (segid "   C" and resid   39 and name HG23)
assign (segid "   C" and resid   51 and name   HN) (segid "   C" and resid   52 and name  HG1) 4.219 2.225 2.225 weight 1.000 ! spec=15N_...Y_FI, no=1778, id=353, vol=1.054592e+07
    or (segid "   C" and resid   51 and name   HN) (segid "   C" and resid   52 and name  HG2)
assign (segid "   C" and resid   52 and name   HN) (segid "   C" and resid   51 and name  HB2) 3.157 1.246 1.246 weight 1.000 ! spec=15N_...Y_FI, no=1787, id=355, vol=2.110604e+07
    or (segid "   C" and resid   52 and name   HN) (segid "   C" and resid   51 and name  HB1)
assign (segid "   C" and resid   54 and name   HN) (segid "   C" and resid   53 and name  HG1) 5.025 3.157 3.157 weight 1.000 ! spec=15N_...Y_FI, no=1802, id=356, vol=8.840498e+06
    or (segid "   C" and resid   54 and name   HN) (segid "   C" and resid   53 and name  HG2)
assign (segid "   C" and resid   54 and name   HN) (segid "   C" and resid   54 and name  HB2) 3.119 1.216 1.216 weight 1.000 ! spec=15N_...Y_FI, no=1803, id=357, vol=2.320790e+07
    or (segid "   C" and resid   54 and name   HN) (segid "   C" and resid   54 and name  HB1)
assign (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   19 and name  HB1) 2.240 0.627 0.627 weight 1.000 ! spec=15N_...Y_FI, no=1821, id=362, vol=1.443846e+08
    or (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   19 and name  HG2)
assign (segid "   C" and resid   11 and name   HN) (segid "   C" and resid   10 and name  HG1) 3.125 1.220 1.220 weight 1.000 ! spec=NOES..._H2O, no=173, id=908, vol=4.457398e+05
    or (segid "   C" and resid   11 and name   HN) (segid "   C" and resid   10 and name  HG2)
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  9  and name HN   )
       ( resid  9  and name N  ) -1.82432 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  10  and name HN   )
       ( resid  10  and name N  ) 2.37161 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  11  and name HN   )
       ( resid  11  and name N  ) -3.34458 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  12  and name HN   )
       ( resid  12  and name N  ) -4.86485 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  13  and name HN   )
       ( resid  13  and name N  ) -1.09459 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  14  and name HN   )
       ( resid  14  and name N  ) -4.74323 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  15  and name HN   )
       ( resid  15  and name N  ) -4.19594 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  16  and name HN   )
       ( resid  16  and name N  ) -2.24999 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  17  and name HN   )
       ( resid  17  and name N  ) -5.29053 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  18  and name HN   )
       ( resid  18  and name N  ) 0.97297 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  19  and name HN   )
       ( resid  19  and name N  ) -5.65539 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  25  and name HN   )
       ( resid  25  and name N  ) 2.12838 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  26  and name HN   )
       ( resid  26  and name N  ) -2.61486 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  27  and name HN   )
       ( resid  27  and name N  ) -3.16215 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  28  and name HN   )
       ( resid  28  and name N  ) 5.22971 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  29  and name HN   )
       ( resid  29  and name N  ) 0.30405 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  31  and name HN   )
       ( resid  31  and name N  ) -5.95945 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  32  and name HN   )
       ( resid  32  and name N  ) -4.62161 0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  33  and name HN   )
       ( resid  33  and name N  ) -5.53377 0.5
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1  26.451   9.034   6.318
    2    H2   GLY   1           HT2      GLY   1  26.010  10.325   7.320
    3    H3   GLY   1           HT3      GLY   1  24.850   9.573   6.348
    4    HA2  GLY   1           HA1      GLY   1  26.293   8.300   8.601
    5    HA3  GLY   1           HA2      GLY   1  24.636   8.888   8.656
    6    H    ALA   2           HN       ALA   2  23.033   7.562   8.035
    7    HA   ALA   2           HA       ALA   2  23.770   5.107   6.574
    8    HB1  ALA   2           HB1      ALA   2  21.891   5.236   8.932
    9    HB2  ALA   2           HB2      ALA   2  23.535   4.605   8.973
   10    HB3  ALA   2           HB3      ALA   2  22.304   3.796   8.001
   11    H    MET   3           HN       MET   3  22.328   7.801   6.103
   12    HA   MET   3           HA       MET   3  20.732   8.573   4.699
   13    HB2  MET   3           HB2      MET   3  21.230   6.695   3.224
   14    HB3  MET   3           HB1      MET   3  20.153   5.658   4.151
   15    HG2  MET   3           HG2      MET   3  19.100   6.399   2.094
   16    HG3  MET   3           HG1      MET   3  18.250   7.028   3.503
   17    HE1  MET   3           HE1      MET   3  21.068   9.544   0.857
   18    HE2  MET   3           HE2      MET   3  20.726   7.837   0.588
   19    HE3  MET   3           HE3      MET   3  21.658   8.338   1.998
   20    H    GLY   4           HN       GLY   4  19.414   5.710   6.365
   21    HA2  GLY   4           HA2      GLY   4  17.903   6.719   8.291
   22    HA3  GLY   4           HA1      GLY   4  16.943   7.178   6.890
   23    H    MET   5           HN       MET   5  15.779   5.595   8.718
   24    HA   MET   5           HA       MET   5  16.072   2.821   7.912
   25    HB2  MET   5           HB2      MET   5  15.714   3.476  10.299
   26    HB3  MET   5           HB1      MET   5  14.116   4.060   9.859
   27    HG2  MET   5           HG2      MET   5  13.470   1.807   9.182
   28    HG3  MET   5           HG1      MET   5  15.073   1.216   9.615
   29    HE1  MET   5           HE1      MET   5  16.005   1.126  12.072
   30    HE2  MET   5           HE2      MET   5  15.118   1.674  13.493
   31    HE3  MET   5           HE3      MET   5  15.686   2.845  12.305
   32    H    ARG   6           HN       ARG   6  15.470   3.467   5.675
   33    HA   ARG   6           HA       ARG   6  12.544   3.531   5.344
   34    HB2  ARG   6           HB2      ARG   6  14.637   4.958   3.696
   35    HB3  ARG   6           HB1      ARG   6  12.947   4.826   3.235
   36    HG2  ARG   6           HG2      ARG   6  13.881   6.104   5.795
   37    HG3  ARG   6           HG1      ARG   6  13.605   6.992   4.297
   38    HD2  ARG   6           HD2      ARG   6  11.274   6.287   4.289
   39    HD3  ARG   6           HD1      ARG   6  11.538   5.347   5.756
   40    HE   ARG   6           HE       ARG   6  12.298   7.873   6.435
   41   HH11  ARG   6          HH11      ARG   6   9.393   6.493   5.067
   42   HH12  ARG   6          HH12      ARG   6   8.334   7.633   5.834
   43   HH21  ARG   6          HH21      ARG   6  10.905   9.380   7.444
   44   HH22  ARG   6          HH22      ARG   6   9.196   9.284   7.167
   45    H    ASN   7           HN       ASN   7  13.629   1.134   5.506
   46    HA   ASN   7           HA       ASN   7  13.628   0.210   2.708
   47    HB2  ASN   7           HB2      ASN   7  15.100  -0.989   5.065
   48    HB3  ASN   7           HB1      ASN   7  14.889  -1.809   3.525
   49   HD21  ASN   7          HD21      ASN   7  16.513   0.762   5.207
   50   HD22  ASN   7          HD22      ASN   7  17.657   1.122   3.961
   51    H    LEU   8           HN       LEU   8  11.321   0.284   3.002
   52    HA   LEU   8           HA       LEU   8  10.122  -1.548   4.901
   53    HB2  LEU   8           HB2      LEU   8   8.834   0.170   2.782
   54    HB3  LEU   8           HB1      LEU   8   7.999  -0.673   4.073
   55    HG   LEU   8           HG       LEU   8   9.992   1.558   4.493
   56   HD11  LEU   8          HD11      LEU   8   8.053   2.923   5.079
   57   HD12  LEU   8          HD12      LEU   8   6.981   1.600   4.617
   58   HD13  LEU   8          HD13      LEU   8   7.987   2.388   3.399
   59   HD21  LEU   8          HD21      LEU   8   9.138   1.550   6.786
   60   HD22  LEU   8          HD22      LEU   8   9.885   0.011   6.362
   61   HD23  LEU   8          HD23      LEU   8   8.129   0.156   6.402
   62    H    ASP   9           HN       ASP   9  11.446  -3.263   3.656
   63    HA   ASP   9           HA       ASP   9   9.805  -4.323   1.458
   64    HB2  ASP   9           HB2      ASP   9  12.159  -3.817   0.872
   65    HB3  ASP   9           HB1      ASP   9  12.692  -4.923   2.129
   66    H    GLU  10           HN       GLU  10  10.133  -4.560   4.636
   67    HA   GLU  10           HA       GLU  10  10.240  -7.422   4.951
   68    HB2  GLU  10           HB2      GLU  10   9.472  -5.300   6.962
   69    HB3  GLU  10           HB1      GLU  10   9.886  -6.973   7.318
   70    HG2  GLU  10           HG2      GLU  10  12.148  -6.554   6.402
   71    HG3  GLU  10           HG1      GLU  10  11.715  -4.859   6.209
   72    H    CYS  11           HN       CYS  11   8.065  -5.547   3.650
   73    HA   CYS  11           HA       CYS  11   5.590  -6.151   4.760
   74    HB2  CYS  11           HB2      CYS  11   5.942  -4.431   3.086
   75    HB3  CYS  11           HB1      CYS  11   6.414  -5.637   1.904
   76    H    GLU  12           HN       GLU  12   5.194  -8.219   5.301
   77    HA   GLU  12           HA       GLU  12   5.811 -10.504   3.802
   78    HB2  GLU  12           HB2      GLU  12   5.226 -10.585   6.175
   79    HB3  GLU  12           HB1      GLU  12   3.595 -10.050   5.797
   80    HG2  GLU  12           HG2      GLU  12   3.288 -12.111   4.455
   81    HG3  GLU  12           HG1      GLU  12   4.869 -12.656   5.013
   82    H    VAL  13           HN       VAL  13   3.158  -8.246   3.665
   83    HA   VAL  13           HA       VAL  13   1.290  -9.890   2.376
   84    HB   VAL  13           HB       VAL  13   1.544  -6.887   2.354
   85   HG11  VAL  13          HG11      VAL  13  -0.719  -8.673   1.485
   86   HG12  VAL  13          HG12      VAL  13   0.188  -7.535   0.488
   87   HG13  VAL  13          HG13      VAL  13  -0.876  -6.941   1.763
   88   HG21  VAL  13          HG21      VAL  13  -0.203  -6.990   4.072
   89   HG22  VAL  13          HG22      VAL  13   1.262  -7.829   4.575
   90   HG23  VAL  13          HG23      VAL  13  -0.136  -8.751   4.024
   91    H    CYS  14           HN       CYS  14   3.648  -7.569   1.038
   92    HA   CYS  14           HA       CYS  14   2.912  -7.990  -1.652
   93    HB2  CYS  14           HB2      CYS  14   5.345  -6.884  -0.317
   94    HB3  CYS  14           HB1      CYS  14   5.391  -7.228  -2.044
   95    H    ARG  15           HN       ARG  15   4.977  -9.752   0.511
   96    HA   ARG  15           HA       ARG  15   6.179 -11.407  -1.496
   97    HB2  ARG  15           HB2      ARG  15   5.828 -11.895   1.465
   98    HB3  ARG  15           HB1      ARG  15   6.881 -12.814   0.397
   99    HG2  ARG  15           HG2      ARG  15   8.270 -10.884   0.028
  100    HG3  ARG  15           HG1      ARG  15   7.157  -9.870   0.952
  101    HD2  ARG  15           HD2      ARG  15   7.611 -11.223   2.949
  102    HD3  ARG  15           HD1      ARG  15   8.746 -12.201   2.024
  103    HE   ARG  15           HE       ARG  15   9.662  -9.645   1.722
  104   HH11  ARG  15          HH11      ARG  15   8.938 -11.698   4.463
  105   HH12  ARG  15          HH12      ARG  15  10.113 -10.945   5.495
  106   HH21  ARG  15          HH21      ARG  15  11.207  -8.652   3.077
  107   HH22  ARG  15          HH22      ARG  15  11.408  -9.216   4.708
  108    H    ASP  16           HN       ASP  16   3.415 -11.607   0.627
  109    HA   ASP  16           HA       ASP  16   2.542 -14.183  -0.189
  110    HB2  ASP  16           HB2      ASP  16   1.926 -13.048   1.951
  111    HB3  ASP  16           HB1      ASP  16   0.920 -11.938   1.032
  112    H    GLY  17           HN       GLY  17   2.630 -11.315  -1.859
  113    HA2  GLY  17           HA2      GLY  17   1.902 -10.924  -4.036
  114    HA3  GLY  17           HA1      GLY  17   0.898 -12.363  -3.929
  115    H    GLY  18           HN       GLY  18   0.692 -10.065  -1.402
  116    HA2  GLY  18           HA2      GLY  18  -2.072  -9.589  -1.826
  117    HA3  GLY  18           HA1      GLY  18  -1.050  -8.772  -0.658
  118    H    GLU  19           HN       GLU  19  -3.055  -7.448  -1.955
  119    HA   GLU  19           HA       GLU  19  -2.010  -6.051  -4.259
  120    HB2  GLU  19           HB2      GLU  19  -4.548  -5.655  -2.665
  121    HB3  GLU  19           HB1      GLU  19  -4.176  -4.861  -4.189
  122    HG2  GLU  19           HG2      GLU  19  -4.233  -6.937  -5.365
  123    HG3  GLU  19           HG1      GLU  19  -4.363  -7.844  -3.860
  124    H    LEU  20           HN       LEU  20  -1.830  -3.722  -4.339
  125    HA   LEU  20           HA       LEU  20  -1.130  -2.508  -1.744
  126    HB2  LEU  20           HB2      LEU  20   0.772  -3.174  -3.373
  127    HB3  LEU  20           HB1      LEU  20   0.218  -1.833  -4.352
  128    HG   LEU  20           HG       LEU  20   1.103  -1.503  -1.482
  129   HD11  LEU  20          HD11      LEU  20   2.951  -2.415  -2.781
  130   HD12  LEU  20          HD12      LEU  20   3.238  -0.717  -2.396
  131   HD13  LEU  20          HD13      LEU  20   2.712  -1.178  -4.015
  132   HD21  LEU  20          HD21      LEU  20  -0.292   0.305  -2.427
  133   HD22  LEU  20          HD22      LEU  20   0.868   0.487  -3.743
  134   HD23  LEU  20          HD23      LEU  20   1.356   0.830  -2.085
  135    H    PHE  21           HN       PHE  21  -2.229  -0.650  -1.327
  136    HA   PHE  21           HA       PHE  21  -3.646   0.598  -3.596
  137    HB2  PHE  21           HB2      PHE  21  -4.607   0.360  -0.732
  138    HB3  PHE  21           HB1      PHE  21  -5.488   1.122  -2.055
  139    HD1  PHE  21           HD2      PHE  21  -6.061  -0.376  -4.082
  140    HD2  PHE  21           HD1      PHE  21  -4.915  -1.895  -0.266
  141    HE1  PHE  21           HE2      PHE  21  -7.075  -2.546  -4.639
  142    HE2  PHE  21           HE1      PHE  21  -5.926  -4.065  -0.826
  143    HZ   PHE  21           HZ       PHE  21  -7.007  -4.390  -3.012
  144    H    CYS  22           HN       CYS  22  -1.344   1.683  -3.379
  145    HA   CYS  22           HA       CYS  22  -1.839   4.297  -2.226
  146    HB2  CYS  22           HB2      CYS  22   0.229   2.416  -1.187
  147    HB3  CYS  22           HB1      CYS  22   0.659   4.118  -1.317
  148    H    CYS  23           HN       CYS  23  -0.641   5.934  -3.182
  149    HA   CYS  23           HA       CYS  23   0.441   5.539  -5.758
  150    HB2  CYS  23           HB2      CYS  23   1.132   7.897  -4.004
  151    HB3  CYS  23           HB1      CYS  23   0.912   7.862  -5.754
  152    H    ASP  24           HN       ASP  24   2.770   6.081  -6.350
  153    HA   ASP  24           HA       ASP  24   4.579   4.427  -5.037
  154    HB2  ASP  24           HB2      ASP  24   5.021   5.173  -7.294
  155    HB3  ASP  24           HB1      ASP  24   5.122   6.849  -6.765
  156    H    THR  25           HN       THR  25   4.258   7.952  -4.791
  157    HA   THR  25           HA       THR  25   6.216   8.409  -2.869
  158    HB   THR  25           HB       THR  25   3.609   9.907  -3.142
  159    HG1  THR  25           HG1      THR  25   4.786  11.174  -4.661
  160   HG21  THR  25          HG21      THR  25   4.934  10.478  -1.146
  161   HG22  THR  25          HG22      THR  25   4.880  11.809  -2.301
  162   HG23  THR  25          HG23      THR  25   6.327  10.807  -2.178
  163    H    CYS  26           HN       CYS  26   2.789   7.640  -2.455
  164    HA   CYS  26           HA       CYS  26   2.777   7.832   0.365
  165    HB2  CYS  26           HB2      CYS  26   0.900   6.353  -1.492
  166    HB3  CYS  26           HB1      CYS  26   0.575   6.721   0.200
  167    H    SER  27           HN       SER  27   3.435   5.213  -1.869
  168    HA   SER  27           HA       SER  27   3.436   3.133   0.078
  169    HB2  SER  27           HB2      SER  27   3.095   2.770  -2.362
  170    HB3  SER  27           HB1      SER  27   4.775   3.218  -2.638
  171    HG   SER  27           HG       SER  27   4.991   1.114  -2.440
  172    H    ARG  28           HN       ARG  28   5.875   5.290  -1.263
  173    HA   ARG  28           HA       ARG  28   8.178   4.014  -0.319
  174    HB2  ARG  28           HB2      ARG  28   7.574   6.905  -0.885
  175    HB3  ARG  28           HB1      ARG  28   9.170   6.357  -0.403
  176    HG2  ARG  28           HG2      ARG  28   9.329   4.969  -2.366
  177    HG3  ARG  28           HG1      ARG  28   7.681   5.389  -2.832
  178    HD2  ARG  28           HD2      ARG  28   9.272   6.695  -4.111
  179    HD3  ARG  28           HD1      ARG  28   8.353   7.738  -3.027
  180    HE   ARG  28           HE       ARG  28  10.726   6.962  -1.741
  181   HH11  ARG  28          HH11      ARG  28   9.629   8.971  -4.389
  182   HH12  ARG  28          HH12      ARG  28  10.986  10.049  -4.302
  183   HH21  ARG  28          HH21      ARG  28  12.500   8.400  -1.603
  184   HH22  ARG  28          HH22      ARG  28  12.616   9.729  -2.713
  185    H    VAL  29           HN       VAL  29   5.826   5.922   1.328
  186    HA   VAL  29           HA       VAL  29   7.626   6.188   3.623
  187    HB   VAL  29           HB       VAL  29   6.031   7.955   4.439
  188   HG11  VAL  29          HG11      VAL  29   6.917   9.669   2.897
  189   HG12  VAL  29          HG12      VAL  29   7.470   8.381   1.823
  190   HG13  VAL  29          HG13      VAL  29   8.152   8.535   3.443
  191   HG21  VAL  29          HG21      VAL  29   4.539   9.000   2.855
  192   HG22  VAL  29          HG22      VAL  29   4.113   7.297   3.020
  193   HG23  VAL  29          HG23      VAL  29   5.005   7.850   1.605
  194    H    PHE  30           HN       PHE  30   4.320   5.171   2.766
  195    HA   PHE  30           HA       PHE  30   4.143   4.048   5.493
  196    HB2  PHE  30           HB2      PHE  30   1.790   4.998   3.855
  197    HB3  PHE  30           HB1      PHE  30   1.777   4.471   5.531
  198    HD1  PHE  30           HD2      PHE  30   3.857   5.931   6.834
  199    HD2  PHE  30           HD1      PHE  30   1.253   7.219   3.715
  200    HE1  PHE  30           HE2      PHE  30   4.145   8.265   7.554
  201    HE2  PHE  30           HE1      PHE  30   1.541   9.552   4.438
  202    HZ   PHE  30           HZ       PHE  30   2.987  10.072   6.357
  203    H    HIS  31           HN       HIS  31   5.167   2.676   3.198
  204    HA   HIS  31           HA       HIS  31   3.463   1.137   1.713
  205    HB2  HIS  31           HB2      HIS  31   5.940   1.177   1.514
  206    HB3  HIS  31           HB1      HIS  31   6.044   0.174   2.953
  207    HD1  HIS  31           HD1      HIS  31   4.698  -0.021  -0.615
  208    HD2  HIS  31           HD2      HIS  31   5.974  -2.474   2.492
  209    HE1  HIS  31           HE1      HIS  31   4.816  -2.374  -1.556
  210    H    GLU  32           HN       GLU  32   4.658   0.353   4.959
  211    HA   GLU  32           HA       GLU  32   3.551  -2.220   5.107
  212    HB2  GLU  32           HB2      GLU  32   4.239  -0.268   7.308
  213    HB3  GLU  32           HB1      GLU  32   3.893  -1.974   7.558
  214    HG2  GLU  32           HG2      GLU  32   6.135  -0.946   5.838
  215    HG3  GLU  32           HG1      GLU  32   6.313  -1.406   7.530
  216    H    ASP  33           HN       ASP  33   2.307   0.922   5.998
  217    HA   ASP  33           HA       ASP  33  -0.077  -0.103   7.230
  218    HB2  ASP  33           HB2      ASP  33   1.209   2.110   7.711
  219    HB3  ASP  33           HB1      ASP  33   0.301   2.736   6.341
  220    H    CYS  34           HN       CYS  34   0.927   0.835   4.084
  221    HA   CYS  34           HA       CYS  34  -1.606   1.484   2.979
  222    HB2  CYS  34           HB2      CYS  34   1.084   0.821   1.823
  223    HB3  CYS  34           HB1      CYS  34  -0.322   1.017   0.778
  224    H    HIS  35           HN       HIS  35  -0.421  -1.448   4.008
  225    HA   HIS  35           HA       HIS  35  -2.109  -2.922   2.097
  226    HB2  HIS  35           HB2      HIS  35   0.140  -3.910   3.858
  227    HB3  HIS  35           HB1      HIS  35  -0.872  -4.942   2.857
  228    HD1  HIS  35           HD1      HIS  35  -0.345  -5.000   0.310
  229    HD2  HIS  35           HD2      HIS  35   1.982  -2.331   2.485
  230    HE1  HIS  35           HE1      HIS  35   1.605  -4.376  -1.175
  231    H    ILE  36           HN       ILE  36  -2.625  -1.442   4.799
  232    HA   ILE  36           HA       ILE  36  -4.161  -3.645   6.003
  233    HB   ILE  36           HB       ILE  36  -2.667  -1.489   7.507
  234   HG12  ILE  36          HG12      ILE  36  -2.212  -4.479   7.401
  235   HG13  ILE  36          HG11      ILE  36  -1.219  -3.274   6.590
  236   HG21  ILE  36          HG21      ILE  36  -3.400  -2.663   9.530
  237   HG22  ILE  36          HG22      ILE  36  -4.348  -3.771   8.540
  238   HG23  ILE  36          HG23      ILE  36  -4.771  -2.060   8.599
  239   HD11  ILE  36          HD11      ILE  36  -0.547  -2.360   8.728
  240   HD12  ILE  36          HD12      ILE  36  -0.194  -4.085   8.651
  241   HD13  ILE  36          HD13      ILE  36  -1.587  -3.508   9.566
  242    HA   PRO  37           HA       PRO  37  -5.829  -4.138   6.904
  243    HB2  PRO  37           HB2      PRO  37  -8.413  -4.596   6.330
  244    HB3  PRO  37           HB1      PRO  37  -7.932  -3.725   7.796
  245    HG2  PRO  37           HG2      PRO  37  -8.959  -2.651   5.199
  246    HG3  PRO  37           HG1      PRO  37  -9.358  -2.155   6.855
  247    HD2  PRO  37           HD2      PRO  37  -7.564  -0.837   5.230
  248    HD3  PRO  37           HD1      PRO  37  -7.532  -0.782   7.003
  249    HA   PRO  38           HA       PRO  38  -5.412  -5.643   2.720
  250    HB2  PRO  38           HB2      PRO  38  -4.589  -8.129   3.278
  251    HB3  PRO  38           HB1      PRO  38  -3.563  -6.726   3.594
  252    HG2  PRO  38           HG2      PRO  38  -5.146  -8.383   5.493
  253    HG3  PRO  38           HG1      PRO  38  -3.587  -7.579   5.734
  254    HD2  PRO  38           HD2      PRO  38  -6.098  -6.629   6.580
  255    HD3  PRO  38           HD1      PRO  38  -4.594  -5.688   6.505
  256    H    VAL  39           HN       VAL  39  -8.070  -5.691   3.994
  257    HA   VAL  39           HA       VAL  39  -9.151  -8.055   2.660
  258    HB   VAL  39           HB       VAL  39  -9.056  -8.737   4.956
  259   HG11  VAL  39          HG11      VAL  39 -10.179  -7.470   6.752
  260   HG12  VAL  39          HG12      VAL  39 -10.466  -6.155   5.611
  261   HG13  VAL  39          HG13      VAL  39  -8.816  -6.604   6.045
  262   HG21  VAL  39          HG21      VAL  39 -11.427  -9.106   5.463
  263   HG22  VAL  39          HG22      VAL  39 -11.069  -9.385   3.758
  264   HG23  VAL  39          HG23      VAL  39 -11.867  -7.895   4.260
  265    H    GLU  40           HN       GLU  40 -10.564  -7.447   1.219
  266    HA   GLU  40           HA       GLU  40 -12.123  -6.289   0.046
  267    HB2  GLU  40           HB2      GLU  40 -13.221  -5.740   2.811
  268    HB3  GLU  40           HB1      GLU  40 -14.112  -5.570   1.304
  269    HG2  GLU  40           HG2      GLU  40 -13.075  -8.099   2.553
  270    HG3  GLU  40           HG1      GLU  40 -14.755  -7.624   2.305
  271    H    ALA  41           HN       ALA  41  -9.872  -4.820   0.236
  272    HA   ALA  41           HA       ALA  41 -10.753  -2.108   0.944
  273    HB1  ALA  41           HB1      ALA  41  -8.681  -2.848   2.017
  274    HB2  ALA  41           HB2      ALA  41  -8.390  -1.495   0.925
  275    HB3  ALA  41           HB3      ALA  41  -7.960  -3.133   0.434
  276    H    GLU  42           HN       GLU  42 -11.468  -0.914  -0.664
  277    HA   GLU  42           HA       GLU  42 -11.725   0.082  -2.672
  278    HB2  GLU  42           HB2      GLU  42  -8.857  -0.761  -3.119
  279    HB3  GLU  42           HB1      GLU  42  -9.727   0.457  -4.043
  280    HG2  GLU  42           HG2      GLU  42  -8.904   0.579  -1.156
  281    HG3  GLU  42           HG1      GLU  42  -8.335   1.583  -2.488
  282    H    ARG  43           HN       ARG  43  -9.561  -1.525  -4.638
  283    HA   ARG  43           HA       ARG  43  -9.655  -3.129  -6.229
  284    HB2  ARG  43           HB2      ARG  43 -11.861  -4.244  -4.506
  285    HB3  ARG  43           HB1      ARG  43 -11.227  -5.052  -5.929
  286    HG2  ARG  43           HG2      ARG  43  -9.045  -5.225  -4.890
  287    HG3  ARG  43           HG1      ARG  43  -9.631  -4.344  -3.475
  288    HD2  ARG  43           HD2      ARG  43 -11.260  -6.098  -3.048
  289    HD3  ARG  43           HD1      ARG  43 -10.713  -6.972  -4.473
  290    HE   ARG  43           HE       ARG  43  -8.445  -6.838  -3.094
  291   HH11  ARG  43          HH11      ARG  43 -11.699  -7.610  -2.058
  292   HH12  ARG  43          HH12      ARG  43 -11.189  -8.680  -0.790
  293   HH21  ARG  43          HH21      ARG  43  -7.759  -8.238  -1.419
  294   HH22  ARG  43          HH22      ARG  43  -8.938  -9.028  -0.419
  295    H    THR  44           HN       THR  44 -11.832  -0.766  -6.018
  296    HA   THR  44           HA       THR  44 -12.943  -1.443  -8.611
  297    HB   THR  44           HB       THR  44 -14.838  -0.808  -6.338
  298    HG1  THR  44           HG1      THR  44 -13.866  -3.207  -7.376
  299   HG21  THR  44          HG21      THR  44 -15.355  -1.629  -9.202
  300   HG22  THR  44          HG22      THR  44 -15.598  -0.015  -8.536
  301   HG23  THR  44          HG23      THR  44 -16.584  -1.361  -7.968
  302    HA   PRO  45           HA       PRO  45 -11.583  -0.719  -9.734
  303    HB2  PRO  45           HB2      PRO  45  -9.882   1.355 -10.765
  304    HB3  PRO  45           HB1      PRO  45 -11.151   0.468 -11.615
  305    HG2  PRO  45           HG2      PRO  45 -11.281   3.151 -11.036
  306    HG3  PRO  45           HG1      PRO  45 -12.702   2.114 -11.280
  307    HD2  PRO  45           HD2      PRO  45 -11.436   3.011  -8.705
  308    HD3  PRO  45           HD1      PRO  45 -13.158   2.915  -9.143
  309    H    TRP  46           HN       TRP  46  -9.740   2.100  -8.590
  310    HA   TRP  46           HA       TRP  46  -8.292   0.565  -6.651
  311    HB2  TRP  46           HB2      TRP  46  -7.070  -0.037  -8.739
  312    HB3  TRP  46           HB1      TRP  46  -6.776   1.672  -9.035
  313    HD1  TRP  46           HD1      TRP  46  -5.673  -1.202  -6.764
  314    HE1  TRP  46           HE1      TRP  46  -3.473  -0.540  -5.600
  315    HE3  TRP  46           HE3      TRP  46  -5.415   3.691  -8.238
  316    HZ2  TRP  46           HZ2      TRP  46  -1.850   1.753  -5.346
  317    HZ3  TRP  46           HZ3      TRP  46  -3.505   5.047  -7.491
  318    HH2  TRP  46           HH2      TRP  46  -1.761   4.096  -6.075
  319    H    ASN  47           HN       ASN  47  -7.814   1.901  -5.014
  320    HA   ASN  47           HA       ASN  47  -7.385   4.732  -5.582
  321    HB2  ASN  47           HB2      ASN  47  -9.446   3.632  -3.664
  322    HB3  ASN  47           HB1      ASN  47  -8.830   5.277  -3.549
  323   HD21  ASN  47          HD21      ASN  47 -10.819   3.079  -5.326
  324   HD22  ASN  47          HD22      ASN  47 -11.560   4.257  -6.357
  325    H    CYS  48           HN       CYS  48  -6.151   5.804  -4.069
  326    HA   CYS  48           HA       CYS  48  -4.452   4.122  -2.430
  327    HB2  CYS  48           HB2      CYS  48  -3.375   5.823  -3.750
  328    HB3  CYS  48           HB1      CYS  48  -4.453   7.061  -3.133
  329    H    ILE  49           HN       ILE  49  -5.099   3.623  -0.441
  330    HA   ILE  49           HA       ILE  49  -7.383   4.736   0.728
  331    HB   ILE  49           HB       ILE  49  -6.705   3.508   2.817
  332   HG12  ILE  49          HG12      ILE  49  -4.368   2.690   1.071
  333   HG13  ILE  49          HG11      ILE  49  -4.294   3.534   2.613
  334   HG21  ILE  49          HG21      ILE  49  -8.173   2.505   1.198
  335   HG22  ILE  49          HG22      ILE  49  -7.054   1.282   1.800
  336   HG23  ILE  49          HG23      ILE  49  -6.804   1.999   0.210
  337   HD11  ILE  49          HD11      ILE  49  -5.214   1.547   3.718
  338   HD12  ILE  49          HD12      ILE  49  -3.692   1.220   2.893
  339   HD13  ILE  49          HD13      ILE  49  -5.214   0.705   2.168
  340    H    PHE  50           HN       PHE  50  -4.018   5.629   1.105
  341    HA   PHE  50           HA       PHE  50  -4.527   7.313   3.361
  342    HB2  PHE  50           HB2      PHE  50  -2.195   6.883   1.549
  343    HB3  PHE  50           HB1      PHE  50  -2.252   8.369   2.499
  344    HD1  PHE  50           HD2      PHE  50  -2.107   4.692   2.679
  345    HD2  PHE  50           HD1      PHE  50  -1.952   8.345   4.864
  346    HE1  PHE  50           HE2      PHE  50  -1.302   3.474   4.654
  347    HE2  PHE  50           HE1      PHE  50  -1.145   7.133   6.842
  348    HZ   PHE  50           HZ       PHE  50  -0.820   4.697   6.745
  349    H    CYS  51           HN       CYS  51  -4.226   7.885  -0.136
  350    HA   CYS  51           HA       CYS  51  -4.639  10.688   0.093
  351    HB2  CYS  51           HB2      CYS  51  -4.743   8.761  -2.212
  352    HB3  CYS  51           HB1      CYS  51  -5.254  10.432  -2.418
  353    H    ARG  52           HN       ARG  52  -6.779   7.934  -0.170
  354    HA   ARG  52           HA       ARG  52  -9.152   9.368  -0.735
  355    HB2  ARG  52           HB2      ARG  52  -9.069   6.975  -1.080
  356    HB3  ARG  52           HB1      ARG  52  -8.717   6.700   0.621
  357    HG2  ARG  52           HG2      ARG  52 -10.935   7.585   1.206
  358    HG3  ARG  52           HG1      ARG  52 -11.287   7.800  -0.510
  359    HD2  ARG  52           HD2      ARG  52 -11.145   5.425  -0.886
  360    HD3  ARG  52           HD1      ARG  52 -10.601   5.155   0.771
  361    HE   ARG  52           HE       ARG  52 -13.050   6.464   0.905
  362   HH11  ARG  52          HH11      ARG  52 -11.827   3.351  -0.197
  363   HH12  ARG  52          HH12      ARG  52 -13.332   2.536   0.121
  364   HH21  ARG  52          HH21      ARG  52 -15.002   5.356   1.313
  365   HH22  ARG  52          HH22      ARG  52 -15.112   3.658   0.973
  366    H    MET  53           HN       MET  53  -7.438   8.634   2.237
  367    HA   MET  53           HA       MET  53  -9.664   9.748   3.790
  368    HB2  MET  53           HB2      MET  53  -7.267   8.155   4.721
  369    HB3  MET  53           HB1      MET  53  -8.547   8.758   5.764
  370    HG2  MET  53           HG2      MET  53  -8.826   6.729   3.561
  371    HG3  MET  53           HG1      MET  53  -8.910   6.432   5.296
  372    HE1  MET  53           HE1      MET  53 -12.593   5.822   4.077
  373    HE2  MET  53           HE2      MET  53 -11.199   5.127   4.905
  374    HE3  MET  53           HE3      MET  53 -11.118   5.469   3.177
  375    H    LYS  54           HN       LYS  54  -7.584  11.252   2.223
  376    HA   LYS  54           HA       LYS  54  -6.515  13.247   2.390
  377    HB2  LYS  54           HB2      LYS  54  -7.940  13.359   5.053
  378    HB3  LYS  54           HB1      LYS  54  -7.128  14.717   4.293
  379    HG2  LYS  54           HG2      LYS  54  -8.678  14.636   2.428
  380    HG3  LYS  54           HG1      LYS  54  -9.481  13.233   3.137
  381    HD2  LYS  54           HD2      LYS  54  -9.270  15.947   4.439
  382    HD3  LYS  54           HD1      LYS  54 -10.675  15.365   3.550
  383    HE2  LYS  54           HE2      LYS  54 -10.914  13.518   5.150
  384    HE3  LYS  54           HE1      LYS  54  -9.511  14.112   6.038
  385    HZ1  LYS  54           HZ1      LYS  54 -12.046  15.599   5.631
  386    HZ2  LYS  54           HZ2      LYS  54 -10.705  16.148   6.505
  387    HZ3  LYS  54           HZ3      LYS  54 -11.585  14.814   7.056
  388    H    GLU  55           HN       GLU  55  -5.447  14.568   4.656
  389    HA   GLU  55           HA       GLU  55  -3.589  14.674   5.942
  390    HB2  GLU  55           HB2      GLU  55  -4.228  11.764   6.435
  391    HB3  GLU  55           HB1      GLU  55  -3.058  12.698   7.353
  392    HG2  GLU  55           HG2      GLU  55  -6.032  13.138   7.220
  393    HG3  GLU  55           HG1      GLU  55  -5.097  12.552   8.595
  394    H    SER  56           HN       SER  56  -3.125  14.366   3.253
  395    HA   SER  56           HA       SER  56  -0.544  13.010   3.312
  396    HB2  SER  56           HB2      SER  56  -2.231  11.472   2.247
  397    HB3  SER  56           HB1      SER  56  -2.471  12.689   0.997
  398    HG   SER  56           HG       SER  56   0.002  11.429   1.620
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1  21.408  -0.351  -5.838
    2    H2   GLY   1           HT2      GLY   1  19.914   0.170  -5.243
    3    H3   GLY   1           HT3      GLY   1  21.273   1.156  -5.081
    4    HA2  GLY   1           HA1      GLY   1  21.415   1.421  -7.471
    5    HA3  GLY   1           HA2      GLY   1  20.006   0.386  -7.645
    6    H    ALA   2           HN       ALA   2  19.762   2.738  -8.806
    7    HA   ALA   2           HA       ALA   2  18.438   4.543  -6.893
    8    HB1  ALA   2           HB1      ALA   2  20.283   5.536  -8.164
    9    HB2  ALA   2           HB2      ALA   2  18.743   6.297  -8.561
   10    HB3  ALA   2           HB3      ALA   2  19.463   5.133  -9.672
   11    H    MET   3           HN       MET   3  17.574   2.075  -8.755
   12    HA   MET   3           HA       MET   3  15.452   3.220 -10.309
   13    HB2  MET   3           HB2      MET   3  16.528   1.093 -10.946
   14    HB3  MET   3           HB1      MET   3  15.896   0.345  -9.486
   15    HG2  MET   3           HG2      MET   3  13.604   0.800 -10.292
   16    HG3  MET   3           HG1      MET   3  14.291   1.428 -11.789
   17    HE1  MET   3           HE1      MET   3  14.614  -2.964 -10.405
   18    HE2  MET   3           HE2      MET   3  13.804  -1.688  -9.496
   19    HE3  MET   3           HE3      MET   3  15.560  -1.673  -9.663
   20    H    GLY   4           HN       GLY   4  15.603   1.356  -7.290
   21    HA2  GLY   4           HA2      GLY   4  13.937   2.626  -5.680
   22    HA3  GLY   4           HA1      GLY   4  12.778   1.924  -6.800
   23    H    MET   5           HN       MET   5  12.828   1.361  -4.054
   24    HA   MET   5           HA       MET   5  14.170  -1.141  -3.611
   25    HB2  MET   5           HB2      MET   5  13.676   0.498  -1.794
   26    HB3  MET   5           HB1      MET   5  11.966   0.149  -1.994
   27    HG2  MET   5           HG2      MET   5  12.327  -2.154  -1.346
   28    HG3  MET   5           HG1      MET   5  14.060  -1.865  -1.214
   29    HE1  MET   5           HE1      MET   5  13.125  -2.302   2.524
   30    HE2  MET   5           HE2      MET   5  14.196  -2.791   1.212
   31    HE3  MET   5           HE3      MET   5  12.481  -3.197   1.148
   32    H    ARG   6           HN       ARG   6  13.509  -2.950  -4.566
   33    HA   ARG   6           HA       ARG   6  10.610  -3.368  -4.890
   34    HB2  ARG   6           HB2      ARG   6  12.817  -4.441  -6.659
   35    HB3  ARG   6           HB1      ARG   6  11.090  -4.690  -6.888
   36    HG2  ARG   6           HG2      ARG   6  12.548  -2.057  -7.039
   37    HG3  ARG   6           HG1      ARG   6  11.916  -2.987  -8.397
   38    HD2  ARG   6           HD2      ARG   6   9.660  -2.660  -7.649
   39    HD3  ARG   6           HD1      ARG   6  10.214  -1.907  -6.157
   40    HE   ARG   6           HE       ARG   6  10.644  -0.699  -8.810
   41   HH11  ARG   6          HH11      ARG   6   9.798  -0.438  -5.418
   42   HH12  ARG   6          HH12      ARG   6   9.459   1.259  -5.508
   43   HH21  ARG   6          HH21      ARG   6  10.227   1.544  -8.912
   44   HH22  ARG   6          HH22      ARG   6   9.708   2.384  -7.485
   45    H    ASN   7           HN       ASN   7  13.428  -4.461  -3.419
   46    HA   ASN   7           HA       ASN   7  12.567  -7.202  -3.117
   47    HB2  ASN   7           HB2      ASN   7  14.868  -5.602  -2.032
   48    HB3  ASN   7           HB1      ASN   7  14.478  -7.176  -1.357
   49   HD21  ASN   7          HD21      ASN   7  14.841  -9.022  -2.572
   50   HD22  ASN   7          HD22      ASN   7  15.775  -9.006  -4.029
   51    H    LEU   8           HN       LEU   8  10.443  -6.344  -2.370
   52    HA   LEU   8           HA       LEU   8  10.337  -5.355   0.348
   53    HB2  LEU   8           HB2      LEU   8   8.099  -6.157  -1.512
   54    HB3  LEU   8           HB1      LEU   8   7.925  -5.276  -0.005
   55    HG   LEU   8           HG       LEU   8   9.451  -4.230  -2.391
   56   HD11  LEU   8          HD11      LEU   8   7.535  -2.782  -2.783
   57   HD12  LEU   8          HD12      LEU   8   6.651  -3.592  -1.490
   58   HD13  LEU   8          HD13      LEU   8   7.097  -4.482  -2.946
   59   HD21  LEU   8          HD21      LEU   8   8.494  -2.892   0.136
   60   HD22  LEU   8          HD22      LEU   8   9.291  -2.088  -1.217
   61   HD23  LEU   8          HD23      LEU   8  10.165  -3.286  -0.265
   62    H    ASP   9           HN       ASP   9  11.052  -6.930   1.665
   63    HA   ASP   9           HA       ASP   9   9.736  -9.558   1.515
   64    HB2  ASP   9           HB2      ASP   9  12.146  -9.705   1.226
   65    HB3  ASP   9           HB1      ASP   9  12.400  -8.824   2.730
   66    H    GLU  10           HN       GLU  10  10.420  -6.833   3.578
   67    HA   GLU  10           HA       GLU  10   9.717  -8.051   6.047
   68    HB2  GLU  10           HB2      GLU  10   9.677  -5.154   5.192
   69    HB3  GLU  10           HB1      GLU  10   9.459  -5.709   6.844
   70    HG2  GLU  10           HG2      GLU  10  11.691  -6.559   6.917
   71    HG3  GLU  10           HG1      GLU  10  11.923  -6.223   5.202
   72    H    CYS  11           HN       CYS  11   8.023  -6.239   3.588
   73    HA   CYS  11           HA       CYS  11   5.456  -6.433   4.830
   74    HB2  CYS  11           HB2      CYS  11   6.101  -4.666   3.198
   75    HB3  CYS  11           HB1      CYS  11   6.205  -5.895   1.949
   76    H    GLU  12           HN       GLU  12   5.031  -8.539   5.283
   77    HA   GLU  12           HA       GLU  12   5.734 -10.703   3.602
   78    HB2  GLU  12           HB2      GLU  12   3.850 -10.532   5.947
   79    HB3  GLU  12           HB1      GLU  12   4.310 -12.040   5.164
   80    HG2  GLU  12           HG2      GLU  12   6.619 -11.695   5.755
   81    HG3  GLU  12           HG1      GLU  12   6.242 -10.110   6.427
   82    H    VAL  13           HN       VAL  13   2.922  -8.696   3.869
   83    HA   VAL  13           HA       VAL  13   1.168 -10.377   2.431
   84    HB   VAL  13           HB       VAL  13   0.188  -8.632   3.719
   85   HG11  VAL  13          HG11      VAL  13   0.530  -6.292   3.348
   86   HG12  VAL  13          HG12      VAL  13   1.601  -6.624   1.990
   87   HG13  VAL  13          HG13      VAL  13   2.087  -7.068   3.625
   88   HG21  VAL  13          HG21      VAL  13  -1.261  -7.538   2.107
   89   HG22  VAL  13          HG22      VAL  13  -0.990  -9.222   1.657
   90   HG23  VAL  13          HG23      VAL  13  -0.137  -7.933   0.809
   91    H    CYS  14           HN       CYS  14   3.437  -7.837   1.389
   92    HA   CYS  14           HA       CYS  14   2.817  -8.030  -1.370
   93    HB2  CYS  14           HB2      CYS  14   5.077  -6.929   0.207
   94    HB3  CYS  14           HB1      CYS  14   5.394  -7.301  -1.483
   95    H    ARG  15           HN       ARG  15   5.041  -9.730   0.728
   96    HA   ARG  15           HA       ARG  15   6.352 -11.273  -1.219
   97    HB2  ARG  15           HB2      ARG  15   7.213 -11.064   1.033
   98    HB3  ARG  15           HB1      ARG  15   5.777 -11.832   1.690
   99    HG2  ARG  15           HG2      ARG  15   6.388 -13.935   0.698
  100    HG3  ARG  15           HG1      ARG  15   7.758 -13.189  -0.128
  101    HD2  ARG  15           HD2      ARG  15   8.878 -12.773   1.923
  102    HD3  ARG  15           HD1      ARG  15   7.443 -13.171   2.863
  103    HE   ARG  15           HE       ARG  15   7.854 -15.503   1.725
  104   HH11  ARG  15          HH11      ARG  15  10.314 -13.303   2.937
  105   HH12  ARG  15          HH12      ARG  15  11.355 -14.587   3.469
  106   HH21  ARG  15          HH21      ARG  15   9.249 -17.164   2.416
  107   HH22  ARG  15          HH22      ARG  15  10.762 -16.766   3.166
  108    H    ASP  16           HN       ASP  16   3.351 -11.785   0.561
  109    HA   ASP  16           HA       ASP  16   2.780 -14.320  -0.615
  110    HB2  ASP  16           HB2      ASP  16   1.239 -12.351   1.021
  111    HB3  ASP  16           HB1      ASP  16   0.371 -13.640   0.196
  112    H    GLY  17           HN       GLY  17   2.809 -11.293  -1.969
  113    HA2  GLY  17           HA2      GLY  17   2.345 -10.920  -4.253
  114    HA3  GLY  17           HA1      GLY  17   1.210 -12.261  -4.218
  115    H    GLY  18           HN       GLY  18   0.827 -10.207  -1.579
  116    HA2  GLY  18           HA2      GLY  18  -1.746  -9.349  -2.325
  117    HA3  GLY  18           HA1      GLY  18  -0.804  -8.713  -0.987
  118    H    GLU  19           HN       GLU  19  -2.548  -7.317  -2.838
  119    HA   GLU  19           HA       GLU  19  -0.787  -5.808  -4.576
  120    HB2  GLU  19           HB2      GLU  19  -3.755  -5.583  -4.058
  121    HB3  GLU  19           HB1      GLU  19  -2.866  -4.637  -5.248
  122    HG2  GLU  19           HG2      GLU  19  -2.231  -6.707  -6.401
  123    HG3  GLU  19           HG1      GLU  19  -3.170  -7.630  -5.228
  124    H    LEU  20           HN       LEU  20  -1.298  -3.336  -4.581
  125    HA   LEU  20           HA       LEU  20  -0.756  -2.439  -1.827
  126    HB2  LEU  20           HB2      LEU  20   1.051  -2.563  -3.770
  127    HB3  LEU  20           HB1      LEU  20   0.338  -1.029  -4.215
  128    HG   LEU  20           HG       LEU  20   1.451  -1.574  -1.466
  129   HD11  LEU  20          HD11      LEU  20   3.207  -1.892  -3.131
  130   HD12  LEU  20          HD12      LEU  20   3.465  -0.407  -2.214
  131   HD13  LEU  20          HD13      LEU  20   2.816  -0.330  -3.852
  132   HD21  LEU  20          HD21      LEU  20   1.533   0.851  -1.314
  133   HD22  LEU  20          HD22      LEU  20  -0.112   0.315  -1.663
  134   HD23  LEU  20          HD23      LEU  20   0.887   0.996  -2.947
  135    H    PHE  21           HN       PHE  21  -2.052  -0.836  -1.076
  136    HA   PHE  21           HA       PHE  21  -3.850   0.433  -3.027
  137    HB2  PHE  21           HB2      PHE  21  -4.212  -0.070  -0.061
  138    HB3  PHE  21           HB1      PHE  21  -5.332   0.874  -1.040
  139    HD1  PHE  21           HD2      PHE  21  -6.504  -0.249  -2.974
  140    HD2  PHE  21           HD1      PHE  21  -4.328  -2.429  -0.028
  141    HE1  PHE  21           HE2      PHE  21  -7.668  -2.309  -3.638
  142    HE2  PHE  21           HE1      PHE  21  -5.492  -4.491  -0.694
  143    HZ   PHE  21           HZ       PHE  21  -7.161  -4.432  -2.499
  144    H    CYS  22           HN       CYS  22  -1.527   1.578  -3.110
  145    HA   CYS  22           HA       CYS  22  -2.031   4.236  -2.094
  146    HB2  CYS  22           HB2      CYS  22   0.152   2.510  -1.037
  147    HB3  CYS  22           HB1      CYS  22   0.547   4.194  -1.369
  148    H    CYS  23           HN       CYS  23  -0.697   5.834  -3.124
  149    HA   CYS  23           HA       CYS  23   0.158   5.210  -5.767
  150    HB2  CYS  23           HB2      CYS  23   0.962   7.692  -4.251
  151    HB3  CYS  23           HB1      CYS  23   0.659   7.516  -5.979
  152    H    ASP  24           HN       ASP  24   2.461   5.673  -6.516
  153    HA   ASP  24           HA       ASP  24   4.290   4.036  -5.205
  154    HB2  ASP  24           HB2      ASP  24   4.544   4.693  -7.559
  155    HB3  ASP  24           HB1      ASP  24   4.885   6.348  -7.068
  156    H    THR  25           HN       THR  25   4.051   7.585  -5.143
  157    HA   THR  25           HA       THR  25   6.176   8.093  -3.402
  158    HB   THR  25           HB       THR  25   3.625   9.695  -3.633
  159    HG1  THR  25           HG1      THR  25   5.799   9.338  -5.386
  160   HG21  THR  25          HG21      THR  25   5.098  11.602  -3.176
  161   HG22  THR  25          HG22      THR  25   6.469  10.504  -3.020
  162   HG23  THR  25          HG23      THR  25   5.143  10.429  -1.861
  163    H    CYS  26           HN       CYS  26   2.711   7.699  -2.718
  164    HA   CYS  26           HA       CYS  26   2.834   8.077   0.050
  165    HB2  CYS  26           HB2      CYS  26   0.854   6.435  -1.545
  166    HB3  CYS  26           HB1      CYS  26   0.603   7.043   0.090
  167    H    SER  27           HN       SER  27   3.259   5.188  -1.911
  168    HA   SER  27           HA       SER  27   3.198   3.314   0.200
  169    HB2  SER  27           HB2      SER  27   2.852   2.662  -2.120
  170    HB3  SER  27           HB1      SER  27   4.485   3.177  -2.534
  171    HG   SER  27           HG       SER  27   4.866   1.128  -2.163
  172    H    ARG  28           HN       ARG  28   5.782   5.240  -1.220
  173    HA   ARG  28           HA       ARG  28   7.980   3.843  -0.242
  174    HB2  ARG  28           HB2      ARG  28   7.623   6.780  -0.795
  175    HB3  ARG  28           HB1      ARG  28   9.176   6.053  -0.409
  176    HG2  ARG  28           HG2      ARG  28   9.024   4.648  -2.387
  177    HG3  ARG  28           HG1      ARG  28   7.444   5.336  -2.767
  178    HD2  ARG  28           HD2      ARG  28   8.536   7.578  -2.868
  179    HD3  ARG  28           HD1      ARG  28  10.092   6.770  -2.687
  180    HE   ARG  28           HE       ARG  28   8.296   6.099  -4.927
  181   HH11  ARG  28          HH11      ARG  28  11.399   7.243  -3.746
  182   HH12  ARG  28          HH12      ARG  28  12.124   7.256  -5.319
  183   HH21  ARG  28          HH21      ARG  28   9.251   6.103  -6.976
  184   HH22  ARG  28          HH22      ARG  28  10.911   6.586  -7.160
  185    H    VAL  29           HN       VAL  29   5.887   6.127   1.384
  186    HA   VAL  29           HA       VAL  29   7.713   6.175   3.664
  187    HB   VAL  29           HB       VAL  29   6.208   8.028   4.511
  188   HG11  VAL  29          HG11      VAL  29   7.644   8.414   1.885
  189   HG12  VAL  29          HG12      VAL  29   8.380   8.451   3.489
  190   HG13  VAL  29          HG13      VAL  29   7.221   9.696   3.021
  191   HG21  VAL  29          HG21      VAL  29   5.183   7.920   1.676
  192   HG22  VAL  29          HG22      VAL  29   4.813   9.166   2.867
  193   HG23  VAL  29          HG23      VAL  29   4.256   7.511   3.117
  194    H    PHE  30           HN       PHE  30   4.427   5.185   2.815
  195    HA   PHE  30           HA       PHE  30   4.179   4.129   5.564
  196    HB2  PHE  30           HB2      PHE  30   1.870   5.090   3.866
  197    HB3  PHE  30           HB1      PHE  30   1.806   4.553   5.538
  198    HD1  PHE  30           HD2      PHE  30   3.682   5.954   7.014
  199    HD2  PHE  30           HD1      PHE  30   1.529   7.344   3.611
  200    HE1  PHE  30           HE2      PHE  30   3.991   8.275   7.767
  201    HE2  PHE  30           HE1      PHE  30   1.847   9.663   4.357
  202    HZ   PHE  30           HZ       PHE  30   2.977  10.138   6.445
  203    H    HIS  31           HN       HIS  31   5.283   2.630   3.484
  204    HA   HIS  31           HA       HIS  31   3.611   1.255   1.796
  205    HB2  HIS  31           HB2      HIS  31   6.084   1.147   1.748
  206    HB3  HIS  31           HB1      HIS  31   6.043   0.118   3.175
  207    HD1  HIS  31           HD1      HIS  31   4.633   0.026  -0.386
  208    HD2  HIS  31           HD2      HIS  31   6.094  -2.488   2.590
  209    HE1  HIS  31           HE1      HIS  31   4.658  -2.313  -1.366
  210    H    GLU  32           HN       GLU  32   4.487   0.314   5.108
  211    HA   GLU  32           HA       GLU  32   3.233  -2.214   4.983
  212    HB2  GLU  32           HB2      GLU  32   3.821  -0.531   7.428
  213    HB3  GLU  32           HB1      GLU  32   3.435  -2.245   7.434
  214    HG2  GLU  32           HG2      GLU  32   5.764  -2.101   7.706
  215    HG3  GLU  32           HG1      GLU  32   5.509  -2.589   6.032
  216    H    ASP  33           HN       ASP  33   2.215   0.845   6.401
  217    HA   ASP  33           HA       ASP  33  -0.342  -0.011   7.226
  218    HB2  ASP  33           HB2      ASP  33   0.978   2.098   7.908
  219    HB3  ASP  33           HB1      ASP  33   0.281   2.824   6.468
  220    H    CYS  34           HN       CYS  34   0.887   0.993   4.165
  221    HA   CYS  34           HA       CYS  34  -1.568   1.746   2.953
  222    HB2  CYS  34           HB2      CYS  34   1.169   1.078   1.949
  223    HB3  CYS  34           HB1      CYS  34  -0.162   1.246   0.807
  224    H    HIS  35           HN       HIS  35  -0.521  -1.263   3.954
  225    HA   HIS  35           HA       HIS  35  -2.216  -2.608   1.951
  226    HB2  HIS  35           HB2      HIS  35  -0.130  -3.772   3.804
  227    HB3  HIS  35           HB1      HIS  35  -1.148  -4.712   2.719
  228    HD1  HIS  35           HD1      HIS  35  -0.378  -4.881   0.265
  229    HD2  HIS  35           HD2      HIS  35   1.811  -2.176   2.531
  230    HE1  HIS  35           HE1      HIS  35   1.669  -4.300  -1.102
  231    H    ILE  36           HN       ILE  36  -2.603  -1.209   4.810
  232    HA   ILE  36           HA       ILE  36  -4.373  -3.316   5.855
  233    HB   ILE  36           HB       ILE  36  -2.625  -1.580   7.601
  234   HG12  ILE  36          HG12      ILE  36  -2.258  -4.512   6.950
  235   HG13  ILE  36          HG11      ILE  36  -1.307  -3.214   6.238
  236   HG21  ILE  36          HG21      ILE  36  -4.711  -2.328   8.629
  237   HG22  ILE  36          HG22      ILE  36  -3.315  -3.101   9.381
  238   HG23  ILE  36          HG23      ILE  36  -4.309  -3.999   8.235
  239   HD11  ILE  36          HD11      ILE  36  -1.430  -3.886   9.169
  240   HD12  ILE  36          HD12      ILE  36  -0.445  -2.624   8.428
  241   HD13  ILE  36          HD13      ILE  36  -0.128  -4.320   8.062
  242    HA   PRO  37           HA       PRO  37  -6.078  -3.704   6.519
  243    HB2  PRO  37           HB2      PRO  37  -8.737  -3.601   6.213
  244    HB3  PRO  37           HB1      PRO  37  -7.979  -3.176   7.759
  245    HG2  PRO  37           HG2      PRO  37  -9.008  -1.381   5.588
  246    HG3  PRO  37           HG1      PRO  37  -9.193  -1.229   7.345
  247    HD2  PRO  37           HD2      PRO  37  -7.317   0.136   5.865
  248    HD3  PRO  37           HD1      PRO  37  -7.146  -0.233   7.592
  249    HA   PRO  38           HA       PRO  38  -5.964  -4.196   2.103
  250    HB2  PRO  38           HB2      PRO  38  -6.375  -6.894   2.008
  251    HB3  PRO  38           HB1      PRO  38  -4.823  -6.153   2.415
  252    HG2  PRO  38           HG2      PRO  38  -6.923  -7.280   4.225
  253    HG3  PRO  38           HG1      PRO  38  -5.157  -7.423   4.331
  254    HD2  PRO  38           HD2      PRO  38  -6.570  -5.687   5.864
  255    HD3  PRO  38           HD1      PRO  38  -4.921  -5.336   5.303
  256    H    VAL  39           HN       VAL  39  -8.603  -5.462   4.035
  257    HA   VAL  39           HA       VAL  39 -10.436  -4.852   1.825
  258    HB   VAL  39           HB       VAL  39 -10.759  -7.288   3.589
  259   HG11  VAL  39          HG11      VAL  39 -12.863  -6.376   2.818
  260   HG12  VAL  39          HG12      VAL  39 -12.523  -7.886   1.973
  261   HG13  VAL  39          HG13      VAL  39 -12.273  -6.343   1.157
  262   HG21  VAL  39          HG21      VAL  39 -10.217  -8.628   1.616
  263   HG22  VAL  39          HG22      VAL  39  -8.859  -7.608   2.095
  264   HG23  VAL  39          HG23      VAL  39  -9.859  -7.156   0.714
  265    H    GLU  40           HN       GLU  40 -10.834  -2.897   2.966
  266    HA   GLU  40           HA       GLU  40 -11.864  -2.903   5.627
  267    HB2  GLU  40           HB2      GLU  40 -12.578  -0.548   5.053
  268    HB3  GLU  40           HB1      GLU  40 -10.862  -0.874   4.862
  269    HG2  GLU  40           HG2      GLU  40 -11.114  -1.049   2.473
  270    HG3  GLU  40           HG1      GLU  40 -12.862  -0.878   2.615
  271    H    ALA  41           HN       ALA  41 -13.320  -2.695   2.419
  272    HA   ALA  41           HA       ALA  41 -15.723  -3.981   3.391
  273    HB1  ALA  41           HB1      ALA  41 -16.220  -1.619   3.791
  274    HB2  ALA  41           HB2      ALA  41 -17.233  -2.271   2.503
  275    HB3  ALA  41           HB3      ALA  41 -15.849  -1.252   2.108
  276    H    GLU  42           HN       GLU  42 -14.761  -2.020   0.589
  277    HA   GLU  42           HA       GLU  42 -15.141  -4.370  -1.115
  278    HB2  GLU  42           HB2      GLU  42 -14.865  -2.778  -3.011
  279    HB3  GLU  42           HB1      GLU  42 -16.223  -2.383  -1.973
  280    HG2  GLU  42           HG2      GLU  42 -13.569  -1.058  -1.596
  281    HG3  GLU  42           HG1      GLU  42 -14.695  -0.501  -2.829
  282    H    ARG  43           HN       ARG  43 -13.388  -4.458  -2.950
  283    HA   ARG  43           HA       ARG  43 -10.740  -3.753  -2.019
  284    HB2  ARG  43           HB2      ARG  43  -9.865  -5.919  -1.733
  285    HB3  ARG  43           HB1      ARG  43 -11.405  -5.971  -0.894
  286    HG2  ARG  43           HG2      ARG  43 -10.930  -7.022  -3.680
  287    HG3  ARG  43           HG1      ARG  43 -10.927  -8.001  -2.215
  288    HD2  ARG  43           HD2      ARG  43 -13.269  -6.353  -3.153
  289    HD3  ARG  43           HD1      ARG  43 -13.065  -8.068  -3.502
  290    HE   ARG  43           HE       ARG  43 -12.923  -8.124  -0.872
  291   HH11  ARG  43          HH11      ARG  43 -15.119  -6.312  -2.911
  292   HH12  ARG  43          HH12      ARG  43 -16.417  -6.352  -1.761
  293   HH21  ARG  43          HH21      ARG  43 -14.638  -8.198   0.629
  294   HH22  ARG  43          HH22      ARG  43 -16.144  -7.424   0.251
  295    H    THR  44           HN       THR  44  -9.244  -3.728  -3.671
  296    HA   THR  44           HA       THR  44  -8.391  -3.611  -5.749
  297    HB   THR  44           HB       THR  44  -8.818  -5.354  -7.369
  298    HG1  THR  44           HG1      THR  44 -11.217  -5.623  -5.964
  299   HG21  THR  44          HG21      THR  44  -8.409  -7.353  -6.027
  300   HG22  THR  44          HG22      THR  44  -8.941  -6.499  -4.580
  301   HG23  THR  44          HG23      THR  44  -7.478  -5.984  -5.419
  302    HA   PRO  45           HA       PRO  45  -8.026  -3.774  -8.056
  303    HB2  PRO  45           HB2      PRO  45  -7.689  -1.334  -9.613
  304    HB3  PRO  45           HB1      PRO  45  -7.806  -3.006 -10.178
  305    HG2  PRO  45           HG2      PRO  45  -9.756  -1.181 -10.633
  306    HG3  PRO  45           HG1      PRO  45 -10.101  -2.911 -10.403
  307    HD2  PRO  45           HD2      PRO  45 -10.316  -0.657  -8.419
  308    HD3  PRO  45           HD1      PRO  45 -11.457  -1.984  -8.742
  309    H    TRP  46           HN       TRP  46  -8.094  -0.209  -7.934
  310    HA   TRP  46           HA       TRP  46  -5.959  -0.322  -5.914
  311    HB2  TRP  46           HB2      TRP  46  -4.937   0.049  -8.138
  312    HB3  TRP  46           HB1      TRP  46  -5.985   1.440  -8.385
  313    HD1  TRP  46           HD1      TRP  46  -2.979   0.323  -6.259
  314    HE1  TRP  46           HE1      TRP  46  -1.732   2.425  -5.450
  315    HE3  TRP  46           HE3      TRP  46  -6.240   3.888  -7.925
  316    HZ2  TRP  46           HZ2      TRP  46  -2.093   5.225  -5.507
  317    HZ3  TRP  46           HZ3      TRP  46  -5.717   6.254  -7.508
  318    HH2  TRP  46           HH2      TRP  46  -3.686   6.907  -6.325
  319    H    ASN  47           HN       ASN  47  -5.952   1.365  -4.425
  320    HA   ASN  47           HA       ASN  47  -7.546   3.700  -4.688
  321    HB2  ASN  47           HB2      ASN  47  -9.330   1.993  -4.251
  322    HB3  ASN  47           HB1      ASN  47  -8.554   1.631  -2.714
  323   HD21  ASN  47          HD21      ASN  47 -10.334   4.002  -4.539
  324   HD22  ASN  47          HD22      ASN  47 -10.826   4.963  -3.186
  325    H    CYS  48           HN       CYS  48  -5.959   4.964  -3.884
  326    HA   CYS  48           HA       CYS  48  -4.236   4.097  -1.770
  327    HB2  CYS  48           HB2      CYS  48  -3.433   5.632  -3.516
  328    HB3  CYS  48           HB1      CYS  48  -4.580   6.849  -2.981
  329    H    ILE  49           HN       ILE  49  -5.086   3.822   0.163
  330    HA   ILE  49           HA       ILE  49  -7.359   5.116   1.154
  331    HB   ILE  49           HB       ILE  49  -6.642   4.234   3.400
  332   HG12  ILE  49          HG12      ILE  49  -4.310   3.172   1.780
  333   HG13  ILE  49          HG11      ILE  49  -4.223   4.310   3.119
  334   HG21  ILE  49          HG21      ILE  49  -8.092   2.944   1.968
  335   HG22  ILE  49          HG22      ILE  49  -6.940   1.867   2.754
  336   HG23  ILE  49          HG23      ILE  49  -6.711   2.320   1.067
  337   HD11  ILE  49          HD11      ILE  49  -3.548   2.151   3.883
  338   HD12  ILE  49          HD12      ILE  49  -5.019   1.416   3.249
  339   HD13  ILE  49          HD13      ILE  49  -5.109   2.539   4.605
  340    H    PHE  50           HN       PHE  50  -3.983   6.033   1.327
  341    HA   PHE  50           HA       PHE  50  -4.381   8.002   3.367
  342    HB2  PHE  50           HB2      PHE  50  -2.110   7.459   1.458
  343    HB3  PHE  50           HB1      PHE  50  -2.101   8.853   2.535
  344    HD1  PHE  50           HD2      PHE  50  -2.061   5.183   2.376
  345    HD2  PHE  50           HD1      PHE  50  -1.736   8.603   4.889
  346    HE1  PHE  50           HE2      PHE  50  -1.176   3.771   4.177
  347    HE2  PHE  50           HE1      PHE  50  -0.845   7.191   6.692
  348    HZ   PHE  50           HZ       PHE  50  -0.662   4.790   6.394
  349    H    CYS  51           HN       CYS  51  -4.285   8.106  -0.171
  350    HA   CYS  51           HA       CYS  51  -4.666  10.947  -0.245
  351    HB2  CYS  51           HB2      CYS  51  -4.763   8.795  -2.343
  352    HB3  CYS  51           HB1      CYS  51  -5.274  10.439  -2.707
  353    H    ARG  52           HN       ARG  52  -6.729   8.169  -0.039
  354    HA   ARG  52           HA       ARG  52  -9.121   9.512  -0.823
  355    HB2  ARG  52           HB2      ARG  52  -8.661   6.972  -0.742
  356    HB3  ARG  52           HB1      ARG  52  -9.035   7.101   0.972
  357    HG2  ARG  52           HG2      ARG  52 -11.234   8.076   0.361
  358    HG3  ARG  52           HG1      ARG  52 -10.853   7.758  -1.333
  359    HD2  ARG  52           HD2      ARG  52 -12.137   5.921  -0.664
  360    HD3  ARG  52           HD1      ARG  52 -10.473   5.343  -0.615
  361    HE   ARG  52           HE       ARG  52 -11.737   6.327   1.843
  362   HH11  ARG  52          HH11      ARG  52 -10.264   3.698   0.036
  363   HH12  ARG  52          HH12      ARG  52 -10.332   2.590   1.381
  364   HH21  ARG  52          HH21      ARG  52 -11.797   4.866   3.585
  365   HH22  ARG  52          HH22      ARG  52 -11.216   3.241   3.365
  366    H    MET  53           HN       MET  53  -7.408   9.005   2.185
  367    HA   MET  53           HA       MET  53  -9.476  10.214   3.796
  368    HB2  MET  53           HB2      MET  53  -6.624   9.423   4.421
  369    HB3  MET  53           HB1      MET  53  -7.703  10.159   5.595
  370    HG2  MET  53           HG2      MET  53  -8.173   7.541   4.189
  371    HG3  MET  53           HG1      MET  53  -7.585   7.734   5.840
  372    HE1  MET  53           HE1      MET  53  -9.482   6.196   6.821
  373    HE2  MET  53           HE2      MET  53 -10.050   5.907   5.176
  374    HE3  MET  53           HE3      MET  53 -11.192   6.381   6.433
  375    H    LYS  54           HN       LYS  54  -9.361  12.043   2.089
  376    HA   LYS  54           HA       LYS  54  -7.272  13.934   2.176
  377    HB2  LYS  54           HB2      LYS  54 -10.191  14.447   1.565
  378    HB3  LYS  54           HB1      LYS  54  -8.828  15.451   1.094
  379    HG2  LYS  54           HG2      LYS  54  -7.994  13.682  -0.348
  380    HG3  LYS  54           HG1      LYS  54  -9.327  12.636   0.147
  381    HD2  LYS  54           HD2      LYS  54  -9.837  13.620  -1.997
  382    HD3  LYS  54           HD1      LYS  54 -10.918  14.291  -0.775
  383    HE2  LYS  54           HE2      LYS  54 -10.118  16.047  -2.255
  384    HE3  LYS  54           HE1      LYS  54  -9.492  16.286  -0.626
  385    HZ1  LYS  54           HZ1      LYS  54  -7.389  15.363  -1.306
  386    HZ2  LYS  54           HZ2      LYS  54  -7.802  16.633  -2.342
  387    HZ3  LYS  54           HZ3      LYS  54  -7.986  15.031  -2.853
  388    H    GLU  55           HN       GLU  55 -10.440  13.906   3.756
  389    HA   GLU  55           HA       GLU  55  -9.341  15.682   5.823
  390    HB2  GLU  55           HB2      GLU  55 -12.141  15.698   4.678
  391    HB3  GLU  55           HB1      GLU  55 -11.607  16.665   6.045
  392    HG2  GLU  55           HG2      GLU  55 -10.057  17.869   4.633
  393    HG3  GLU  55           HG1      GLU  55 -10.484  16.851   3.258
  394    H    SER  56           HN       SER  56  -8.833  13.850   7.055
  395    HA   SER  56           HA       SER  56 -11.055  12.864   8.615
  396    HB2  SER  56           HB2      SER  56 -10.786  11.253   6.676
  397    HB3  SER  56           HB1      SER  56  -9.184  10.876   7.307
  398    HG   SER  56           HG       SER  56 -10.146   9.533   8.585
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1  21.283  -3.610   5.705
    2    H2   GLY   1           HT2      GLY   1  19.720  -3.041   5.403
    3    H3   GLY   1           HT3      GLY   1  20.687  -2.282   6.560
    4    HA2  GLY   1           HA1      GLY   1  22.239  -1.575   4.862
    5    HA3  GLY   1           HA2      GLY   1  21.240  -2.365   3.652
    6    H    ALA   2           HN       ALA   2  22.051   0.547   4.501
    7    HA   ALA   2           HA       ALA   2  19.344   1.640   4.072
    8    HB1  ALA   2           HB1      ALA   2  20.002   1.950   6.427
    9    HB2  ALA   2           HB2      ALA   2  19.821   3.483   5.574
   10    HB3  ALA   2           HB3      ALA   2  21.430   2.839   5.895
   11    H    MET   3           HN       MET   3  21.781   1.058   2.362
   12    HA   MET   3           HA       MET   3  22.318   3.797   1.422
   13    HB2  MET   3           HB2      MET   3  24.304   2.478   2.012
   14    HB3  MET   3           HB1      MET   3  23.830   1.239   0.861
   15    HG2  MET   3           HG2      MET   3  24.142   2.762  -0.977
   16    HG3  MET   3           HG1      MET   3  24.478   4.087   0.135
   17    HE1  MET   3           HE1      MET   3  26.350   3.232  -2.338
   18    HE2  MET   3           HE2      MET   3  27.941   3.397  -1.596
   19    HE3  MET   3           HE3      MET   3  26.690   4.598  -1.277
   20    H    GLY   4           HN       GLY   4  21.484   0.545   0.269
   21    HA2  GLY   4           HA2      GLY   4  20.060   1.797  -1.969
   22    HA3  GLY   4           HA1      GLY   4  21.279   0.584  -2.334
   23    H    MET   5           HN       MET   5  19.344   0.314   0.534
   24    HA   MET   5           HA       MET   5  18.099  -2.080  -0.614
   25    HB2  MET   5           HB2      MET   5  19.372  -2.426   1.444
   26    HB3  MET   5           HB1      MET   5  18.399  -1.223   2.271
   27    HG2  MET   5           HG2      MET   5  17.745  -3.508   2.844
   28    HG3  MET   5           HG1      MET   5  16.438  -2.614   2.068
   29    HE1  MET   5           HE1      MET   5  15.834  -6.275   0.840
   30    HE2  MET   5           HE2      MET   5  15.144  -4.879   1.665
   31    HE3  MET   5           HE3      MET   5  16.451  -5.790   2.417
   32    H    ARG   6           HN       ARG   6  16.440  -1.088  -1.754
   33    HA   ARG   6           HA       ARG   6  14.325   0.060  -0.060
   34    HB2  ARG   6           HB2      ARG   6  15.008   0.798  -2.914
   35    HB3  ARG   6           HB1      ARG   6  13.613   1.397  -2.026
   36    HG2  ARG   6           HG2      ARG   6  15.113   2.452  -0.398
   37    HG3  ARG   6           HG1      ARG   6  16.503   1.868  -1.314
   38    HD2  ARG   6           HD2      ARG   6  15.754   3.161  -3.256
   39    HD3  ARG   6           HD1      ARG   6  14.376   3.749  -2.327
   40    HE   ARG   6           HE       ARG   6  16.858   4.309  -1.034
   41   HH11  ARG   6          HH11      ARG   6  14.735   5.379  -3.600
   42   HH12  ARG   6          HH12      ARG   6  15.257   7.030  -3.522
   43   HH21  ARG   6          HH21      ARG   6  17.558   6.488  -0.928
   44   HH22  ARG   6          HH22      ARG   6  16.859   7.663  -1.995
   45    H    ASN   7           HN       ASN   7  14.756  -2.652  -0.617
   46    HA   ASN   7           HA       ASN   7  12.756  -3.382  -2.613
   47    HB2  ASN   7           HB2      ASN   7  14.867  -4.643  -2.607
   48    HB3  ASN   7           HB1      ASN   7  14.598  -5.105  -0.931
   49   HD21  ASN   7          HD21      ASN   7  13.571  -5.582  -4.238
   50   HD22  ASN   7          HD22      ASN   7  12.699  -7.048  -3.950
   51    H    LEU   8           HN       LEU   8  10.897  -4.530  -2.102
   52    HA   LEU   8           HA       LEU   8   9.836  -3.965   0.522
   53    HB2  LEU   8           HB2      LEU   8   8.511  -5.463  -1.734
   54    HB3  LEU   8           HB1      LEU   8   7.728  -4.672  -0.378
   55    HG   LEU   8           HG       LEU   8   9.187  -3.295  -2.635
   56   HD11  LEU   8          HD11      LEU   8   6.968  -2.423  -3.198
   57   HD12  LEU   8          HD12      LEU   8   6.264  -3.433  -1.935
   58   HD13  LEU   8          HD13      LEU   8   7.051  -4.178  -3.325
   59   HD21  LEU   8          HD21      LEU   8   9.486  -2.075  -0.558
   60   HD22  LEU   8          HD22      LEU   8   7.749  -2.127  -0.257
   61   HD23  LEU   8          HD23      LEU   8   8.380  -1.213  -1.628
   62    H    ASP   9           HN       ASP   9  11.550  -5.389   1.429
   63    HA   ASP   9           HA       ASP   9  11.218  -8.246   0.981
   64    HB2  ASP   9           HB2      ASP   9  13.489  -7.226   0.986
   65    HB3  ASP   9           HB1      ASP   9  13.266  -6.818   2.684
   66    H    GLU  10           HN       GLU  10  10.868  -5.865   3.544
   67    HA   GLU  10           HA       GLU  10  10.402  -7.896   5.554
   68    HB2  GLU  10           HB2      GLU  10  10.168  -4.894   5.728
   69    HB3  GLU  10           HB1      GLU  10  10.107  -6.005   7.088
   70    HG2  GLU  10           HG2      GLU  10  12.410  -6.710   6.569
   71    HG3  GLU  10           HG1      GLU  10  12.458  -5.506   5.282
   72    H    CYS  11           HN       CYS  11   8.569  -7.064   3.159
   73    HA   CYS  11           HA       CYS  11   6.106  -6.631   4.694
   74    HB2  CYS  11           HB2      CYS  11   6.746  -5.023   2.860
   75    HB3  CYS  11           HB1      CYS  11   6.494  -6.334   1.723
   76    H    GLU  12           HN       GLU  12   5.560  -8.650   5.316
   77    HA   GLU  12           HA       GLU  12   5.912 -11.035   3.964
   78    HB2  GLU  12           HB2      GLU  12   5.280 -10.777   6.353
   79    HB3  GLU  12           HB1      GLU  12   3.659 -10.339   5.841
   80    HG2  GLU  12           HG2      GLU  12   3.623 -12.613   6.500
   81    HG3  GLU  12           HG1      GLU  12   3.477 -12.561   4.743
   82    H    VAL  13           HN       VAL  13   3.242  -8.768   3.830
   83    HA   VAL  13           HA       VAL  13   1.532 -10.453   2.325
   84    HB   VAL  13           HB       VAL  13   0.571  -8.739   3.698
   85   HG11  VAL  13          HG11      VAL  13   2.375  -7.117   3.585
   86   HG12  VAL  13          HG12      VAL  13   0.817  -6.376   3.228
   87   HG13  VAL  13          HG13      VAL  13   1.938  -6.742   1.919
   88   HG21  VAL  13          HG21      VAL  13  -0.975  -7.699   2.145
   89   HG22  VAL  13          HG22      VAL  13  -0.665  -9.371   1.675
   90   HG23  VAL  13          HG23      VAL  13   0.115  -8.050   0.803
   91    H    CYS  14           HN       CYS  14   3.866  -7.948   1.388
   92    HA   CYS  14           HA       CYS  14   3.130  -7.918  -1.348
   93    HB2  CYS  14           HB2      CYS  14   5.443  -6.935   0.214
   94    HB3  CYS  14           HB1      CYS  14   5.725  -7.218  -1.498
   95    H    ARG  15           HN       ARG  15   5.154 -10.013   0.553
   96    HA   ARG  15           HA       ARG  15   6.496 -11.329  -1.568
   97    HB2  ARG  15           HB2      ARG  15   5.660 -12.492   1.093
   98    HB3  ARG  15           HB1      ARG  15   6.878 -13.152   0.015
   99    HG2  ARG  15           HG2      ARG  15   8.299 -11.225   0.402
  100    HG3  ARG  15           HG1      ARG  15   7.056 -10.500   1.426
  101    HD2  ARG  15           HD2      ARG  15   7.202 -12.543   2.878
  102    HD3  ARG  15           HD1      ARG  15   8.594 -13.045   1.926
  103    HE   ARG  15           HE       ARG  15   9.486 -10.714   2.679
  104   HH11  ARG  15          HH11      ARG  15   7.563 -12.938   4.597
  105   HH12  ARG  15          HH12      ARG  15   8.253 -12.415   6.105
  106   HH21  ARG  15          HH21      ARG  15  10.356 -10.018   4.667
  107   HH22  ARG  15          HH22      ARG  15   9.820 -10.753   6.149
  108    H    ASP  16           HN       ASP  16   3.431 -11.794   0.036
  109    HA   ASP  16           HA       ASP  16   2.745 -14.163  -1.424
  110    HB2  ASP  16           HB2      ASP  16   1.939 -13.693   0.877
  111    HB3  ASP  16           HB1      ASP  16   0.985 -12.357   0.247
  112    H    GLY  17           HN       GLY  17   2.620 -10.850  -2.086
  113    HA2  GLY  17           HA2      GLY  17   2.053  -9.911  -4.156
  114    HA3  GLY  17           HA1      GLY  17   1.157 -11.372  -4.547
  115    H    GLY  18           HN       GLY  18   0.675  -9.808  -1.501
  116    HA2  GLY  18           HA2      GLY  18  -2.100  -9.512  -1.875
  117    HA3  GLY  18           HA1      GLY  18  -1.163  -8.799  -0.576
  118    H    GLU  19           HN       GLU  19  -3.225  -7.382  -1.403
  119    HA   GLU  19           HA       GLU  19  -2.790  -5.678  -3.620
  120    HB2  GLU  19           HB2      GLU  19  -4.664  -5.710  -1.312
  121    HB3  GLU  19           HB1      GLU  19  -4.467  -4.198  -2.181
  122    HG2  GLU  19           HG2      GLU  19  -6.323  -5.276  -3.124
  123    HG3  GLU  19           HG1      GLU  19  -5.007  -5.448  -4.281
  124    H    LEU  20           HN       LEU  20  -2.138  -3.580  -3.745
  125    HA   LEU  20           HA       LEU  20  -1.054  -2.313  -1.323
  126    HB2  LEU  20           HB2      LEU  20   0.626  -3.213  -3.091
  127    HB3  LEU  20           HB1      LEU  20   0.068  -1.887  -4.089
  128    HG   LEU  20           HG       LEU  20   1.229  -1.440  -1.340
  129   HD11  LEU  20          HD11      LEU  20   3.355  -0.950  -2.455
  130   HD12  LEU  20          HD12      LEU  20   2.670  -1.475  -3.993
  131   HD13  LEU  20          HD13      LEU  20   2.882  -2.634  -2.682
  132   HD21  LEU  20          HD21      LEU  20   0.982   0.363  -3.753
  133   HD22  LEU  20          HD22      LEU  20   1.651   0.800  -2.181
  134   HD23  LEU  20          HD23      LEU  20  -0.063   0.409  -2.331
  135    H    PHE  21           HN       PHE  21  -2.186  -0.470  -0.914
  136    HA   PHE  21           HA       PHE  21  -3.846   0.589  -3.115
  137    HB2  PHE  21           HB2      PHE  21  -4.311   0.673  -0.123
  138    HB3  PHE  21           HB1      PHE  21  -5.355   1.426  -1.321
  139    HD1  PHE  21           HD2      PHE  21  -6.179  -0.252  -3.223
  140    HD2  PHE  21           HD1      PHE  21  -4.908  -1.390   0.683
  141    HE1  PHE  21           HE2      PHE  21  -7.436  -2.356  -3.430
  142    HE2  PHE  21           HE1      PHE  21  -6.163  -3.497   0.476
  143    HZ   PHE  21           HZ       PHE  21  -7.490  -3.945  -1.549
  144    H    CYS  22           HN       CYS  22  -1.430   1.630  -3.289
  145    HA   CYS  22           HA       CYS  22  -1.706   4.330  -2.208
  146    HB2  CYS  22           HB2      CYS  22   0.702   2.569  -1.722
  147    HB3  CYS  22           HB1      CYS  22   0.653   4.297  -1.397
  148    H    CYS  23           HN       CYS  23  -0.632   5.904  -3.383
  149    HA   CYS  23           HA       CYS  23   0.361   5.381  -5.981
  150    HB2  CYS  23           HB2      CYS  23   1.126   7.789  -4.324
  151    HB3  CYS  23           HB1      CYS  23   0.909   7.694  -6.073
  152    H    ASP  24           HN       ASP  24   2.729   5.885  -6.598
  153    HA   ASP  24           HA       ASP  24   4.450   4.140  -5.297
  154    HB2  ASP  24           HB2      ASP  24   4.947   4.900  -7.536
  155    HB3  ASP  24           HB1      ASP  24   5.143   6.557  -6.974
  156    H    THR  25           HN       THR  25   4.288   7.672  -4.942
  157    HA   THR  25           HA       THR  25   6.307   7.923  -3.012
  158    HB   THR  25           HB       THR  25   3.876   9.695  -3.270
  159    HG1  THR  25           HG1      THR  25   4.616  10.091  -5.214
  160   HG21  THR  25          HG21      THR  25   5.285  10.149  -1.319
  161   HG22  THR  25          HG22      THR  25   5.408  11.450  -2.503
  162   HG23  THR  25          HG23      THR  25   6.703  10.260  -2.362
  163    H    CYS  26           HN       CYS  26   2.798   7.565  -2.661
  164    HA   CYS  26           HA       CYS  26   2.711   7.722   0.143
  165    HB2  CYS  26           HB2      CYS  26   0.812   6.317  -1.748
  166    HB3  CYS  26           HB1      CYS  26   0.448   6.782  -0.087
  167    H    SER  27           HN       SER  27   3.315   5.076  -2.047
  168    HA   SER  27           HA       SER  27   3.095   2.969  -0.146
  169    HB2  SER  27           HB2      SER  27   2.942   2.617  -2.596
  170    HB3  SER  27           HB1      SER  27   4.643   3.046  -2.751
  171    HG   SER  27           HG       SER  27   4.446   0.810  -2.671
  172    H    ARG  28           HN       ARG  28   5.699   5.103  -1.138
  173    HA   ARG  28           HA       ARG  28   7.790   3.534  -0.003
  174    HB2  ARG  28           HB2      ARG  28   7.692   6.416  -0.875
  175    HB3  ARG  28           HB1      ARG  28   9.158   5.608  -0.338
  176    HG2  ARG  28           HG2      ARG  28   8.979   4.033  -2.188
  177    HG3  ARG  28           HG1      ARG  28   7.489   4.813  -2.718
  178    HD2  ARG  28           HD2      ARG  28   8.790   6.939  -2.942
  179    HD3  ARG  28           HD1      ARG  28  10.253   6.008  -2.632
  180    HE   ARG  28           HE       ARG  28   8.474   5.620  -4.963
  181   HH11  ARG  28          HH11      ARG  28  11.651   5.442  -3.480
  182   HH12  ARG  28          HH12      ARG  28  12.450   5.023  -4.961
  183   HH21  ARG  28          HH21      ARG  28   9.521   5.055  -6.886
  184   HH22  ARG  28          HH22      ARG  28  11.234   4.783  -6.898
  185    H    VAL  29           HN       VAL  29   5.699   6.042   1.192
  186    HA   VAL  29           HA       VAL  29   7.413   6.501   3.491
  187    HB   VAL  29           HB       VAL  29   5.742   8.264   4.098
  188   HG11  VAL  29          HG11      VAL  29   7.761   8.843   2.922
  189   HG12  VAL  29          HG12      VAL  29   6.423   9.777   2.254
  190   HG13  VAL  29          HG13      VAL  29   7.044   8.377   1.381
  191   HG21  VAL  29          HG21      VAL  29   4.601   7.626   1.381
  192   HG22  VAL  29          HG22      VAL  29   4.121   8.958   2.432
  193   HG23  VAL  29          HG23      VAL  29   3.813   7.292   2.920
  194    H    PHE  30           HN       PHE  30   4.208   5.144   2.815
  195    HA   PHE  30           HA       PHE  30   4.180   4.190   5.607
  196    HB2  PHE  30           HB2      PHE  30   1.708   5.004   4.065
  197    HB3  PHE  30           HB1      PHE  30   1.792   4.513   5.752
  198    HD1  PHE  30           HD2      PHE  30   3.775   6.046   7.002
  199    HD2  PHE  30           HD1      PHE  30   1.189   7.232   3.829
  200    HE1  PHE  30           HE2      PHE  30   4.025   8.398   7.676
  201    HE2  PHE  30           HE1      PHE  30   1.444   9.583   4.499
  202    HZ   PHE  30           HZ       PHE  30   2.835  10.169   6.415
  203    H    HIS  31           HN       HIS  31   5.292   2.577   3.882
  204    HA   HIS  31           HA       HIS  31   3.634   1.047   2.226
  205    HB2  HIS  31           HB2      HIS  31   6.156   1.158   2.162
  206    HB3  HIS  31           HB1      HIS  31   6.165   0.061   3.538
  207    HD1  HIS  31           HD1      HIS  31   4.655   0.067   0.008
  208    HD2  HIS  31           HD2      HIS  31   6.386  -2.488   2.798
  209    HE1  HIS  31           HE1      HIS  31   4.790  -2.210  -1.092
  210    H    GLU  32           HN       GLU  32   4.622   0.525   5.595
  211    HA   GLU  32           HA       GLU  32   3.613  -2.097   5.821
  212    HB2  GLU  32           HB2      GLU  32   3.995   0.015   7.953
  213    HB3  GLU  32           HB1      GLU  32   3.592  -1.660   8.288
  214    HG2  GLU  32           HG2      GLU  32   5.896  -1.491   8.645
  215    HG3  GLU  32           HG1      GLU  32   5.730  -2.270   7.074
  216    H    ASP  33           HN       ASP  33   2.216   1.024   6.666
  217    HA   ASP  33           HA       ASP  33  -0.268  -0.051   7.554
  218    HB2  ASP  33           HB2      ASP  33   0.605   2.746   6.862
  219    HB3  ASP  33           HB1      ASP  33  -1.025   2.373   7.410
  220    H    CYS  34           HN       CYS  34   0.984   0.822   4.486
  221    HA   CYS  34           HA       CYS  34  -1.336   1.513   3.095
  222    HB2  CYS  34           HB2      CYS  34   0.997   1.741   2.231
  223    HB3  CYS  34           HB1      CYS  34   1.036  -0.007   1.999
  224    H    HIS  35           HN       HIS  35  -0.067  -1.611   4.006
  225    HA   HIS  35           HA       HIS  35  -1.912  -3.006   2.244
  226    HB2  HIS  35           HB2      HIS  35   0.195  -4.053   4.141
  227    HB3  HIS  35           HB1      HIS  35  -0.767  -5.046   3.048
  228    HD1  HIS  35           HD1      HIS  35  -0.095  -5.013   0.521
  229    HD2  HIS  35           HD2      HIS  35   2.146  -2.468   2.926
  230    HE1  HIS  35           HE1      HIS  35   1.903  -4.300  -0.858
  231    H    ILE  36           HN       ILE  36  -3.236  -1.520   4.120
  232    HA   ILE  36           HA       ILE  36  -4.476  -3.645   5.739
  233    HB   ILE  36           HB       ILE  36  -4.254  -0.725   6.502
  234   HG12  ILE  36          HG12      ILE  36  -2.954  -3.164   7.737
  235   HG13  ILE  36          HG11      ILE  36  -2.127  -1.954   6.763
  236   HG21  ILE  36          HG21      ILE  36  -6.350  -1.696   7.241
  237   HG22  ILE  36          HG22      ILE  36  -5.285  -1.425   8.620
  238   HG23  ILE  36          HG23      ILE  36  -5.487  -3.052   7.969
  239   HD11  ILE  36          HD11      ILE  36  -3.456  -1.472   9.421
  240   HD12  ILE  36          HD12      ILE  36  -2.616  -0.262   8.453
  241   HD13  ILE  36          HD13      ILE  36  -1.722  -1.620   9.137
  242    HA   PRO  37           HA       PRO  37  -6.226  -4.544   6.182
  243    HB2  PRO  37           HB2      PRO  37  -8.038  -5.840   4.297
  244    HB3  PRO  37           HB1      PRO  37  -8.270  -5.526   6.021
  245    HG2  PRO  37           HG2      PRO  37  -9.677  -4.245   4.086
  246    HG3  PRO  37           HG1      PRO  37  -9.278  -3.492   5.641
  247    HD2  PRO  37           HD2      PRO  37  -7.955  -3.147   2.973
  248    HD3  PRO  37           HD1      PRO  37  -8.359  -1.925   4.198
  249    HA   PRO  38           HA       PRO  38  -3.304  -6.623   3.565
  250    HB2  PRO  38           HB2      PRO  38  -2.972  -8.908   4.974
  251    HB3  PRO  38           HB1      PRO  38  -2.325  -7.354   5.515
  252    HG2  PRO  38           HG2      PRO  38  -4.810  -8.781   6.382
  253    HG3  PRO  38           HG1      PRO  38  -3.612  -7.920   7.368
  254    HD2  PRO  38           HD2      PRO  38  -6.002  -6.824   6.640
  255    HD3  PRO  38           HD1      PRO  38  -4.538  -5.857   6.915
  256    H    VAL  39           HN       VAL  39  -5.363  -6.755   2.097
  257    HA   VAL  39           HA       VAL  39  -6.290  -9.510   1.809
  258    HB   VAL  39           HB       VAL  39  -7.813  -8.550   0.066
  259   HG11  VAL  39          HG11      VAL  39  -9.273  -7.390   1.679
  260   HG12  VAL  39          HG12      VAL  39  -7.928  -7.318   2.817
  261   HG13  VAL  39          HG13      VAL  39  -8.596  -8.878   2.336
  262   HG21  VAL  39          HG21      VAL  39  -8.081  -6.129  -0.057
  263   HG22  VAL  39          HG22      VAL  39  -6.448  -6.597  -0.534
  264   HG23  VAL  39          HG23      VAL  39  -6.738  -5.912   1.065
  265    H    GLU  40           HN       GLU  40  -6.245 -10.543  -0.300
  266    HA   GLU  40           HA       GLU  40  -4.158  -9.532  -2.101
  267    HB2  GLU  40           HB2      GLU  40  -3.165 -11.742  -2.293
  268    HB3  GLU  40           HB1      GLU  40  -3.159 -11.237  -0.610
  269    HG2  GLU  40           HG2      GLU  40  -5.277 -13.029  -1.759
  270    HG3  GLU  40           HG1      GLU  40  -3.772 -13.641  -1.082
  271    H    ALA  41           HN       ALA  41  -7.179  -9.782  -2.090
  272    HA   ALA  41           HA       ALA  41  -7.451 -10.996  -4.717
  273    HB1  ALA  41           HB1      ALA  41  -9.058 -11.966  -2.360
  274    HB2  ALA  41           HB2      ALA  41  -7.823 -12.878  -3.228
  275    HB3  ALA  41           HB3      ALA  41  -9.320 -12.425  -4.040
  276    H    GLU  42           HN       GLU  42  -7.871  -8.363  -3.075
  277    HA   GLU  42           HA       GLU  42 -10.504  -7.763  -4.259
  278    HB2  GLU  42           HB2      GLU  42  -9.574  -7.010  -1.483
  279    HB3  GLU  42           HB1      GLU  42 -10.981  -6.307  -2.270
  280    HG2  GLU  42           HG2      GLU  42 -12.009  -8.520  -2.404
  281    HG3  GLU  42           HG1      GLU  42 -10.603  -9.220  -1.604
  282    H    ARG  43           HN       ARG  43  -8.605  -7.119  -5.806
  283    HA   ARG  43           HA       ARG  43  -7.497  -4.508  -5.100
  284    HB2  ARG  43           HB2      ARG  43  -6.163  -4.823  -7.220
  285    HB3  ARG  43           HB1      ARG  43  -5.828  -5.952  -5.922
  286    HG2  ARG  43           HG2      ARG  43  -7.424  -7.542  -7.104
  287    HG3  ARG  43           HG1      ARG  43  -7.306  -6.442  -8.481
  288    HD2  ARG  43           HD2      ARG  43  -5.692  -8.328  -8.585
  289    HD3  ARG  43           HD1      ARG  43  -4.920  -6.741  -8.576
  290    HE   ARG  43           HE       ARG  43  -5.179  -7.806  -5.939
  291   HH11  ARG  43          HH11      ARG  43  -3.230  -8.070  -8.845
  292   HH12  ARG  43          HH12      ARG  43  -1.799  -8.530  -7.981
  293   HH21  ARG  43          HH21      ARG  43  -3.343  -8.371  -4.817
  294   HH22  ARG  43          HH22      ARG  43  -1.856  -8.701  -5.666
  295    H    THR  44           HN       THR  44 -10.296  -4.856  -5.721
  296    HA   THR  44           HA       THR  44 -10.483  -2.626  -7.506
  297    HB   THR  44           HB       THR  44 -10.494  -4.471  -9.133
  298    HG1  THR  44           HG1      THR  44 -11.793  -3.175 -10.149
  299   HG21  THR  44          HG21      THR  44 -12.402  -6.029  -9.227
  300   HG22  THR  44          HG22      THR  44 -12.970  -5.409  -7.677
  301   HG23  THR  44          HG23      THR  44 -11.430  -6.261  -7.775
  302    HA   PRO  45           HA       PRO  45 -11.772  -1.066  -8.018
  303    HB2  PRO  45           HB2      PRO  45 -12.360   1.004  -6.019
  304    HB3  PRO  45           HB1      PRO  45 -12.951   0.854  -7.677
  305    HG2  PRO  45           HG2      PRO  45 -14.560   0.463  -5.553
  306    HG3  PRO  45           HG1      PRO  45 -14.748  -0.463  -7.060
  307    HD2  PRO  45           HD2      PRO  45 -13.431  -1.281  -4.484
  308    HD3  PRO  45           HD1      PRO  45 -14.522  -2.212  -5.534
  309    H    TRP  46           HN       TRP  46  -9.839   0.176  -8.071
  310    HA   TRP  46           HA       TRP  46  -8.104  -0.294  -5.746
  311    HB2  TRP  46           HB2      TRP  46  -7.361  -1.221  -7.956
  312    HB3  TRP  46           HB1      TRP  46  -7.299   0.424  -8.581
  313    HD1  TRP  46           HD1      TRP  46  -5.465  -1.939  -6.196
  314    HE1  TRP  46           HE1      TRP  46  -3.137  -0.967  -5.690
  315    HE3  TRP  46           HE3      TRP  46  -5.978   2.626  -8.460
  316    HZ2  TRP  46           HZ2      TRP  46  -1.711   1.418  -6.179
  317    HZ3  TRP  46           HZ3      TRP  46  -4.079   4.191  -8.392
  318    HH2  TRP  46           HH2      TRP  46  -1.994   3.600  -7.275
  319    H    ASN  47           HN       ASN  47  -7.608   1.389  -4.493
  320    HA   ASN  47           HA       ASN  47  -7.379   4.057  -5.628
  321    HB2  ASN  47           HB2      ASN  47  -9.318   3.363  -3.406
  322    HB3  ASN  47           HB1      ASN  47  -8.815   5.002  -3.783
  323   HD21  ASN  47          HD21      ASN  47  -9.483   5.936  -5.734
  324   HD22  ASN  47          HD22      ASN  47 -10.853   5.326  -6.594
  325    H    CYS  48           HN       CYS  48  -6.064   5.421  -4.406
  326    HA   CYS  48           HA       CYS  48  -4.399   4.173  -2.412
  327    HB2  CYS  48           HB2      CYS  48  -3.402   5.784  -3.957
  328    HB3  CYS  48           HB1      CYS  48  -4.524   7.029  -3.422
  329    H    ILE  49           HN       ILE  49  -5.169   3.870  -0.438
  330    HA   ILE  49           HA       ILE  49  -7.481   5.070   0.580
  331    HB   ILE  49           HB       ILE  49  -6.732   4.170   2.818
  332   HG12  ILE  49          HG12      ILE  49  -4.425   3.107   1.164
  333   HG13  ILE  49          HG11      ILE  49  -4.311   4.287   2.461
  334   HG21  ILE  49          HG21      ILE  49  -7.026   1.812   2.141
  335   HG22  ILE  49          HG22      ILE  49  -6.831   2.297   0.459
  336   HG23  ILE  49          HG23      ILE  49  -8.196   2.897   1.395
  337   HD11  ILE  49          HD11      ILE  49  -3.609   2.104   3.216
  338   HD12  ILE  49          HD12      ILE  49  -5.164   1.418   2.745
  339   HD13  ILE  49          HD13      ILE  49  -5.079   2.600   4.051
  340    H    PHE  50           HN       PHE  50  -4.121   6.020   0.895
  341    HA   PHE  50           HA       PHE  50  -4.630   7.890   2.999
  342    HB2  PHE  50           HB2      PHE  50  -2.249   7.636   1.143
  343    HB3  PHE  50           HB1      PHE  50  -2.321   8.704   2.542
  344    HD1  PHE  50           HD1      PHE  50  -2.749   7.633   4.826
  345    HD2  PHE  50           HD2      PHE  50  -1.549   5.420   1.390
  346    HE1  PHE  50           HE1      PHE  50  -1.997   5.798   6.274
  347    HE2  PHE  50           HE2      PHE  50  -0.796   3.583   2.835
  348    HZ   PHE  50           HZ       PHE  50  -1.023   3.766   5.279
  349    H    CYS  51           HN       CYS  51  -4.393   8.131  -0.521
  350    HA   CYS  51           HA       CYS  51  -4.640  10.989  -0.476
  351    HB2  CYS  51           HB2      CYS  51  -4.660   8.948  -2.678
  352    HB3  CYS  51           HB1      CYS  51  -5.078  10.629  -2.998
  353    H    ARG  52           HN       ARG  52  -6.880   8.284  -0.960
  354    HA   ARG  52           HA       ARG  52  -9.050  10.042  -1.666
  355    HB2  ARG  52           HB2      ARG  52  -8.979   7.096  -1.027
  356    HB3  ARG  52           HB1      ARG  52 -10.446   7.957  -1.464
  357    HG2  ARG  52           HG2      ARG  52  -8.000   7.634  -3.195
  358    HG3  ARG  52           HG1      ARG  52  -9.518   6.752  -3.360
  359    HD2  ARG  52           HD2      ARG  52  -9.691   8.428  -4.967
  360    HD3  ARG  52           HD1      ARG  52 -10.600   9.074  -3.605
  361    HE   ARG  52           HE       ARG  52  -7.791   9.838  -3.911
  362   HH11  ARG  52          HH11      ARG  52 -11.176  10.721  -4.111
  363   HH12  ARG  52          HH12      ARG  52 -10.858  12.425  -4.146
  364   HH21  ARG  52          HH21      ARG  52  -7.374  12.086  -3.953
  365   HH22  ARG  52          HH22      ARG  52  -8.698  13.202  -4.043
  366    H    MET  53           HN       MET  53  -7.826   8.608   1.255
  367    HA   MET  53           HA       MET  53  -9.971   9.972   2.728
  368    HB2  MET  53           HB2      MET  53 -10.422   7.539   2.704
  369    HB3  MET  53           HB1      MET  53  -8.839   7.246   3.408
  370    HG2  MET  53           HG2      MET  53 -10.641   7.124   5.057
  371    HG3  MET  53           HG1      MET  53  -9.476   8.394   5.431
  372    HE1  MET  53           HE1      MET  53 -11.217   9.433   7.162
  373    HE2  MET  53           HE2      MET  53 -12.380   8.169   6.763
  374    HE3  MET  53           HE3      MET  53 -12.875   9.861   6.740
  375    H    LYS  54           HN       LYS  54  -8.515  11.694   3.022
  376    HA   LYS  54           HA       LYS  54  -6.336  11.122   4.922
  377    HB2  LYS  54           HB2      LYS  54  -5.288  13.235   4.077
  378    HB3  LYS  54           HB1      LYS  54  -5.382  11.950   2.881
  379    HG2  LYS  54           HG2      LYS  54  -7.303  13.016   1.846
  380    HG3  LYS  54           HG1      LYS  54  -7.290  14.275   3.081
  381    HD2  LYS  54           HD2      LYS  54  -6.252  15.081   1.034
  382    HD3  LYS  54           HD1      LYS  54  -5.059  14.978   2.328
  383    HE2  LYS  54           HE2      LYS  54  -4.259  12.850   1.426
  384    HE3  LYS  54           HE1      LYS  54  -5.462  12.939   0.140
  385    HZ1  LYS  54           HZ1      LYS  54  -3.260  14.884   0.576
  386    HZ2  LYS  54           HZ2      LYS  54  -4.399  14.944  -0.672
  387    HZ3  LYS  54           HZ3      LYS  54  -3.283  13.679  -0.609
  388    H    GLU  55           HN       GLU  55  -9.048  11.495   5.669
  389    HA   GLU  55           HA       GLU  55  -9.269  14.251   6.583
  390    HB2  GLU  55           HB2      GLU  55 -11.216  11.969   6.937
  391    HB3  GLU  55           HB1      GLU  55 -11.531  13.670   7.241
  392    HG2  GLU  55           HG2      GLU  55 -10.959  12.415   4.569
  393    HG3  GLU  55           HG1      GLU  55 -12.525  12.974   5.151
  394    H    SER  56           HN       SER  56  -7.839  14.483   8.247
  395    HA   SER  56           HA       SER  56  -8.618  13.202  10.736
  396    HB2  SER  56           HB2      SER  56  -6.756  11.820   9.710
  397    HB3  SER  56           HB1      SER  56  -5.711  13.229   9.882
  398    HG   SER  56           HG       SER  56  -5.355  12.335  11.774
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1  13.802   7.383  -6.328
    2    H2   GLY   1           HT2      GLY   1  13.290   8.153  -4.912
    3    H3   GLY   1           HT3      GLY   1  12.343   8.235  -6.306
    4    HA2  GLY   1           HA1      GLY   1  12.920   5.795  -4.731
    5    HA3  GLY   1           HA2      GLY   1  11.396   6.667  -4.750
    6    H    ALA   2           HN       ALA   2  11.712   3.939  -5.374
    7    HA   ALA   2           HA       ALA   2  11.009   2.379  -6.857
    8    HB1  ALA   2           HB1      ALA   2   9.086   3.926  -7.116
    9    HB2  ALA   2           HB2      ALA   2   9.433   2.988  -8.568
   10    HB3  ALA   2           HB3      ALA   2   9.921   4.680  -8.474
   11    H    MET   3           HN       MET   3  13.578   2.713  -7.057
   12    HA   MET   3           HA       MET   3  14.513   3.589  -9.618
   13    HB2  MET   3           HB2      MET   3  15.905   3.569  -7.544
   14    HB3  MET   3           HB1      MET   3  15.897   1.814  -7.599
   15    HG2  MET   3           HG2      MET   3  17.040   1.887  -9.769
   16    HG3  MET   3           HG1      MET   3  17.073   3.646  -9.681
   17    HE1  MET   3           HE1      MET   3  19.394   0.838  -6.848
   18    HE2  MET   3           HE2      MET   3  18.380   0.292  -8.183
   19    HE3  MET   3           HE3      MET   3  17.643   1.026  -6.759
   20    H    GLY   4           HN       GLY   4  13.176   0.683  -8.385
   21    HA2  GLY   4           HA2      GLY   4  12.422  -0.777 -10.341
   22    HA3  GLY   4           HA1      GLY   4  14.137  -0.829 -10.729
   23    H    MET   5           HN       MET   5  12.727  -0.891  -7.515
   24    HA   MET   5           HA       MET   5  13.652  -3.664  -7.207
   25    HB2  MET   5           HB2      MET   5  13.997  -1.423  -5.203
   26    HB3  MET   5           HB1      MET   5  14.423  -3.106  -4.932
   27    HG2  MET   5           HG2      MET   5  16.096  -2.982  -6.689
   28    HG3  MET   5           HG1      MET   5  15.651  -1.308  -7.009
   29    HE1  MET   5           HE1      MET   5  16.749   0.462  -3.683
   30    HE2  MET   5           HE2      MET   5  15.166  -0.260  -3.966
   31    HE3  MET   5           HE3      MET   5  15.961   0.653  -5.249
   32    H    ARG   6           HN       ARG   6  12.109  -4.963  -6.470
   33    HA   ARG   6           HA       ARG   6  10.022  -3.831  -4.744
   34    HB2  ARG   6           HB2      ARG   6   9.668  -5.652  -7.111
   35    HB3  ARG   6           HB1      ARG   6   8.473  -5.576  -5.828
   36    HG2  ARG   6           HG2      ARG   6   9.379  -3.200  -7.434
   37    HG3  ARG   6           HG1      ARG   6   7.960  -4.175  -7.817
   38    HD2  ARG   6           HD2      ARG   6   7.164  -2.303  -6.616
   39    HD3  ARG   6           HD1      ARG   6   7.135  -3.651  -5.484
   40    HE   ARG   6           HE       ARG   6   9.565  -2.137  -5.338
   41   HH11  ARG   6          HH11      ARG   6   6.236  -2.270  -4.257
   42   HH12  ARG   6          HH12      ARG   6   6.517  -1.269  -2.869
   43   HH21  ARG   6          HH21      ARG   6   9.943  -0.861  -3.493
   44   HH22  ARG   6          HH22      ARG   6   8.632  -0.484  -2.419
   45    H    ASN   7           HN       ASN   7  12.301  -4.990  -3.777
   46    HA   ASN   7           HA       ASN   7  11.413  -7.661  -2.923
   47    HB2  ASN   7           HB2      ASN   7  13.694  -7.564  -3.885
   48    HB3  ASN   7           HB1      ASN   7  14.153  -6.409  -2.641
   49   HD21  ASN   7          HD21      ASN   7  13.263  -9.732  -3.272
   50   HD22  ASN   7          HD22      ASN   7  13.879 -10.378  -1.792
   51    H    LEU   8           HN       LEU   8   9.964  -7.115  -1.377
   52    HA   LEU   8           HA       LEU   8  10.954  -5.553   0.899
   53    HB2  LEU   8           HB2      LEU   8   8.169  -6.279   0.023
   54    HB3  LEU   8           HB1      LEU   8   8.511  -5.621   1.607
   55    HG   LEU   8           HG       LEU   8   7.749  -3.814   0.307
   56   HD11  LEU   8          HD11      LEU   8   9.734  -3.327   1.667
   57   HD12  LEU   8          HD12      LEU   8   9.601  -2.287   0.250
   58   HD13  LEU   8          HD13      LEU   8  10.750  -3.623   0.255
   59   HD21  LEU   8          HD21      LEU   8   9.713  -4.598  -1.835
   60   HD22  LEU   8          HD22      LEU   8   8.632  -3.205  -1.870
   61   HD23  LEU   8          HD23      LEU   8   7.968  -4.839  -1.894
   62    H    ASP   9           HN       ASP   9  11.865  -6.776   2.384
   63    HA   ASP   9           HA       ASP   9  11.122  -9.582   2.589
   64    HB2  ASP   9           HB2      ASP   9  13.525  -8.882   2.474
   65    HB3  ASP   9           HB1      ASP   9  13.324  -8.123   4.051
   66    H    GLU  10           HN       GLU  10  10.587  -6.612   4.205
   67    HA   GLU  10           HA       GLU  10   9.893  -7.881   6.727
   68    HB2  GLU  10           HB2      GLU  10   9.828  -5.002   5.817
   69    HB3  GLU  10           HB1      GLU  10   9.362  -5.536   7.425
   70    HG2  GLU  10           HG2      GLU  10  12.081  -5.913   6.200
   71    HG3  GLU  10           HG1      GLU  10  11.644  -4.631   7.330
   72    H    CYS  11           HN       CYS  11   8.447  -7.206   3.798
   73    HA   CYS  11           HA       CYS  11   5.778  -6.881   4.977
   74    HB2  CYS  11           HB2      CYS  11   6.614  -5.148   3.352
   75    HB3  CYS  11           HB1      CYS  11   6.592  -6.391   2.114
   76    H    GLU  12           HN       GLU  12   5.282  -8.976   5.420
   77    HA   GLU  12           HA       GLU  12   5.846 -11.204   3.809
   78    HB2  GLU  12           HB2      GLU  12   5.232 -11.242   6.234
   79    HB3  GLU  12           HB1      GLU  12   3.577 -10.874   5.774
   80    HG2  GLU  12           HG2      GLU  12   3.790 -13.225   6.208
   81    HG3  GLU  12           HG1      GLU  12   3.492 -12.968   4.489
   82    H    VAL  13           HN       VAL  13   3.227  -8.918   3.818
   83    HA   VAL  13           HA       VAL  13   1.456 -10.476   2.254
   84    HB   VAL  13           HB       VAL  13   0.480  -8.817   3.631
   85   HG11  VAL  13          HG11      VAL  13   0.880  -6.454   3.429
   86   HG12  VAL  13          HG12      VAL  13   2.027  -6.732   2.123
   87   HG13  VAL  13          HG13      VAL  13   2.391  -7.299   3.752
   88   HG21  VAL  13          HG21      VAL  13  -0.668  -9.201   1.516
   89   HG22  VAL  13          HG22      VAL  13   0.265  -7.899   0.774
   90   HG23  VAL  13          HG23      VAL  13  -0.879  -7.538   2.067
   91    H    CYS  14           HN       CYS  14   3.818  -7.940   1.413
   92    HA   CYS  14           HA       CYS  14   3.217  -7.874  -1.345
   93    HB2  CYS  14           HB2      CYS  14   5.527  -7.067   0.326
   94    HB3  CYS  14           HB1      CYS  14   5.852  -7.337  -1.380
   95    H    ARG  15           HN       ARG  15   5.263  -9.926   0.591
   96    HA   ARG  15           HA       ARG  15   6.553 -11.309  -1.505
   97    HB2  ARG  15           HB2      ARG  15   7.392 -11.340   0.778
   98    HB3  ARG  15           HB1      ARG  15   5.933 -12.152   1.326
   99    HG2  ARG  15           HG2      ARG  15   6.526 -14.098  -0.051
  100    HG3  ARG  15           HG1      ARG  15   8.020 -13.286  -0.522
  101    HD2  ARG  15           HD2      ARG  15   7.232 -13.913   2.316
  102    HD3  ARG  15           HD1      ARG  15   8.303 -14.913   1.336
  103    HE   ARG  15           HE       ARG  15   9.861 -13.041   1.294
  104   HH11  ARG  15          HH11      ARG  15   7.296 -12.902   3.690
  105   HH12  ARG  15          HH12      ARG  15   8.199 -11.864   4.761
  106   HH21  ARG  15          HH21      ARG  15  11.035 -11.706   2.715
  107   HH22  ARG  15          HH22      ARG  15  10.311 -11.181   4.205
  108    H    ASP  16           HN       ASP  16   3.569 -11.882   0.259
  109    HA   ASP  16           HA       ASP  16   2.926 -14.313  -1.085
  110    HB2  ASP  16           HB2      ASP  16   2.066 -13.743   1.153
  111    HB3  ASP  16           HB1      ASP  16   1.145 -12.415   0.462
  112    H    GLY  17           HN       GLY  17   2.916 -11.145  -2.151
  113    HA2  GLY  17           HA2      GLY  17   2.296 -10.399  -4.282
  114    HA3  GLY  17           HA1      GLY  17   1.341 -11.863  -4.492
  115    H    GLY  18           HN       GLY  18   0.956 -10.140  -1.584
  116    HA2  GLY  18           HA2      GLY  18  -1.793  -9.755  -1.871
  117    HA3  GLY  18           HA1      GLY  18  -0.783  -8.991  -0.662
  118    H    GLU  19           HN       GLU  19  -2.747  -7.526  -1.304
  119    HA   GLU  19           HA       GLU  19  -2.335  -5.956  -3.697
  120    HB2  GLU  19           HB2      GLU  19  -4.429  -5.790  -1.525
  121    HB3  GLU  19           HB1      GLU  19  -4.459  -4.891  -3.038
  122    HG2  GLU  19           HG2      GLU  19  -4.717  -6.878  -4.309
  123    HG3  GLU  19           HG1      GLU  19  -4.407  -7.889  -2.899
  124    H    LEU  20           HN       LEU  20  -2.306  -3.638  -3.644
  125    HA   LEU  20           HA       LEU  20  -1.273  -2.408  -1.196
  126    HB2  LEU  20           HB2      LEU  20   0.579  -3.225  -2.763
  127    HB3  LEU  20           HB1      LEU  20   0.018  -2.015  -3.898
  128    HG   LEU  20           HG       LEU  20   0.930  -1.294  -1.113
  129   HD11  LEU  20          HD11      LEU  20   2.606  -1.299  -3.627
  130   HD12  LEU  20          HD12      LEU  20   2.732  -2.494  -2.338
  131   HD13  LEU  20          HD13      LEU  20   3.113  -0.806  -2.011
  132   HD21  LEU  20          HD21      LEU  20   0.738   0.305  -3.670
  133   HD22  LEU  20          HD22      LEU  20   1.268   0.907  -2.101
  134   HD23  LEU  20          HD23      LEU  20  -0.400   0.381  -2.326
  135    H    PHE  21           HN       PHE  21  -2.335  -0.500  -0.855
  136    HA   PHE  21           HA       PHE  21  -3.868   0.579  -3.143
  137    HB2  PHE  21           HB2      PHE  21  -4.609   0.645  -0.202
  138    HB3  PHE  21           HB1      PHE  21  -5.575   1.303  -1.520
  139    HD1  PHE  21           HD2      PHE  21  -6.525  -0.285  -3.236
  140    HD2  PHE  21           HD1      PHE  21  -4.748  -1.624   0.398
  141    HE1  PHE  21           HE2      PHE  21  -7.631  -2.465  -3.500
  142    HE2  PHE  21           HE1      PHE  21  -5.854  -3.805   0.136
  143    HZ   PHE  21           HZ       PHE  21  -7.294  -4.228  -1.812
  144    H    CYS  22           HN       CYS  22  -1.611   1.735  -3.294
  145    HA   CYS  22           HA       CYS  22  -1.956   4.395  -2.183
  146    HB2  CYS  22           HB2      CYS  22   0.202   2.525  -1.316
  147    HB3  CYS  22           HB1      CYS  22   0.607   4.226  -1.510
  148    H    CYS  23           HN       CYS  23  -0.599   5.987  -3.170
  149    HA   CYS  23           HA       CYS  23   0.313   5.460  -5.838
  150    HB2  CYS  23           HB2      CYS  23   1.099   7.883  -4.224
  151    HB3  CYS  23           HB1      CYS  23   0.792   7.770  -5.957
  152    H    ASP  24           HN       ASP  24   2.649   5.861  -6.479
  153    HA   ASP  24           HA       ASP  24   4.351   4.122  -5.183
  154    HB2  ASP  24           HB2      ASP  24   4.873   4.827  -7.412
  155    HB3  ASP  24           HB1      ASP  24   5.044   6.504  -6.901
  156    H    THR  25           HN       THR  25   4.319   7.667  -4.827
  157    HA   THR  25           HA       THR  25   6.375   7.790  -2.919
  158    HB   THR  25           HB       THR  25   4.049   9.697  -3.195
  159    HG1  THR  25           HG1      THR  25   5.033  10.455  -4.922
  160   HG21  THR  25          HG21      THR  25   6.829  10.081  -2.080
  161   HG22  THR  25          HG22      THR  25   5.338  10.019  -1.141
  162   HG23  THR  25          HG23      THR  25   5.616  11.344  -2.271
  163    H    CYS  26           HN       CYS  26   2.860   7.576  -2.527
  164    HA   CYS  26           HA       CYS  26   2.808   7.723   0.276
  165    HB2  CYS  26           HB2      CYS  26   0.863   6.344  -1.591
  166    HB3  CYS  26           HB1      CYS  26   0.532   6.814   0.075
  167    H    SER  27           HN       SER  27   3.121   5.003  -1.941
  168    HA   SER  27           HA       SER  27   3.011   2.928  -0.032
  169    HB2  SER  27           HB2      SER  27   4.496   2.961  -2.668
  170    HB3  SER  27           HB1      SER  27   3.944   1.539  -1.785
  171    HG   SER  27           HG       SER  27   2.579   2.251  -3.564
  172    H    ARG  28           HN       ARG  28   5.596   5.007  -1.148
  173    HA   ARG  28           HA       ARG  28   7.705   3.479   0.017
  174    HB2  ARG  28           HB2      ARG  28   7.485   6.226  -1.157
  175    HB3  ARG  28           HB1      ARG  28   8.962   5.712  -0.353
  176    HG2  ARG  28           HG2      ARG  28   9.501   4.224  -1.991
  177    HG3  ARG  28           HG1      ARG  28   7.818   3.933  -2.430
  178    HD2  ARG  28           HD2      ARG  28   9.129   5.168  -4.153
  179    HD3  ARG  28           HD1      ARG  28   7.683   6.007  -3.593
  180    HE   ARG  28           HE       ARG  28   9.927   6.837  -2.086
  181   HH11  ARG  28          HH11      ARG  28   8.507   7.132  -5.283
  182   HH12  ARG  28          HH12      ARG  28   9.172   8.720  -5.558
  183   HH21  ARG  28          HH21      ARG  28  10.783   8.927  -2.454
  184   HH22  ARG  28          HH22      ARG  28  10.460   9.732  -3.960
  185    H    VAL  29           HN       VAL  29   5.747   6.201   1.059
  186    HA   VAL  29           HA       VAL  29   7.413   6.680   3.360
  187    HB   VAL  29           HB       VAL  29   4.744   7.917   2.690
  188   HG11  VAL  29          HG11      VAL  29   5.359   8.172   5.033
  189   HG12  VAL  29          HG12      VAL  29   5.471   9.715   4.188
  190   HG13  VAL  29          HG13      VAL  29   6.935   8.808   4.562
  191   HG21  VAL  29          HG21      VAL  29   7.537   8.872   2.076
  192   HG22  VAL  29          HG22      VAL  29   6.060   9.797   1.817
  193   HG23  VAL  29          HG23      VAL  29   6.343   8.316   0.903
  194    H    PHE  30           HN       PHE  30   4.287   5.160   2.715
  195    HA   PHE  30           HA       PHE  30   4.282   4.231   5.517
  196    HB2  PHE  30           HB2      PHE  30   1.807   5.047   3.979
  197    HB3  PHE  30           HB1      PHE  30   1.871   4.476   5.640
  198    HD1  PHE  30           HD2      PHE  30   3.309   5.918   7.276
  199    HD2  PHE  30           HD1      PHE  30   1.759   7.317   3.563
  200    HE1  PHE  30           HE2      PHE  30   3.535   8.238   8.057
  201    HE2  PHE  30           HE1      PHE  30   1.989   9.639   4.343
  202    HZ   PHE  30           HZ       PHE  30   2.772  10.100   6.615
  203    H    HIS  31           HN       HIS  31   5.390   2.632   3.729
  204    HA   HIS  31           HA       HIS  31   3.898   1.153   1.965
  205    HB2  HIS  31           HB2      HIS  31   6.377   1.080   2.215
  206    HB3  HIS  31           HB1      HIS  31   6.166   0.088   3.652
  207    HD1  HIS  31           HD1      HIS  31   5.273  -0.102  -0.070
  208    HD2  HIS  31           HD2      HIS  31   6.222  -2.539   3.161
  209    HE1  HIS  31           HE1      HIS  31   5.425  -2.465  -0.978
  210    H    GLU  32           HN       GLU  32   4.427   0.424   5.398
  211    HA   GLU  32           HA       GLU  32   3.184  -2.123   5.321
  212    HB2  GLU  32           HB2      GLU  32   3.471  -0.303   7.710
  213    HB3  GLU  32           HB1      GLU  32   3.314  -2.055   7.723
  214    HG2  GLU  32           HG2      GLU  32   5.481  -2.338   6.801
  215    HG3  GLU  32           HG1      GLU  32   5.627  -0.615   6.456
  216    H    ASP  33           HN       ASP  33   2.101   1.097   6.047
  217    HA   ASP  33           HA       ASP  33  -0.481   0.398   7.018
  218    HB2  ASP  33           HB2      ASP  33   0.513   3.030   5.916
  219    HB3  ASP  33           HB1      ASP  33  -0.933   2.798   6.893
  220    H    CYS  34           HN       CYS  34   0.907   0.896   3.923
  221    HA   CYS  34           HA       CYS  34  -1.515   1.527   2.535
  222    HB2  CYS  34           HB2      CYS  34   1.288   0.871   1.678
  223    HB3  CYS  34           HB1      CYS  34  -0.007   1.093   0.503
  224    H    HIS  35           HN       HIS  35  -0.380  -1.319   3.814
  225    HA   HIS  35           HA       HIS  35  -1.812  -2.939   1.815
  226    HB2  HIS  35           HB2      HIS  35   0.111  -3.789   3.994
  227    HB3  HIS  35           HB1      HIS  35  -0.739  -4.894   2.917
  228    HD1  HIS  35           HD1      HIS  35   0.068  -4.942   0.400
  229    HD2  HIS  35           HD2      HIS  35   2.251  -2.450   2.907
  230    HE1  HIS  35           HE1      HIS  35   2.178  -4.331  -0.857
  231    H    ILE  36           HN       ILE  36  -2.860  -1.185   4.029
  232    HA   ILE  36           HA       ILE  36  -4.608  -3.198   5.264
  233    HB   ILE  36           HB       ILE  36  -3.511  -0.739   6.640
  234   HG12  ILE  36          HG12      ILE  36  -2.970  -3.665   7.192
  235   HG13  ILE  36          HG11      ILE  36  -1.847  -2.556   6.412
  236   HG21  ILE  36          HG21      ILE  36  -4.656  -1.596   8.633
  237   HG22  ILE  36          HG22      ILE  36  -5.344  -2.901   7.666
  238   HG23  ILE  36          HG23      ILE  36  -5.786  -1.228   7.330
  239   HD11  ILE  36          HD11      ILE  36  -1.766  -1.216   8.459
  240   HD12  ILE  36          HD12      ILE  36  -1.268  -2.884   8.741
  241   HD13  ILE  36          HD13      ILE  36  -2.874  -2.347   9.235
  242    HA   PRO  37           HA       PRO  37  -6.317  -3.690   5.510
  243    HB2  PRO  37           HB2      PRO  37  -8.948  -3.989   4.757
  244    HB3  PRO  37           HB1      PRO  37  -8.423  -3.364   6.323
  245    HG2  PRO  37           HG2      PRO  37  -9.772  -1.961   4.206
  246    HG3  PRO  37           HG1      PRO  37  -9.290  -1.348   5.795
  247    HD2  PRO  37           HD2      PRO  37  -7.962  -1.030   3.178
  248    HD3  PRO  37           HD1      PRO  37  -7.807  -0.050   4.652
  249    HA   PRO  38           HA       PRO  38  -5.880  -5.533   1.438
  250    HB2  PRO  38           HB2      PRO  38  -5.642  -8.113   2.223
  251    HB3  PRO  38           HB1      PRO  38  -4.324  -6.947   2.392
  252    HG2  PRO  38           HG2      PRO  38  -6.258  -7.944   4.444
  253    HG3  PRO  38           HG1      PRO  38  -4.522  -7.619   4.605
  254    HD2  PRO  38           HD2      PRO  38  -6.478  -5.898   5.468
  255    HD3  PRO  38           HD1      PRO  38  -4.853  -5.374   4.979
  256    H    VAL  39           HN       VAL  39  -8.123  -4.899   1.023
  257    HA   VAL  39           HA       VAL  39 -10.255  -6.629   1.817
  258    HB   VAL  39           HB       VAL  39 -11.635  -5.186   0.266
  259   HG11  VAL  39          HG11      VAL  39 -10.012  -3.847   2.426
  260   HG12  VAL  39          HG12      VAL  39 -11.515  -4.745   2.643
  261   HG13  VAL  39          HG13      VAL  39 -11.518  -3.222   1.753
  262   HG21  VAL  39          HG21      VAL  39  -9.051  -3.635   0.056
  263   HG22  VAL  39          HG22      VAL  39 -10.628  -3.095  -0.518
  264   HG23  VAL  39          HG23      VAL  39  -9.851  -4.493  -1.260
  265    H    GLU  40           HN       GLU  40  -9.354  -8.589   0.975
  266    HA   GLU  40           HA       GLU  40  -8.857  -9.025  -1.772
  267    HB2  GLU  40           HB2      GLU  40  -9.522 -11.067   0.355
  268    HB3  GLU  40           HB1      GLU  40  -8.723 -11.381  -1.179
  269    HG2  GLU  40           HG2      GLU  40  -6.795 -10.130  -0.496
  270    HG3  GLU  40           HG1      GLU  40  -7.604  -9.613   0.984
  271    H    ALA  41           HN       ALA  41 -11.765  -9.044   0.095
  272    HA   ALA  41           HA       ALA  41 -13.235 -10.579  -1.895
  273    HB1  ALA  41           HB1      ALA  41 -15.145 -10.333  -0.422
  274    HB2  ALA  41           HB2      ALA  41 -14.255  -9.192   0.582
  275    HB3  ALA  41           HB3      ALA  41 -13.742 -10.876   0.495
  276    H    GLU  42           HN       GLU  42 -12.339  -7.383  -1.346
  277    HA   GLU  42           HA       GLU  42 -14.559  -6.321  -2.949
  278    HB2  GLU  42           HB2      GLU  42 -12.344  -4.804  -1.547
  279    HB3  GLU  42           HB1      GLU  42 -13.749  -4.105  -2.333
  280    HG2  GLU  42           HG2      GLU  42 -13.800  -5.863   0.107
  281    HG3  GLU  42           HG1      GLU  42 -13.969  -4.110   0.092
  282    H    ARG  43           HN       ARG  43 -11.091  -5.547  -2.761
  283    HA   ARG  43           HA       ARG  43  -9.534  -5.095  -4.341
  284    HB2  ARG  43           HB2      ARG  43  -9.985  -7.566  -4.700
  285    HB3  ARG  43           HB1      ARG  43 -10.994  -7.098  -6.061
  286    HG2  ARG  43           HG2      ARG  43  -9.213  -6.494  -7.350
  287    HG3  ARG  43           HG1      ARG  43  -8.209  -6.074  -5.960
  288    HD2  ARG  43           HD2      ARG  43  -8.988  -8.872  -6.763
  289    HD3  ARG  43           HD1      ARG  43  -7.430  -8.114  -7.099
  290    HE   ARG  43           HE       ARG  43  -7.659  -7.844  -4.422
  291   HH11  ARG  43          HH11      ARG  43  -7.997 -10.611  -6.549
  292   HH12  ARG  43          HH12      ARG  43  -7.449 -11.749  -5.359
  293   HH21  ARG  43          HH21      ARG  43  -6.938  -9.322  -2.858
  294   HH22  ARG  43          HH22      ARG  43  -6.831 -11.019  -3.257
  295    H    THR  44           HN       THR  44 -12.027  -3.604  -4.310
  296    HA   THR  44           HA       THR  44 -11.578  -1.812  -6.358
  297    HB   THR  44           HB       THR  44 -12.398  -3.536  -7.911
  298    HG1  THR  44           HG1      THR  44 -14.598  -1.949  -8.086
  299   HG21  THR  44          HG21      THR  44 -14.764  -4.249  -7.836
  300   HG22  THR  44          HG22      THR  44 -14.936  -3.440  -6.279
  301   HG23  THR  44          HG23      THR  44 -13.842  -4.813  -6.443
  302    HA   PRO  45           HA       PRO  45 -12.486  -0.095  -7.215
  303    HB2  PRO  45           HB2      PRO  45 -12.489   2.516  -6.562
  304    HB3  PRO  45           HB1      PRO  45 -13.945   1.716  -7.176
  305    HG2  PRO  45           HG2      PRO  45 -13.195   2.392  -4.354
  306    HG3  PRO  45           HG1      PRO  45 -14.764   2.568  -5.172
  307    HD2  PRO  45           HD2      PRO  45 -14.135   0.476  -3.513
  308    HD3  PRO  45           HD1      PRO  45 -15.321   0.364  -4.826
  309    H    TRP  46           HN       TRP  46 -10.314   0.362  -7.521
  310    HA   TRP  46           HA       TRP  46  -8.621   0.255  -5.185
  311    HB2  TRP  46           HB2      TRP  46  -8.038  -0.929  -7.333
  312    HB3  TRP  46           HB1      TRP  46  -7.787   0.650  -8.074
  313    HD1  TRP  46           HD1      TRP  46  -6.233  -1.748  -5.541
  314    HE1  TRP  46           HE1      TRP  46  -3.809  -1.017  -5.070
  315    HE3  TRP  46           HE3      TRP  46  -6.215   2.698  -8.073
  316    HZ2  TRP  46           HZ2      TRP  46  -2.120   1.152  -5.690
  317    HZ3  TRP  46           HZ3      TRP  46  -4.153   4.041  -8.080
  318    HH2  TRP  46           HH2      TRP  46  -2.150   3.284  -6.912
  319    H    ASN  47           HN       ASN  47  -8.041   1.971  -4.079
  320    HA   ASN  47           HA       ASN  47  -7.361   4.439  -5.417
  321    HB2  ASN  47           HB2      ASN  47  -9.881   4.478  -4.959
  322    HB3  ASN  47           HB1      ASN  47  -9.468   4.511  -3.248
  323   HD21  ASN  47          HD21      ASN  47  -9.473   6.264  -6.234
  324   HD22  ASN  47          HD22      ASN  47  -9.101   7.814  -5.562
  325    H    CYS  48           HN       CYS  48  -5.865   5.578  -4.278
  326    HA   CYS  48           HA       CYS  48  -4.445   4.335  -2.190
  327    HB2  CYS  48           HB2      CYS  48  -3.364   5.915  -3.675
  328    HB3  CYS  48           HB1      CYS  48  -4.458   7.193  -3.173
  329    H    ILE  49           HN       ILE  49  -5.109   4.059  -0.196
  330    HA   ILE  49           HA       ILE  49  -7.379   5.199   0.937
  331    HB   ILE  49           HB       ILE  49  -6.463   4.361   3.141
  332   HG12  ILE  49          HG12      ILE  49  -4.234   3.320   1.370
  333   HG13  ILE  49          HG11      ILE  49  -4.068   4.588   2.579
  334   HG21  ILE  49          HG21      ILE  49  -7.961   3.009   1.839
  335   HG22  ILE  49          HG22      ILE  49  -6.689   1.980   2.498
  336   HG23  ILE  49          HG23      ILE  49  -6.641   2.467   0.804
  337   HD11  ILE  49          HD11      ILE  49  -4.681   2.974   4.319
  338   HD12  ILE  49          HD12      ILE  49  -3.237   2.497   3.427
  339   HD13  ILE  49          HD13      ILE  49  -4.779   1.713   3.089
  340    H    PHE  50           HN       PHE  50  -4.022   6.245   1.155
  341    HA   PHE  50           HA       PHE  50  -4.525   8.142   3.229
  342    HB2  PHE  50           HB2      PHE  50  -2.201   7.657   1.380
  343    HB3  PHE  50           HB1      PHE  50  -2.235   9.063   2.444
  344    HD1  PHE  50           HD1      PHE  50  -2.103   8.812   4.847
  345    HD2  PHE  50           HD2      PHE  50  -1.951   5.417   2.281
  346    HE1  PHE  50           HE1      PHE  50  -1.299   7.440   6.714
  347    HE2  PHE  50           HE2      PHE  50  -1.147   4.040   4.150
  348    HZ   PHE  50           HZ       PHE  50  -0.825   5.057   6.374
  349    H    CYS  51           HN       CYS  51  -4.193   8.393  -0.295
  350    HA   CYS  51           HA       CYS  51  -4.615  11.220  -0.276
  351    HB2  CYS  51           HB2      CYS  51  -4.600   9.178  -2.496
  352    HB3  CYS  51           HB1      CYS  51  -4.933  10.883  -2.782
  353    H    ARG  52           HN       ARG  52  -6.687   8.421  -0.400
  354    HA   ARG  52           HA       ARG  52  -9.041   9.706  -1.273
  355    HB2  ARG  52           HB2      ARG  52  -8.792   7.246  -1.152
  356    HB3  ARG  52           HB1      ARG  52  -8.769   7.345   0.604
  357    HG2  ARG  52           HG2      ARG  52 -10.949   6.647  -0.198
  358    HG3  ARG  52           HG1      ARG  52 -11.050   8.226   0.583
  359    HD2  ARG  52           HD2      ARG  52 -10.970   9.300  -1.628
  360    HD3  ARG  52           HD1      ARG  52 -10.936   7.711  -2.385
  361    HE   ARG  52           HE       ARG  52 -13.177   7.570  -0.925
  362   HH11  ARG  52          HH11      ARG  52 -11.975  10.071  -3.061
  363   HH12  ARG  52          HH12      ARG  52 -13.553  10.573  -3.573
  364   HH21  ARG  52          HH21      ARG  52 -15.255   8.220  -1.595
  365   HH22  ARG  52          HH22      ARG  52 -15.429   9.508  -2.742
  366    H    MET  53           HN       MET  53  -7.517   9.380   1.865
  367    HA   MET  53           HA       MET  53  -9.675  10.733   3.243
  368    HB2  MET  53           HB2      MET  53  -6.933   9.855   4.170
  369    HB3  MET  53           HB1      MET  53  -8.110  10.643   5.206
  370    HG2  MET  53           HG2      MET  53  -9.640   8.797   4.929
  371    HG3  MET  53           HG1      MET  53  -8.528   8.015   3.807
  372    HE1  MET  53           HE1      MET  53  -9.126   9.175   7.495
  373    HE2  MET  53           HE2      MET  53  -7.599   9.971   7.117
  374    HE3  MET  53           HE3      MET  53  -7.641   8.660   8.294
  375    H    LYS  54           HN       LYS  54  -7.246  11.703   1.261
  376    HA   LYS  54           HA       LYS  54  -6.105  13.614   0.840
  377    HB2  LYS  54           HB2      LYS  54  -8.162  14.810   2.706
  378    HB3  LYS  54           HB1      LYS  54  -7.044  15.744   1.722
  379    HG2  LYS  54           HG2      LYS  54  -8.055  14.963  -0.298
  380    HG3  LYS  54           HG1      LYS  54  -9.052  13.809   0.590
  381    HD2  LYS  54           HD2      LYS  54 -10.311  15.818  -0.087
  382    HD3  LYS  54           HD1      LYS  54 -10.252  15.617   1.663
  383    HE2  LYS  54           HE2      LYS  54  -8.446  17.263   1.791
  384    HE3  LYS  54           HE1      LYS  54  -8.494  17.456   0.040
  385    HZ1  LYS  54           HZ1      LYS  54 -10.739  18.298   0.217
  386    HZ2  LYS  54           HZ2      LYS  54  -9.704  19.213   1.193
  387    HZ3  LYS  54           HZ3      LYS  54 -10.732  18.066   1.892
  388    H    GLU  55           HN       GLU  55  -5.381  11.869   3.103
  389    HA   GLU  55           HA       GLU  55  -3.734  13.781   4.596
  390    HB2  GLU  55           HB2      GLU  55  -5.391  11.566   5.811
  391    HB3  GLU  55           HB1      GLU  55  -4.113  12.413   6.666
  392    HG2  GLU  55           HG2      GLU  55  -5.355  14.524   6.360
  393    HG3  GLU  55           HG1      GLU  55  -6.655  13.613   5.595
  394    H    SER  56           HN       SER  56  -1.757  13.246   3.981
  395    HA   SER  56           HA       SER  56  -0.914  10.471   4.351
  396    HB2  SER  56           HB2      SER  56  -1.288  10.956   1.896
  397    HB3  SER  56           HB1      SER  56  -0.018  12.172   2.007
  398    HG   SER  56           HG       SER  56   0.672   9.691   2.995
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1  18.217   3.741 -13.143
    2    H2   GLY   1           HT2      GLY   1  17.037   3.015 -12.178
    3    H3   GLY   1           HT3      GLY   1  18.263   2.076 -12.861
    4    HA2  GLY   1           HA1      GLY   1  18.650   2.474 -10.499
    5    HA3  GLY   1           HA2      GLY   1  19.923   3.136 -11.515
    6    H    ALA   2           HN       ALA   2  19.919   4.187  -9.149
    7    HA   ALA   2           HA       ALA   2  19.777   6.082  -7.910
    8    HB1  ALA   2           HB1      ALA   2  19.199   7.386 -10.569
    9    HB2  ALA   2           HB2      ALA   2  20.803   7.052  -9.918
   10    HB3  ALA   2           HB3      ALA   2  19.743   8.203  -9.104
   11    H    MET   3           HN       MET   3  17.503   4.561  -7.786
   12    HA   MET   3           HA       MET   3  15.405   6.625  -7.636
   13    HB2  MET   3           HB2      MET   3  13.731   5.031  -8.308
   14    HB3  MET   3           HB1      MET   3  14.998   5.062  -9.525
   15    HG2  MET   3           HG2      MET   3  15.947   3.012  -8.570
   16    HG3  MET   3           HG1      MET   3  14.644   2.979  -7.383
   17    HE1  MET   3           HE1      MET   3  12.049   2.960  -8.144
   18    HE2  MET   3           HE2      MET   3  11.514   2.570  -9.776
   19    HE3  MET   3           HE3      MET   3  12.268   4.128  -9.446
   20    H    GLY   4           HN       GLY   4  17.353   4.670  -5.916
   21    HA2  GLY   4           HA2      GLY   4  17.278   4.424  -3.576
   22    HA3  GLY   4           HA1      GLY   4  15.546   4.720  -3.627
   23    H    MET   5           HN       MET   5  15.837   2.806  -2.070
   24    HA   MET   5           HA       MET   5  16.104   0.254  -3.440
   25    HB2  MET   5           HB2      MET   5  15.680   0.968  -0.538
   26    HB3  MET   5           HB1      MET   5  15.748  -0.685  -1.130
   27    HG2  MET   5           HG2      MET   5  17.965   1.329  -1.416
   28    HG3  MET   5           HG1      MET   5  17.874   0.097  -0.160
   29    HE1  MET   5           HE1      MET   5  20.742  -1.250  -2.445
   30    HE2  MET   5           HE2      MET   5  20.266  -0.813  -0.804
   31    HE3  MET   5           HE3      MET   5  20.397   0.433  -2.044
   32    H    ARG   6           HN       ARG   6  14.395  -0.530  -4.459
   33    HA   ARG   6           HA       ARG   6  11.726   0.069  -3.376
   34    HB2  ARG   6           HB2      ARG   6  12.609  -0.554  -6.192
   35    HB3  ARG   6           HB1      ARG   6  10.923  -0.528  -5.699
   36    HG2  ARG   6           HG2      ARG   6  12.812   1.807  -5.473
   37    HG3  ARG   6           HG1      ARG   6  11.668   1.556  -6.791
   38    HD2  ARG   6           HD2      ARG   6  10.653   3.080  -5.277
   39    HD3  ARG   6           HD1      ARG   6   9.839   1.533  -5.070
   40    HE   ARG   6           HE       ARG   6  12.011   2.251  -3.234
   41   HH11  ARG   6          HH11      ARG   6   8.588   1.751  -3.786
   42   HH12  ARG   6          HH12      ARG   6   8.214   1.614  -2.097
   43   HH21  ARG   6          HH21      ARG   6  11.515   2.079  -1.021
   44   HH22  ARG   6          HH22      ARG   6   9.874   1.795  -0.525
   45    H    ASN   7           HN       ASN   7  13.312  -1.934  -2.288
   46    HA   ASN   7           HA       ASN   7  12.110  -4.429  -3.222
   47    HB2  ASN   7           HB2      ASN   7  13.724  -5.555  -1.802
   48    HB3  ASN   7           HB1      ASN   7  14.566  -4.351  -2.767
   49   HD21  ASN   7          HD21      ASN   7  13.783  -5.427   0.385
   50   HD22  ASN   7          HD22      ASN   7  14.616  -4.178   1.257
   51    H    LEU   8           HN       LEU   8  10.517  -5.421  -2.131
   52    HA   LEU   8           HA       LEU   8   9.552  -4.095   0.311
   53    HB2  LEU   8           HB2      LEU   8   7.967  -5.839  -1.569
   54    HB3  LEU   8           HB1      LEU   8   7.344  -4.814  -0.290
   55    HG   LEU   8           HG       LEU   8   8.693  -3.821  -2.802
   56   HD11  LEU   8          HD11      LEU   8   6.465  -3.057  -3.452
   57   HD12  LEU   8          HD12      LEU   8   5.784  -3.847  -2.029
   58   HD13  LEU   8          HD13      LEU   8   6.539  -4.812  -3.297
   59   HD21  LEU   8          HD21      LEU   8   9.023  -2.318  -0.921
   60   HD22  LEU   8          HD22      LEU   8   7.291  -2.329  -0.590
   61   HD23  LEU   8          HD23      LEU   8   7.898  -1.620  -2.086
   62    H    ASP   9           HN       ASP   9  11.072  -5.394   1.540
   63    HA   ASP   9           HA       ASP   9  10.491  -8.260   1.586
   64    HB2  ASP   9           HB2      ASP   9  12.884  -6.675   2.482
   65    HB3  ASP   9           HB1      ASP   9  12.661  -8.372   2.900
   66    H    GLU  10           HN       GLU  10  10.401  -5.401   3.577
   67    HA   GLU  10           HA       GLU  10   9.982  -6.806   6.031
   68    HB2  GLU  10           HB2      GLU  10   9.164  -3.980   5.333
   69    HB3  GLU  10           HB1      GLU  10   9.283  -4.658   6.948
   70    HG2  GLU  10           HG2      GLU  10  11.714  -4.977   6.565
   71    HG3  GLU  10           HG1      GLU  10  11.537  -4.122   5.034
   72    H    CYS  11           HN       CYS  11   7.983  -5.414   3.527
   73    HA   CYS  11           HA       CYS  11   5.492  -6.035   4.750
   74    HB2  CYS  11           HB2      CYS  11   5.829  -4.244   3.090
   75    HB3  CYS  11           HB1      CYS  11   6.161  -5.461   1.868
   76    H    GLU  12           HN       GLU  12   5.318  -8.149   5.256
   77    HA   GLU  12           HA       GLU  12   6.176 -10.299   3.652
   78    HB2  GLU  12           HB2      GLU  12   4.122 -10.258   5.862
   79    HB3  GLU  12           HB1      GLU  12   4.937 -11.689   5.240
   80    HG2  GLU  12           HG2      GLU  12   7.057 -10.894   6.033
   81    HG3  GLU  12           HG1      GLU  12   6.344  -9.359   6.520
   82    H    VAL  13           HN       VAL  13   3.137  -8.595   3.930
   83    HA   VAL  13           HA       VAL  13   1.531 -10.496   2.618
   84    HB   VAL  13           HB       VAL  13   0.547  -8.776   4.011
   85   HG11  VAL  13          HG11      VAL  13   2.062  -6.952   3.496
   86   HG12  VAL  13          HG12      VAL  13   0.380  -6.468   3.286
   87   HG13  VAL  13          HG13      VAL  13   1.375  -6.830   1.877
   88   HG21  VAL  13          HG21      VAL  13  -1.305  -8.090   2.573
   89   HG22  VAL  13          HG22      VAL  13  -0.862  -9.776   2.295
   90   HG23  VAL  13          HG23      VAL  13  -0.361  -8.532   1.151
   91    H    CYS  14           HN       CYS  14   3.538  -7.886   1.335
   92    HA   CYS  14           HA       CYS  14   2.533  -8.035  -1.310
   93    HB2  CYS  14           HB2      CYS  14   4.914  -6.844  -0.028
   94    HB3  CYS  14           HB1      CYS  14   5.052  -7.198  -1.746
   95    H    ARG  15           HN       ARG  15   4.932  -9.869   0.439
   96    HA   ARG  15           HA       ARG  15   5.981 -11.289  -1.782
   97    HB2  ARG  15           HB2      ARG  15   5.835 -11.951   1.149
   98    HB3  ARG  15           HB1      ARG  15   6.581 -13.029  -0.022
   99    HG2  ARG  15           HG2      ARG  15   8.173 -11.257  -0.618
  100    HG3  ARG  15           HG1      ARG  15   7.435 -10.211   0.599
  101    HD2  ARG  15           HD2      ARG  15   8.060 -11.727   2.355
  102    HD3  ARG  15           HD1      ARG  15   8.648 -12.905   1.186
  103    HE   ARG  15           HE       ARG  15  10.160 -10.709   0.673
  104   HH11  ARG  15          HH11      ARG  15   9.431 -12.528   3.567
  105   HH12  ARG  15          HH12      ARG  15  10.958 -12.195   4.320
  106   HH21  ARG  15          HH21      ARG  15  12.195 -10.271   1.660
  107   HH22  ARG  15          HH22      ARG  15  12.516 -10.908   3.248
  108    H    ASP  16           HN       ASP  16   3.250 -11.782   0.354
  109    HA   ASP  16           HA       ASP  16   2.477 -14.309  -0.670
  110    HB2  ASP  16           HB2      ASP  16   1.023 -12.179   0.880
  111    HB3  ASP  16           HB1      ASP  16   0.195 -13.628   0.325
  112    H    GLY  17           HN       GLY  17   2.321 -11.203  -1.987
  113    HA2  GLY  17           HA2      GLY  17   1.691 -10.855  -4.252
  114    HA3  GLY  17           HA1      GLY  17   0.567 -12.201  -4.115
  115    H    GLY  18           HN       GLY  18   0.507 -10.100  -1.447
  116    HA2  GLY  18           HA2      GLY  18  -2.160  -9.285  -1.930
  117    HA3  GLY  18           HA1      GLY  18  -1.094  -8.650  -0.686
  118    H    GLU  19           HN       GLU  19  -3.004  -7.414  -2.690
  119    HA   GLU  19           HA       GLU  19  -1.349  -5.987  -4.531
  120    HB2  GLU  19           HB2      GLU  19  -4.250  -5.613  -3.777
  121    HB3  GLU  19           HB1      GLU  19  -3.441  -4.778  -5.100
  122    HG2  GLU  19           HG2      GLU  19  -2.921  -7.022  -6.078
  123    HG3  GLU  19           HG1      GLU  19  -3.954  -7.729  -4.839
  124    H    LEU  20           HN       LEU  20  -0.958  -3.791  -4.605
  125    HA   LEU  20           HA       LEU  20  -0.592  -2.571  -1.981
  126    HB2  LEU  20           HB2      LEU  20   1.063  -2.819  -4.088
  127    HB3  LEU  20           HB1      LEU  20   0.340  -1.279  -4.494
  128    HG   LEU  20           HG       LEU  20   1.766  -1.854  -1.891
  129   HD11  LEU  20          HD11      LEU  20   3.307  -2.021  -3.760
  130   HD12  LEU  20          HD12      LEU  20   3.604  -0.535  -2.857
  131   HD13  LEU  20          HD13      LEU  20   2.740  -0.475  -4.392
  132   HD21  LEU  20          HD21      LEU  20   0.122  -0.022  -1.777
  133   HD22  LEU  20          HD22      LEU  20   0.916   0.761  -3.144
  134   HD23  LEU  20          HD23      LEU  20   1.777   0.560  -1.618
  135    H    PHE  21           HN       PHE  21  -1.572  -0.627  -1.393
  136    HA   PHE  21           HA       PHE  21  -3.579   0.414  -3.292
  137    HB2  PHE  21           HB2      PHE  21  -3.844   0.140  -0.283
  138    HB3  PHE  21           HB1      PHE  21  -5.040   0.873  -1.347
  139    HD1  PHE  21           HD2      PHE  21  -6.135  -0.573  -3.109
  140    HD2  PHE  21           HD1      PHE  21  -3.804  -2.179   0.074
  141    HE1  PHE  21           HE2      PHE  21  -7.178  -2.772  -3.457
  142    HE2  PHE  21           HE1      PHE  21  -4.848  -4.375  -0.271
  143    HZ   PHE  21           HZ       PHE  21  -6.510  -4.680  -2.058
  144    H    CYS  22           HN       CYS  22  -1.195   1.581  -3.419
  145    HA   CYS  22           HA       CYS  22  -1.627   4.203  -2.247
  146    HB2  CYS  22           HB2      CYS  22   0.760   2.481  -1.578
  147    HB3  CYS  22           HB1      CYS  22   0.788   4.233  -1.414
  148    H    CYS  23           HN       CYS  23  -0.642   5.848  -3.397
  149    HA   CYS  23           HA       CYS  23   0.467   5.391  -5.959
  150    HB2  CYS  23           HB2      CYS  23   1.042   7.876  -4.351
  151    HB3  CYS  23           HB1      CYS  23   0.729   7.728  -6.083
  152    H    ASP  24           HN       ASP  24   2.780   5.954  -6.557
  153    HA   ASP  24           HA       ASP  24   4.570   4.318  -5.212
  154    HB2  ASP  24           HB2      ASP  24   4.910   5.162  -7.523
  155    HB3  ASP  24           HB1      ASP  24   5.294   6.750  -6.866
  156    H    THR  25           HN       THR  25   4.274   7.847  -4.982
  157    HA   THR  25           HA       THR  25   6.305   8.278  -3.108
  158    HB   THR  25           HB       THR  25   3.769   9.894  -3.390
  159    HG1  THR  25           HG1      THR  25   5.948   9.520  -5.081
  160   HG21  THR  25          HG21      THR  25   5.224  11.767  -2.736
  161   HG22  THR  25          HG22      THR  25   6.568  10.643  -2.538
  162   HG23  THR  25          HG23      THR  25   5.159  10.527  -1.484
  163    H    CYS  26           HN       CYS  26   2.822   7.778  -2.631
  164    HA   CYS  26           HA       CYS  26   2.820   8.012   0.172
  165    HB2  CYS  26           HB2      CYS  26   0.924   6.416  -1.566
  166    HB3  CYS  26           HB1      CYS  26   0.596   7.019   0.056
  167    H    SER  27           HN       SER  27   3.409   5.319  -1.984
  168    HA   SER  27           HA       SER  27   3.266   3.250  -0.053
  169    HB2  SER  27           HB2      SER  27   3.077   2.952  -2.534
  170    HB3  SER  27           HB1      SER  27   4.802   3.280  -2.660
  171    HG   SER  27           HG       SER  27   4.694   1.118  -2.541
  172    H    ARG  28           HN       ARG  28   5.869   5.328  -1.207
  173    HA   ARG  28           HA       ARG  28   7.994   3.856  -0.074
  174    HB2  ARG  28           HB2      ARG  28   7.759   6.750  -0.868
  175    HB3  ARG  28           HB1      ARG  28   9.258   6.030  -0.298
  176    HG2  ARG  28           HG2      ARG  28   9.177   4.438  -2.174
  177    HG3  ARG  28           HG1      ARG  28   7.710   5.229  -2.756
  178    HD2  ARG  28           HD2      ARG  28   8.982   7.350  -2.916
  179    HD3  ARG  28           HD1      ARG  28  10.442   6.471  -2.467
  180    HE   ARG  28           HE       ARG  28   8.881   5.847  -4.904
  181   HH11  ARG  28          HH11      ARG  28  11.952   6.420  -3.286
  182   HH12  ARG  28          HH12      ARG  28  12.897   6.103  -4.706
  183   HH21  ARG  28          HH21      ARG  28  10.133   5.454  -6.762
  184   HH22  ARG  28          HH22      ARG  28  11.861   5.611  -6.690
  185    H    VAL  29           HN       VAL  29   5.757   6.146   1.260
  186    HA   VAL  29           HA       VAL  29   7.438   6.549   3.603
  187    HB   VAL  29           HB       VAL  29   4.765   7.828   3.054
  188   HG11  VAL  29          HG11      VAL  29   5.556   9.526   4.627
  189   HG12  VAL  29          HG12      VAL  29   7.042   8.610   4.866
  190   HG13  VAL  29          HG13      VAL  29   5.497   7.930   5.375
  191   HG21  VAL  29          HG21      VAL  29   7.518   8.842   2.362
  192   HG22  VAL  29          HG22      VAL  29   6.021   9.766   2.229
  193   HG23  VAL  29          HG23      VAL  29   6.274   8.343   1.217
  194    H    PHE  30           HN       PHE  30   4.193   5.275   2.803
  195    HA   PHE  30           HA       PHE  30   4.157   4.079   5.502
  196    HB2  PHE  30           HB2      PHE  30   1.749   5.222   4.073
  197    HB3  PHE  30           HB1      PHE  30   1.758   4.473   5.662
  198    HD1  PHE  30           HD2      PHE  30   3.333   5.608   7.425
  199    HD2  PHE  30           HD1      PHE  30   1.865   7.522   3.914
  200    HE1  PHE  30           HE2      PHE  30   3.747   7.804   8.452
  201    HE2  PHE  30           HE1      PHE  30   2.284   9.720   4.936
  202    HZ   PHE  30           HZ       PHE  30   3.133   9.865   7.228
  203    H    HIS  31           HN       HIS  31   5.117   2.579   3.504
  204    HA   HIS  31           HA       HIS  31   3.239   1.171   1.954
  205    HB2  HIS  31           HB2      HIS  31   5.700   1.223   1.544
  206    HB3  HIS  31           HB1      HIS  31   5.911   0.159   2.928
  207    HD1  HIS  31           HD1      HIS  31   4.085   0.097  -0.439
  208    HD2  HIS  31           HD2      HIS  31   5.930  -2.430   2.299
  209    HE1  HIS  31           HE1      HIS  31   4.065  -2.220  -1.469
  210    H    GLU  32           HN       GLU  32   4.614   0.473   5.139
  211    HA   GLU  32           HA       GLU  32   3.604  -2.162   5.324
  212    HB2  GLU  32           HB2      GLU  32   4.413  -0.230   7.507
  213    HB3  GLU  32           HB1      GLU  32   4.144  -1.953   7.737
  214    HG2  GLU  32           HG2      GLU  32   6.004  -2.503   6.348
  215    HG3  GLU  32           HG1      GLU  32   6.191  -0.826   5.842
  216    H    ASP  33           HN       ASP  33   2.436   0.918   6.586
  217    HA   ASP  33           HA       ASP  33   0.026  -0.134   7.681
  218    HB2  ASP  33           HB2      ASP  33   0.847   2.681   6.980
  219    HB3  ASP  33           HB1      ASP  33  -0.687   2.289   7.747
  220    H    CYS  34           HN       CYS  34   0.981   0.838   4.533
  221    HA   CYS  34           HA       CYS  34  -1.431   1.622   3.376
  222    HB2  CYS  34           HB2      CYS  34   0.819   1.807   2.313
  223    HB3  CYS  34           HB1      CYS  34   0.792   0.066   2.047
  224    H    HIS  35           HN       HIS  35  -0.229  -1.549   4.154
  225    HA   HIS  35           HA       HIS  35  -2.363  -2.831   2.619
  226    HB2  HIS  35           HB2      HIS  35  -0.042  -4.049   4.127
  227    HB3  HIS  35           HB1      HIS  35  -1.192  -4.934   3.128
  228    HD1  HIS  35           HD1      HIS  35  -0.617  -5.112   0.645
  229    HD2  HIS  35           HD2      HIS  35   1.621  -2.241   2.647
  230    HE1  HIS  35           HE1      HIS  35   1.230  -4.419  -0.936
  231    H    ILE  36           HN       ILE  36  -2.624  -1.292   5.214
  232    HA   ILE  36           HA       ILE  36  -4.109  -3.377   6.664
  233    HB   ILE  36           HB       ILE  36  -2.649  -1.038   7.909
  234   HG12  ILE  36          HG12      ILE  36  -2.087  -4.011   8.030
  235   HG13  ILE  36          HG11      ILE  36  -1.115  -2.809   7.189
  236   HG21  ILE  36          HG21      ILE  36  -4.236  -3.256   9.198
  237   HG22  ILE  36          HG22      ILE  36  -4.722  -1.565   9.076
  238   HG23  ILE  36          HG23      ILE  36  -3.322  -2.012  10.051
  239   HD11  ILE  36          HD11      ILE  36  -0.574  -1.759   9.328
  240   HD12  ILE  36          HD12      ILE  36  -0.095  -3.454   9.294
  241   HD13  ILE  36          HD13      ILE  36  -1.548  -2.967  10.164
  242    HA   PRO  37           HA       PRO  37  -5.807  -3.870   7.441
  243    HB2  PRO  37           HB2      PRO  37  -8.337  -4.403   6.714
  244    HB3  PRO  37           HB1      PRO  37  -7.972  -3.468   8.174
  245    HG2  PRO  37           HG2      PRO  37  -8.800  -2.498   5.456
  246    HG3  PRO  37           HG1      PRO  37  -9.379  -1.977   7.052
  247    HD2  PRO  37           HD2      PRO  37  -7.496  -0.614   5.616
  248    HD3  PRO  37           HD1      PRO  37  -7.577  -0.591   7.389
  249    HA   PRO  38           HA       PRO  38  -5.013  -5.818   3.492
  250    HB2  PRO  38           HB2      PRO  38  -6.108  -8.298   4.654
  251    HB3  PRO  38           HB1      PRO  38  -4.488  -7.973   4.032
  252    HG2  PRO  38           HG2      PRO  38  -4.955  -8.248   6.663
  253    HG3  PRO  38           HG1      PRO  38  -3.740  -7.114   6.040
  254    HD2  PRO  38           HD2      PRO  38  -6.511  -6.561   7.047
  255    HD3  PRO  38           HD1      PRO  38  -5.013  -5.633   7.293
  256    H    VAL  39           HN       VAL  39  -6.674  -4.738   2.360
  257    HA   VAL  39           HA       VAL  39  -9.296  -6.042   2.285
  258    HB   VAL  39           HB       VAL  39  -9.149  -3.574   2.672
  259   HG11  VAL  39          HG11      VAL  39  -7.274  -3.022   1.275
  260   HG12  VAL  39          HG12      VAL  39  -8.688  -2.108   0.751
  261   HG13  VAL  39          HG13      VAL  39  -8.158  -3.517  -0.167
  262   HG21  VAL  39          HG21      VAL  39 -11.205  -4.533   1.832
  263   HG22  VAL  39          HG22      VAL  39 -10.607  -4.416   0.177
  264   HG23  VAL  39          HG23      VAL  39 -10.928  -2.952   1.103
  265    H    GLU  40           HN       GLU  40  -6.695  -6.926   1.009
  266    HA   GLU  40           HA       GLU  40  -6.968  -6.551  -1.799
  267    HB2  GLU  40           HB2      GLU  40  -5.282  -8.636  -1.687
  268    HB3  GLU  40           HB1      GLU  40  -4.777  -6.975  -1.423
  269    HG2  GLU  40           HG2      GLU  40  -3.812  -8.430   0.244
  270    HG3  GLU  40           HG1      GLU  40  -4.943  -7.309   0.995
  271    H    ALA  41           HN       ALA  41  -8.294  -8.806   0.434
  272    HA   ALA  41           HA       ALA  41  -8.964 -10.778  -1.560
  273    HB1  ALA  41           HB1      ALA  41  -8.614 -11.388   0.802
  274    HB2  ALA  41           HB2      ALA  41 -10.188 -11.896   0.194
  275    HB3  ALA  41           HB3      ALA  41 -10.061 -10.477   1.231
  276    H    GLU  42           HN       GLU  42 -10.125  -7.754  -0.891
  277    HA   GLU  42           HA       GLU  42 -12.891  -8.396  -1.617
  278    HB2  GLU  42           HB2      GLU  42 -11.654  -5.771  -0.767
  279    HB3  GLU  42           HB1      GLU  42 -13.357  -6.031  -1.096
  280    HG2  GLU  42           HG2      GLU  42 -11.767  -7.345   1.093
  281    HG3  GLU  42           HG1      GLU  42 -12.899  -6.009   1.290
  282    H    ARG  43           HN       ARG  43  -9.963  -7.343  -2.959
  283    HA   ARG  43           HA       ARG  43  -9.319  -6.586  -4.988
  284    HB2  ARG  43           HB2      ARG  43 -11.913  -7.904  -5.779
  285    HB3  ARG  43           HB1      ARG  43 -10.727  -7.306  -6.933
  286    HG2  ARG  43           HG2      ARG  43  -9.047  -8.820  -5.904
  287    HG3  ARG  43           HG1      ARG  43 -10.332  -9.485  -4.895
  288    HD2  ARG  43           HD2      ARG  43 -11.537 -10.208  -6.882
  289    HD3  ARG  43           HD1      ARG  43 -10.291  -9.499  -7.909
  290    HE   ARG  43           HE       ARG  43  -9.269 -11.419  -6.035
  291   HH11  ARG  43          HH11      ARG  43 -10.735 -11.011  -9.184
  292   HH12  ARG  43          HH12      ARG  43 -10.079 -12.488  -9.820
  293   HH21  ARG  43          HH21      ARG  43  -8.413 -13.361  -6.862
  294   HH22  ARG  43          HH22      ARG  43  -8.770 -13.831  -8.494
  295    H    THR  44           HN       THR  44  -9.506  -4.433  -4.203
  296    HA   THR  44           HA       THR  44 -11.752  -2.803  -4.471
  297    HB   THR  44           HB       THR  44  -8.870  -1.917  -4.625
  298    HG1  THR  44           HG1      THR  44 -10.550  -2.637  -2.448
  299   HG21  THR  44          HG21      THR  44  -9.706   0.162  -3.642
  300   HG22  THR  44          HG22      THR  44 -11.350  -0.475  -3.660
  301   HG23  THR  44          HG23      THR  44 -10.508  -0.161  -5.178
  302    HA   PRO  45           HA       PRO  45  -8.877  -4.292  -6.110
  303    HB2  PRO  45           HB2      PRO  45  -7.309  -4.551  -8.242
  304    HB3  PRO  45           HB1      PRO  45  -8.935  -5.255  -8.228
  305    HG2  PRO  45           HG2      PRO  45  -7.955  -2.757  -9.555
  306    HG3  PRO  45           HG1      PRO  45  -9.131  -3.956 -10.137
  307    HD2  PRO  45           HD2      PRO  45  -9.751  -1.512  -8.910
  308    HD3  PRO  45           HD1      PRO  45 -10.863  -2.874  -9.138
  309    H    TRP  46           HN       TRP  46  -8.518  -1.062  -7.066
  310    HA   TRP  46           HA       TRP  46  -6.049  -0.839  -5.553
  311    HB2  TRP  46           HB2      TRP  46  -5.338  -1.214  -7.935
  312    HB3  TRP  46           HB1      TRP  46  -6.223   0.242  -8.381
  313    HD1  TRP  46           HD1      TRP  46  -3.041  -0.908  -6.638
  314    HE1  TRP  46           HE1      TRP  46  -1.484   1.110  -6.300
  315    HE3  TRP  46           HE3      TRP  46  -6.224   2.829  -8.090
  316    HZ2  TRP  46           HZ2      TRP  46  -1.588   3.913  -6.604
  317    HZ3  TRP  46           HZ3      TRP  46  -5.411   5.151  -8.037
  318    HH2  TRP  46           HH2      TRP  46  -3.143   5.680  -7.310
  319    H    ASN  47           HN       ASN  47  -6.098   0.913  -4.322
  320    HA   ASN  47           HA       ASN  47  -6.915   3.458  -5.237
  321    HB2  ASN  47           HB2      ASN  47  -9.181   2.563  -4.831
  322    HB3  ASN  47           HB1      ASN  47  -8.728   2.169  -3.177
  323   HD21  ASN  47          HD21      ASN  47  -9.412   4.739  -5.428
  324   HD22  ASN  47          HD22      ASN  47  -9.644   5.979  -4.244
  325    H    CYS  48           HN       CYS  48  -5.737   4.901  -4.130
  326    HA   CYS  48           HA       CYS  48  -4.073   4.004  -1.984
  327    HB2  CYS  48           HB2      CYS  48  -3.339   5.668  -3.678
  328    HB3  CYS  48           HB1      CYS  48  -4.507   6.809  -3.030
  329    H    ILE  49           HN       ILE  49  -5.053   3.563  -0.131
  330    HA   ILE  49           HA       ILE  49  -7.438   4.666   0.795
  331    HB   ILE  49           HB       ILE  49  -6.815   3.725   3.030
  332   HG12  ILE  49          HG12      ILE  49  -4.285   2.902   1.579
  333   HG13  ILE  49          HG11      ILE  49  -4.388   4.043   2.916
  334   HG21  ILE  49          HG21      ILE  49  -8.021   2.378   1.436
  335   HG22  ILE  49          HG22      ILE  49  -6.843   1.373   2.280
  336   HG23  ILE  49          HG23      ILE  49  -6.520   1.916   0.636
  337   HD11  ILE  49          HD11      ILE  49  -4.995   1.100   3.011
  338   HD12  ILE  49          HD12      ILE  49  -5.209   2.221   4.355
  339   HD13  ILE  49          HD13      ILE  49  -3.597   1.919   3.708
  340    H    PHE  50           HN       PHE  50  -4.158   5.790   1.203
  341    HA   PHE  50           HA       PHE  50  -4.797   7.634   3.297
  342    HB2  PHE  50           HB2      PHE  50  -2.400   7.590   1.443
  343    HB3  PHE  50           HB1      PHE  50  -2.548   8.563   2.905
  344    HD1  PHE  50           HD1      PHE  50  -2.938   7.302   5.115
  345    HD2  PHE  50           HD2      PHE  50  -1.511   5.440   1.559
  346    HE1  PHE  50           HE1      PHE  50  -2.061   5.435   6.446
  347    HE2  PHE  50           HE2      PHE  50  -0.634   3.572   2.891
  348    HZ   PHE  50           HZ       PHE  50  -0.908   3.565   5.335
  349    H    CYS  51           HN       CYS  51  -4.234   7.991  -0.211
  350    HA   CYS  51           HA       CYS  51  -4.757  10.771  -0.255
  351    HB2  CYS  51           HB2      CYS  51  -4.707   8.656  -2.387
  352    HB3  CYS  51           HB1      CYS  51  -5.259  10.281  -2.762
  353    H    ARG  52           HN       ARG  52  -6.828   7.982  -0.294
  354    HA   ARG  52           HA       ARG  52  -9.152   9.252  -1.283
  355    HB2  ARG  52           HB2      ARG  52  -8.903   6.820  -1.270
  356    HB3  ARG  52           HB1      ARG  52  -8.874   6.816   0.486
  357    HG2  ARG  52           HG2      ARG  52 -11.161   7.549   0.581
  358    HG3  ARG  52           HG1      ARG  52 -11.209   7.748  -1.171
  359    HD2  ARG  52           HD2      ARG  52 -12.298   5.683  -0.550
  360    HD3  ARG  52           HD1      ARG  52 -10.815   5.337  -1.435
  361    HE   ARG  52           HE       ARG  52 -10.562   5.322   1.450
  362   HH11  ARG  52          HH11      ARG  52 -11.121   3.454  -1.455
  363   HH12  ARG  52          HH12      ARG  52 -10.716   1.940  -0.713
  364   HH21  ARG  52          HH21      ARG  52 -10.027   3.328   2.429
  365   HH22  ARG  52          HH22      ARG  52 -10.093   1.868   1.494
  366    H    MET  53           HN       MET  53  -7.587   9.326   1.788
  367    HA   MET  53           HA       MET  53 -10.029  10.444   3.005
  368    HB2  MET  53           HB2      MET  53  -7.691   9.175   4.445
  369    HB3  MET  53           HB1      MET  53  -9.187   9.739   5.175
  370    HG2  MET  53           HG2      MET  53  -8.858   7.433   3.274
  371    HG3  MET  53           HG1      MET  53  -9.220   7.347   4.996
  372    HE1  MET  53           HE1      MET  53 -11.504   8.185   6.061
  373    HE2  MET  53           HE2      MET  53 -12.848   8.835   5.124
  374    HE3  MET  53           HE3      MET  53 -11.354   9.758   5.278
  375    H    LYS  54           HN       LYS  54  -7.828  11.797   1.438
  376    HA   LYS  54           HA       LYS  54  -6.574  13.466   3.443
  377    HB2  LYS  54           HB2      LYS  54  -6.435  13.442   0.437
  378    HB3  LYS  54           HB1      LYS  54  -5.721  14.735   1.390
  379    HG2  LYS  54           HG2      LYS  54  -4.379  13.040   2.600
  380    HG3  LYS  54           HG1      LYS  54  -5.020  11.810   1.513
  381    HD2  LYS  54           HD2      LYS  54  -4.046  12.969  -0.395
  382    HD3  LYS  54           HD1      LYS  54  -3.446  14.243   0.668
  383    HE2  LYS  54           HE2      LYS  54  -2.638  11.336   0.738
  384    HE3  LYS  54           HE1      LYS  54  -1.670  12.666   0.107
  385    HZ1  LYS  54           HZ1      LYS  54  -0.974  12.081   2.329
  386    HZ2  LYS  54           HZ2      LYS  54  -2.534  12.325   2.929
  387    HZ3  LYS  54           HZ3      LYS  54  -1.645  13.634   2.334
  388    H    GLU  55           HN       GLU  55  -8.752  14.124   0.687
  389    HA   GLU  55           HA       GLU  55 -10.295  15.745   0.328
  390    HB2  GLU  55           HB2      GLU  55 -10.505  15.301   3.276
  391    HB3  GLU  55           HB1      GLU  55 -11.399  16.623   2.545
  392    HG2  GLU  55           HG2      GLU  55 -12.783  14.654   2.781
  393    HG3  GLU  55           HG1      GLU  55 -12.548  15.057   1.084
  394    H    SER  56           HN       SER  56  -8.251  16.956  -0.278
  395    HA   SER  56           HA       SER  56  -8.296  19.500   1.175
  396    HB2  SER  56           HB2      SER  56  -6.236  18.163   1.764
  397    HB3  SER  56           HB1      SER  56  -5.756  18.275   0.073
  398    HG   SER  56           HG       SER  56  -6.118  20.404   1.921
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1  17.267   5.317 -10.424
    2    H2   GLY   1           HT2      GLY   1  18.137   4.903 -11.814
    3    H3   GLY   1           HT3      GLY   1  18.829   4.687 -10.286
    4    HA2  GLY   1           HA1      GLY   1  16.456   3.244 -11.314
    5    HA3  GLY   1           HA2      GLY   1  18.082   2.583 -11.216
    6    H    ALA   2           HN       ALA   2  15.962   1.337  -9.962
    7    HA   ALA   2           HA       ALA   2  16.235   2.078  -7.130
    8    HB1  ALA   2           HB1      ALA   2  14.260   0.202  -8.434
    9    HB2  ALA   2           HB2      ALA   2  13.951   1.885  -8.002
   10    HB3  ALA   2           HB3      ALA   2  14.268   0.695  -6.741
   11    H    MET   3           HN       MET   3  17.281  -0.204  -9.423
   12    HA   MET   3           HA       MET   3  18.588  -2.044  -9.338
   13    HB2  MET   3           HB2      MET   3  18.944  -1.234  -6.457
   14    HB3  MET   3           HB1      MET   3  19.777  -2.596  -7.191
   15    HG2  MET   3           HG2      MET   3  19.995   0.287  -8.009
   16    HG3  MET   3           HG1      MET   3  21.209  -0.661  -7.153
   17    HE1  MET   3           HE1      MET   3  21.931   0.990  -9.711
   18    HE2  MET   3           HE2      MET   3  22.881  -0.166 -10.641
   19    HE3  MET   3           HE3      MET   3  23.097  -0.049  -8.897
   20    H    GLY   4           HN       GLY   4  17.167  -2.260  -6.078
   21    HA2  GLY   4           HA2      GLY   4  16.518  -5.007  -6.374
   22    HA3  GLY   4           HA1      GLY   4  15.923  -3.941  -5.107
   23    H    MET   5           HN       MET   5  14.424  -2.143  -6.249
   24    HA   MET   5           HA       MET   5  12.447  -1.634  -7.215
   25    HB2  MET   5           HB2      MET   5  13.596  -2.293  -9.301
   26    HB3  MET   5           HB1      MET   5  13.032  -3.943  -9.075
   27    HG2  MET   5           HG2      MET   5  10.722  -3.186  -9.262
   28    HG3  MET   5           HG1      MET   5  11.282  -1.526  -9.466
   29    HE1  MET   5           HE1      MET   5   9.292  -2.812 -11.503
   30    HE2  MET   5           HE2      MET   5  10.005  -2.343 -13.045
   31    HE3  MET   5           HE3      MET   5   9.967  -1.197 -11.705
   32    H    ARG   6           HN       ARG   6  10.805  -1.958  -5.903
   33    HA   ARG   6           HA       ARG   6   9.204  -2.936  -4.636
   34    HB2  ARG   6           HB2      ARG   6   9.289  -5.027  -6.820
   35    HB3  ARG   6           HB1      ARG   6   8.036  -4.912  -5.593
   36    HG2  ARG   6           HG2      ARG   6   7.459  -2.665  -6.441
   37    HG3  ARG   6           HG1      ARG   6   8.663  -2.867  -7.714
   38    HD2  ARG   6           HD2      ARG   6   6.254  -4.631  -7.274
   39    HD3  ARG   6           HD1      ARG   6   6.391  -3.369  -8.497
   40    HE   ARG   6           HE       ARG   6   8.527  -5.194  -8.774
   41   HH11  ARG   6          HH11      ARG   6   5.064  -4.983  -9.268
   42   HH12  ARG   6          HH12      ARG   6   5.053  -6.134 -10.564
   43   HH21  ARG   6          HH21      ARG   6   8.508  -6.715 -10.482
   44   HH22  ARG   6          HH22      ARG   6   7.008  -7.120 -11.251
   45    H    ASN   7           HN       ASN   7  11.831  -3.355  -3.914
   46    HA   ASN   7           HA       ASN   7  12.279  -6.091  -3.165
   47    HB2  ASN   7           HB2      ASN   7  14.158  -4.542  -3.565
   48    HB3  ASN   7           HB1      ASN   7  13.623  -3.544  -2.220
   49   HD21  ASN   7          HD21      ASN   7  13.632  -7.061  -2.256
   50   HD22  ASN   7          HD22      ASN   7  14.843  -7.245  -1.037
   51    H    LEU   8           HN       LEU   8  10.403  -6.635  -2.063
   52    HA   LEU   8           HA       LEU   8   9.940  -5.246   0.489
   53    HB2  LEU   8           HB2      LEU   8   7.852  -6.528  -1.267
   54    HB3  LEU   8           HB1      LEU   8   7.571  -5.576   0.179
   55    HG   LEU   8           HG       LEU   8   8.819  -4.473  -2.337
   56   HD11  LEU   8          HD11      LEU   8   5.965  -4.304  -1.395
   57   HD12  LEU   8          HD12      LEU   8   6.552  -5.170  -2.814
   58   HD13  LEU   8          HD13      LEU   8   6.655  -3.411  -2.750
   59   HD21  LEU   8          HD21      LEU   8   7.697  -3.128   0.117
   60   HD22  LEU   8          HD22      LEU   8   8.296  -2.306  -1.324
   61   HD23  LEU   8          HD23      LEU   8   9.401  -3.246  -0.323
   62    H    ASP   9           HN       ASP   9  11.325  -6.833   1.441
   63    HA   ASP   9           HA       ASP   9  10.359  -9.593   1.447
   64    HB2  ASP   9           HB2      ASP   9  12.915  -8.302   2.343
   65    HB3  ASP   9           HB1      ASP   9  12.478  -9.908   2.915
   66    H    GLU  10           HN       GLU  10  10.659  -6.812   3.500
   67    HA   GLU  10           HA       GLU  10  10.066  -8.144   5.943
   68    HB2  GLU  10           HB2      GLU  10   9.875  -5.227   5.179
   69    HB3  GLU  10           HB1      GLU  10   9.679  -5.841   6.814
   70    HG2  GLU  10           HG2      GLU  10  11.953  -6.659   6.813
   71    HG3  GLU  10           HG1      GLU  10  12.160  -6.142   5.142
   72    H    CYS  11           HN       CYS  11   8.170  -6.465   3.518
   73    HA   CYS  11           HA       CYS  11   5.695  -6.668   4.935
   74    HB2  CYS  11           HB2      CYS  11   6.212  -4.925   3.239
   75    HB3  CYS  11           HB1      CYS  11   6.198  -6.167   2.001
   76    H    GLU  12           HN       GLU  12   5.009  -8.653   5.386
   77    HA   GLU  12           HA       GLU  12   5.685 -10.958   3.905
   78    HB2  GLU  12           HB2      GLU  12   5.054 -10.748   6.376
   79    HB3  GLU  12           HB1      GLU  12   3.385 -10.743   5.828
   80    HG2  GLU  12           HG2      GLU  12   4.033 -12.958   6.531
   81    HG3  GLU  12           HG1      GLU  12   3.720 -12.933   4.798
   82    H    VAL  13           HN       VAL  13   2.930  -8.805   3.838
   83    HA   VAL  13           HA       VAL  13   1.247 -10.557   2.365
   84    HB   VAL  13           HB       VAL  13   0.228  -8.832   3.687
   85   HG11  VAL  13          HG11      VAL  13   0.425  -6.484   3.188
   86   HG12  VAL  13          HG12      VAL  13   1.532  -6.833   1.864
   87   HG13  VAL  13          HG13      VAL  13   2.011  -7.169   3.528
   88   HG21  VAL  13          HG21      VAL  13  -1.294  -7.832   2.049
   89   HG22  VAL  13          HG22      VAL  13  -1.003  -9.541   1.715
   90   HG23  VAL  13          HG23      VAL  13  -0.195  -8.303   0.753
   91    H    CYS  14           HN       CYS  14   3.418  -7.894   1.397
   92    HA   CYS  14           HA       CYS  14   2.814  -8.094  -1.368
   93    HB2  CYS  14           HB2      CYS  14   5.076  -6.909   0.187
   94    HB3  CYS  14           HB1      CYS  14   5.224  -7.082  -1.558
   95    H    ARG  15           HN       ARG  15   5.050  -9.710   0.745
   96    HA   ARG  15           HA       ARG  15   6.511 -11.163  -1.167
   97    HB2  ARG  15           HB2      ARG  15   7.125 -10.955   1.216
   98    HB3  ARG  15           HB1      ARG  15   5.748 -11.959   1.645
   99    HG2  ARG  15           HG2      ARG  15   6.746 -13.806   0.343
  100    HG3  ARG  15           HG1      ARG  15   8.165 -12.792   0.057
  101    HD2  ARG  15           HD2      ARG  15   8.417 -12.573   2.521
  102    HD3  ARG  15           HD1      ARG  15   7.105 -13.732   2.714
  103    HE   ARG  15           HE       ARG  15   9.391 -14.599   1.128
  104   HH11  ARG  15          HH11      ARG  15   7.678 -14.653   4.182
  105   HH12  ARG  15          HH12      ARG  15   8.588 -15.992   4.813
  106   HH21  ARG  15          HH21      ARG  15  10.604 -16.351   1.961
  107   HH22  ARG  15          HH22      ARG  15  10.261 -16.953   3.549
  108    H    ASP  16           HN       ASP  16   3.451 -11.761   0.438
  109    HA   ASP  16           HA       ASP  16   2.959 -14.322  -0.677
  110    HB2  ASP  16           HB2      ASP  16   1.798 -13.618   1.319
  111    HB3  ASP  16           HB1      ASP  16   1.110 -12.231   0.490
  112    H    GLY  17           HN       GLY  17   2.946 -11.242  -2.048
  113    HA2  GLY  17           HA2      GLY  17   2.617 -10.883  -4.374
  114    HA3  GLY  17           HA1      GLY  17   1.508 -12.249  -4.399
  115    H    GLY  18           HN       GLY  18   1.067 -10.178  -1.751
  116    HA2  GLY  18           HA2      GLY  18  -1.539  -9.427  -2.467
  117    HA3  GLY  18           HA1      GLY  18  -0.583  -8.702  -1.184
  118    H    GLU  19           HN       GLU  19  -2.394  -7.330  -2.867
  119    HA   GLU  19           HA       GLU  19  -0.723  -5.891  -4.774
  120    HB2  GLU  19           HB2      GLU  19  -3.705  -6.012  -4.338
  121    HB3  GLU  19           HB1      GLU  19  -2.945  -4.906  -5.479
  122    HG2  GLU  19           HG2      GLU  19  -2.059  -6.732  -6.752
  123    HG3  GLU  19           HG1      GLU  19  -2.602  -7.893  -5.546
  124    H    LEU  20           HN       LEU  20  -1.102  -3.518  -4.934
  125    HA   LEU  20           HA       LEU  20  -0.764  -2.403  -2.240
  126    HB2  LEU  20           HB2      LEU  20   1.036  -2.331  -4.097
  127    HB3  LEU  20           HB1      LEU  20   0.031  -1.095  -4.827
  128    HG   LEU  20           HG       LEU  20   0.252   0.243  -2.727
  129   HD11  LEU  20          HD11      LEU  20   2.067  -0.371  -1.185
  130   HD12  LEU  20          HD12      LEU  20   2.268  -1.896  -2.044
  131   HD13  LEU  20          HD13      LEU  20   0.765  -1.558  -1.185
  132   HD21  LEU  20          HD21      LEU  20   2.789  -0.513  -4.179
  133   HD22  LEU  20          HD22      LEU  20   2.590   0.916  -3.167
  134   HD23  LEU  20          HD23      LEU  20   1.645   0.745  -4.646
  135    H    PHE  21           HN       PHE  21  -2.033  -0.724  -1.535
  136    HA   PHE  21           HA       PHE  21  -4.108   0.222  -3.409
  137    HB2  PHE  21           HB2      PHE  21  -4.355  -0.171  -0.408
  138    HB3  PHE  21           HB1      PHE  21  -5.624   0.442  -1.468
  139    HD1  PHE  21           HD2      PHE  21  -6.497  -1.082  -3.303
  140    HD2  PHE  21           HD1      PHE  21  -4.058  -2.479  -0.101
  141    HE1  PHE  21           HE2      PHE  21  -7.271  -3.380  -3.717
  142    HE2  PHE  21           HE1      PHE  21  -4.833  -4.777  -0.512
  143    HZ   PHE  21           HZ       PHE  21  -6.380  -5.238  -2.376
  144    H    CYS  22           HN       CYS  22  -1.642   1.458  -3.227
  145    HA   CYS  22           HA       CYS  22  -2.440   4.122  -2.489
  146    HB2  CYS  22           HB2      CYS  22  -0.446   4.476  -1.013
  147    HB3  CYS  22           HB1      CYS  22  -1.639   3.373  -0.333
  148    H    CYS  23           HN       CYS  23  -0.947   5.728  -3.333
  149    HA   CYS  23           HA       CYS  23   0.200   5.037  -5.817
  150    HB2  CYS  23           HB2      CYS  23   0.945   7.528  -4.306
  151    HB3  CYS  23           HB1      CYS  23   0.712   7.319  -6.043
  152    H    ASP  24           HN       ASP  24   2.528   5.379  -6.422
  153    HA   ASP  24           HA       ASP  24   4.215   3.743  -4.936
  154    HB2  ASP  24           HB2      ASP  24   4.932   5.915  -6.918
  155    HB3  ASP  24           HB1      ASP  24   6.097   4.777  -6.254
  156    H    THR  25           HN       THR  25   4.136   7.292  -5.035
  157    HA   THR  25           HA       THR  25   6.194   7.766  -3.207
  158    HB   THR  25           HB       THR  25   3.737   9.472  -3.635
  159    HG1  THR  25           HG1      THR  25   5.894  10.246  -5.053
  160   HG21  THR  25          HG21      THR  25   6.555  10.203  -2.835
  161   HG22  THR  25          HG22      THR  25   5.165  10.153  -1.752
  162   HG23  THR  25          HG23      THR  25   5.217  11.327  -3.066
  163    H    CYS  26           HN       CYS  26   2.700   7.494  -2.718
  164    HA   CYS  26           HA       CYS  26   2.654   7.961   0.040
  165    HB2  CYS  26           HB2      CYS  26   0.757   6.323  -1.660
  166    HB3  CYS  26           HB1      CYS  26   0.404   6.953  -0.050
  167    H    SER  27           HN       SER  27   3.113   4.995  -1.810
  168    HA   SER  27           HA       SER  27   3.050   3.263   0.457
  169    HB2  SER  27           HB2      SER  27   2.629   2.633  -1.974
  170    HB3  SER  27           HB1      SER  27   4.380   2.680  -2.187
  171    HG   SER  27           HG       SER  27   2.851   0.987  -0.515
  172    H    ARG  28           HN       ARG  28   5.579   4.981  -1.287
  173    HA   ARG  28           HA       ARG  28   7.778   3.584  -0.230
  174    HB2  ARG  28           HB2      ARG  28   7.481   6.338  -1.388
  175    HB3  ARG  28           HB1      ARG  28   9.031   5.735  -0.818
  176    HG2  ARG  28           HG2      ARG  28   9.013   3.971  -2.433
  177    HG3  ARG  28           HG1      ARG  28   7.358   4.359  -2.908
  178    HD2  ARG  28           HD2      ARG  28   8.093   6.532  -3.720
  179    HD3  ARG  28           HD1      ARG  28   9.744   6.174  -3.223
  180    HE   ARG  28           HE       ARG  28   8.876   4.153  -4.961
  181   HH11  ARG  28          HH11      ARG  28   9.624   7.570  -5.024
  182   HH12  ARG  28          HH12      ARG  28  10.178   7.548  -6.669
  183   HH21  ARG  28          HH21      ARG  28   9.576   4.129  -7.132
  184   HH22  ARG  28          HH22      ARG  28  10.148   5.593  -7.868
  185    H    VAL  29           HN       VAL  29   5.813   6.139   1.057
  186    HA   VAL  29           HA       VAL  29   7.662   6.491   3.278
  187    HB   VAL  29           HB       VAL  29   6.091   8.306   4.007
  188   HG11  VAL  29          HG11      VAL  29   8.117   8.780   2.743
  189   HG12  VAL  29          HG12      VAL  29   6.818   9.872   2.265
  190   HG13  VAL  29          HG13      VAL  29   7.250   8.509   1.231
  191   HG21  VAL  29          HG21      VAL  29   4.075   7.488   2.869
  192   HG22  VAL  29          HG22      VAL  29   4.834   7.810   1.310
  193   HG23  VAL  29          HG23      VAL  29   4.464   9.144   2.401
  194    H    PHE  30           HN       PHE  30   4.326   5.394   2.685
  195    HA   PHE  30           HA       PHE  30   4.363   4.247   5.405
  196    HB2  PHE  30           HB2      PHE  30   1.839   5.206   4.051
  197    HB3  PHE  30           HB1      PHE  30   2.061   4.757   5.737
  198    HD1  PHE  30           HD2      PHE  30   4.265   6.247   6.692
  199    HD2  PHE  30           HD1      PHE  30   1.312   7.445   3.863
  200    HE1  PHE  30           HE2      PHE  30   4.663   8.603   7.275
  201    HE2  PHE  30           HE1      PHE  30   1.714   9.802   4.440
  202    HZ   PHE  30           HZ       PHE  30   3.327  10.393   6.136
  203    H    HIS  31           HN       HIS  31   5.292   2.508   3.876
  204    HA   HIS  31           HA       HIS  31   3.563   1.180   2.078
  205    HB2  HIS  31           HB2      HIS  31   6.051   1.060   2.000
  206    HB3  HIS  31           HB1      HIS  31   6.013   0.066   3.451
  207    HD1  HIS  31           HD1      HIS  31   4.622  -0.087  -0.120
  208    HD2  HIS  31           HD2      HIS  31   5.959  -2.556   2.949
  209    HE1  HIS  31           HE1      HIS  31   4.608  -2.450  -1.041
  210    H    GLU  32           HN       GLU  32   4.521   0.460   5.414
  211    HA   GLU  32           HA       GLU  32   3.244  -2.038   5.586
  212    HB2  GLU  32           HB2      GLU  32   3.654  -0.122   7.882
  213    HB3  GLU  32           HB1      GLU  32   3.522  -1.871   7.968
  214    HG2  GLU  32           HG2      GLU  32   5.777  -1.604   8.189
  215    HG3  GLU  32           HG1      GLU  32   5.650  -1.797   6.442
  216    H    ASP  33           HN       ASP  33   2.200   1.170   6.551
  217    HA   ASP  33           HA       ASP  33  -0.368   0.474   7.466
  218    HB2  ASP  33           HB2      ASP  33   0.786   3.075   6.488
  219    HB3  ASP  33           HB1      ASP  33  -0.880   2.943   7.042
  220    H    CYS  34           HN       CYS  34   0.886   0.904   4.285
  221    HA   CYS  34           HA       CYS  34  -1.523   1.540   2.938
  222    HB2  CYS  34           HB2      CYS  34   0.670   1.885   1.907
  223    HB3  CYS  34           HB1      CYS  34   0.969   0.153   1.916
  224    H    HIS  35           HN       HIS  35  -0.325  -1.356   4.313
  225    HA   HIS  35           HA       HIS  35  -2.318  -2.949   2.849
  226    HB2  HIS  35           HB2      HIS  35  -0.015  -3.957   4.530
  227    HB3  HIS  35           HB1      HIS  35  -1.066  -4.914   3.491
  228    HD1  HIS  35           HD1      HIS  35  -0.540  -4.873   0.923
  229    HD2  HIS  35           HD2      HIS  35   1.931  -2.463   3.240
  230    HE1  HIS  35           HE1      HIS  35   1.398  -4.197  -0.560
  231    H    ILE  36           HN       ILE  36  -2.741  -1.100   5.156
  232    HA   ILE  36           HA       ILE  36  -4.041  -3.060   6.927
  233    HB   ILE  36           HB       ILE  36  -2.780  -0.444   7.779
  234   HG12  ILE  36          HG12      ILE  36  -2.045  -3.316   8.393
  235   HG13  ILE  36          HG11      ILE  36  -1.121  -2.192   7.403
  236   HG21  ILE  36          HG21      ILE  36  -3.434  -1.092  10.056
  237   HG22  ILE  36          HG22      ILE  36  -4.280  -2.496   9.405
  238   HG23  ILE  36          HG23      ILE  36  -4.836  -0.870   9.009
  239   HD11  ILE  36          HD11      ILE  36  -0.735  -0.791   9.372
  240   HD12  ILE  36          HD12      ILE  36  -0.128  -2.430   9.596
  241   HD13  ILE  36          HD13      ILE  36  -1.641  -1.939  10.355
  242    HA   PRO  37           HA       PRO  37  -5.693  -3.547   7.885
  243    HB2  PRO  37           HB2      PRO  37  -8.329  -4.073   6.730
  244    HB3  PRO  37           HB1      PRO  37  -7.857  -3.983   8.432
  245    HG2  PRO  37           HG2      PRO  37  -9.421  -2.115   7.258
  246    HG3  PRO  37           HG1      PRO  37  -8.290  -1.725   8.568
  247    HD2  PRO  37           HD2      PRO  37  -7.967  -1.340   5.607
  248    HD3  PRO  37           HD1      PRO  37  -7.550  -0.235   6.938
  249    HA   PRO  38           HA       PRO  38  -4.601  -5.856   4.231
  250    HB2  PRO  38           HB2      PRO  38  -4.234  -8.284   5.348
  251    HB3  PRO  38           HB1      PRO  38  -3.101  -6.951   5.607
  252    HG2  PRO  38           HG2      PRO  38  -5.294  -7.949   7.387
  253    HG3  PRO  38           HG1      PRO  38  -3.643  -7.460   7.816
  254    HD2  PRO  38           HD2      PRO  38  -5.814  -5.836   8.140
  255    HD3  PRO  38           HD1      PRO  38  -4.178  -5.219   7.832
  256    H    VAL  39           HN       VAL  39  -7.037  -5.396   3.775
  257    HA   VAL  39           HA       VAL  39  -8.970  -7.391   4.249
  258    HB   VAL  39           HB       VAL  39  -8.900  -5.408   1.963
  259   HG11  VAL  39          HG11      VAL  39 -11.347  -5.646   1.990
  260   HG12  VAL  39          HG12      VAL  39 -11.196  -6.911   3.209
  261   HG13  VAL  39          HG13      VAL  39 -10.530  -7.158   1.596
  262   HG21  VAL  39          HG21      VAL  39 -10.081  -5.130   4.725
  263   HG22  VAL  39          HG22      VAL  39 -10.284  -3.980   3.406
  264   HG23  VAL  39          HG23      VAL  39  -8.686  -4.257   4.094
  265    H    GLU  40           HN       GLU  40  -6.653  -6.880   1.677
  266    HA   GLU  40           HA       GLU  40  -5.779  -8.224   0.081
  267    HB2  GLU  40           HB2      GLU  40  -7.404 -10.400   1.408
  268    HB3  GLU  40           HB1      GLU  40  -6.228 -10.670   0.130
  269    HG2  GLU  40           HG2      GLU  40  -4.451  -9.826   1.561
  270    HG3  GLU  40           HG1      GLU  40  -5.621  -9.498   2.837
  271    H    ALA  41           HN       ALA  41  -9.214  -8.979   0.569
  272    HA   ALA  41           HA       ALA  41  -9.703  -8.966  -2.291
  273    HB1  ALA  41           HB1      ALA  41 -12.015  -9.411  -1.694
  274    HB2  ALA  41           HB2      ALA  41 -11.665  -9.092   0.003
  275    HB3  ALA  41           HB3      ALA  41 -10.949 -10.491  -0.797
  276    H    GLU  42           HN       GLU  42 -12.167  -7.604  -2.353
  277    HA   GLU  42           HA       GLU  42 -12.990  -5.535  -2.785
  278    HB2  GLU  42           HB2      GLU  42 -11.464  -4.922  -0.255
  279    HB3  GLU  42           HB1      GLU  42 -12.516  -3.760  -1.052
  280    HG2  GLU  42           HG2      GLU  42 -13.329  -6.421   0.093
  281    HG3  GLU  42           HG1      GLU  42 -13.680  -4.831   0.769
  282    H    ARG  43           HN       ARG  43 -11.372  -5.876  -4.618
  283    HA   ARG  43           HA       ARG  43  -9.206  -3.894  -4.500
  284    HB2  ARG  43           HB2      ARG  43  -9.585  -6.301  -6.283
  285    HB3  ARG  43           HB1      ARG  43  -8.287  -5.130  -6.474
  286    HG2  ARG  43           HG2      ARG  43  -7.353  -5.701  -4.363
  287    HG3  ARG  43           HG1      ARG  43  -8.751  -6.694  -3.948
  288    HD2  ARG  43           HD2      ARG  43  -6.866  -7.232  -6.235
  289    HD3  ARG  43           HD1      ARG  43  -6.785  -8.015  -4.658
  290    HE   ARG  43           HE       ARG  43  -9.339  -8.470  -5.501
  291   HH11  ARG  43          HH11      ARG  43  -6.170  -9.054  -6.866
  292   HH12  ARG  43          HH12      ARG  43  -6.664 -10.493  -7.709
  293   HH21  ARG  43          HH21      ARG  43  -9.991 -10.357  -6.609
  294   HH22  ARG  43          HH22      ARG  43  -8.841 -11.229  -7.568
  295    H    THR  44           HN       THR  44 -12.108  -3.465  -5.063
  296    HA   THR  44           HA       THR  44 -11.696  -1.549  -7.127
  297    HB   THR  44           HB       THR  44 -12.089  -3.549  -8.525
  298    HG1  THR  44           HG1      THR  44 -13.222  -2.378  -9.889
  299   HG21  THR  44          HG21      THR  44 -13.535  -4.844  -7.070
  300   HG22  THR  44          HG22      THR  44 -14.344  -4.551  -8.610
  301   HG23  THR  44          HG23      THR  44 -14.793  -3.615  -7.186
  302    HA   PRO  45           HA       PRO  45 -12.511   0.152  -7.904
  303    HB2  PRO  45           HB2      PRO  45 -12.778   2.618  -6.356
  304    HB3  PRO  45           HB1      PRO  45 -13.322   2.275  -8.003
  305    HG2  PRO  45           HG2      PRO  45 -15.053   2.617  -5.943
  306    HG3  PRO  45           HG1      PRO  45 -15.390   1.520  -7.303
  307    HD2  PRO  45           HD2      PRO  45 -14.372   0.870  -4.549
  308    HD3  PRO  45           HD1      PRO  45 -15.611   0.037  -5.516
  309    H    TRP  46           HN       TRP  46 -10.372   1.034  -7.895
  310    HA   TRP  46           HA       TRP  46  -8.864   0.371  -5.508
  311    HB2  TRP  46           HB2      TRP  46  -7.988  -0.248  -7.749
  312    HB3  TRP  46           HB1      TRP  46  -7.919   1.458  -8.180
  313    HD1  TRP  46           HD1      TRP  46  -6.163  -1.141  -5.985
  314    HE1  TRP  46           HE1      TRP  46  -3.845  -0.236  -5.325
  315    HE3  TRP  46           HE3      TRP  46  -6.601   3.610  -7.834
  316    HZ2  TRP  46           HZ2      TRP  46  -2.398   2.186  -5.561
  317    HZ3  TRP  46           HZ3      TRP  46  -4.706   5.155  -7.576
  318    HH2  TRP  46           HH2      TRP  46  -2.652   4.457  -6.463
  319    H    ASN  47           HN       ASN  47  -8.154   1.832  -4.034
  320    HA   ASN  47           HA       ASN  47  -8.258   4.673  -4.697
  321    HB2  ASN  47           HB2      ASN  47 -10.515   3.976  -3.882
  322    HB3  ASN  47           HB1      ASN  47  -9.776   3.472  -2.369
  323   HD21  ASN  47          HD21      ASN  47 -11.013   4.891  -1.183
  324   HD22  ASN  47          HD22      ASN  47 -10.741   6.603  -1.202
  325    H    CYS  48           HN       CYS  48  -6.625   5.764  -3.757
  326    HA   CYS  48           HA       CYS  48  -4.845   4.408  -1.936
  327    HB2  CYS  48           HB2      CYS  48  -3.893   5.866  -3.646
  328    HB3  CYS  48           HB1      CYS  48  -4.814   7.232  -3.035
  329    H    ILE  49           HN       ILE  49  -5.514   4.175   0.070
  330    HA   ILE  49           HA       ILE  49  -7.442   5.695   1.368
  331    HB   ILE  49           HB       ILE  49  -6.551   4.683   3.499
  332   HG12  ILE  49          HG12      ILE  49  -4.622   3.327   1.592
  333   HG13  ILE  49          HG11      ILE  49  -4.186   4.497   2.833
  334   HG21  ILE  49          HG21      ILE  49  -7.225   2.392   2.886
  335   HG22  ILE  49          HG22      ILE  49  -7.137   2.836   1.182
  336   HG23  ILE  49          HG23      ILE  49  -8.318   3.613   2.236
  337   HD11  ILE  49          HD11      ILE  49  -5.383   1.779   3.309
  338   HD12  ILE  49          HD12      ILE  49  -4.944   2.948   4.555
  339   HD13  ILE  49          HD13      ILE  49  -3.695   2.231   3.537
  340    H    PHE  50           HN       PHE  50  -3.961   6.186   1.236
  341    HA   PHE  50           HA       PHE  50  -3.897   8.053   3.395
  342    HB2  PHE  50           HB2      PHE  50  -1.878   7.728   1.165
  343    HB3  PHE  50           HB1      PHE  50  -1.610   8.522   2.715
  344    HD1  PHE  50           HD1      PHE  50  -2.147   6.988   4.815
  345    HD2  PHE  50           HD2      PHE  50  -1.156   5.570   0.927
  346    HE1  PHE  50           HE1      PHE  50  -1.431   4.852   5.783
  347    HE2  PHE  50           HE2      PHE  50  -0.441   3.433   1.889
  348    HZ   PHE  50           HZ       PHE  50  -0.576   3.066   4.317
  349    H    CYS  51           HN       CYS  51  -3.952   8.400  -0.139
  350    HA   CYS  51           HA       CYS  51  -3.718  11.187  -0.212
  351    HB2  CYS  51           HB2      CYS  51  -4.768   9.134  -2.111
  352    HB3  CYS  51           HB1      CYS  51  -5.151  10.821  -2.427
  353    H    ARG  52           HN       ARG  52  -6.498   9.120   0.332
  354    HA   ARG  52           HA       ARG  52  -8.367  11.286   0.004
  355    HB2  ARG  52           HB2      ARG  52  -8.867   8.511   1.075
  356    HB3  ARG  52           HB1      ARG  52 -10.078   9.654   0.508
  357    HG2  ARG  52           HG2      ARG  52  -7.947   8.335  -1.160
  358    HG3  ARG  52           HG1      ARG  52  -9.664   7.947  -1.158
  359    HD2  ARG  52           HD2      ARG  52 -10.167  10.204  -1.987
  360    HD3  ARG  52           HD1      ARG  52  -8.442  10.577  -1.995
  361    HE   ARG  52           HE       ARG  52  -9.151   8.243  -3.534
  362   HH11  ARG  52          HH11      ARG  52  -8.778  11.732  -3.613
  363   HH12  ARG  52          HH12      ARG  52  -8.535  11.787  -5.328
  364   HH21  ARG  52          HH21      ARG  52  -8.842   8.331  -5.794
  365   HH22  ARG  52          HH22      ARG  52  -8.586   9.863  -6.565
  366    H    MET  53           HN       MET  53  -6.392  10.245   2.527
  367    HA   MET  53           HA       MET  53  -8.093  10.840   4.730
  368    HB2  MET  53           HB2      MET  53  -5.077  10.816   4.522
  369    HB3  MET  53           HB1      MET  53  -5.945  11.081   6.025
  370    HG2  MET  53           HG2      MET  53  -6.961   8.871   5.828
  371    HG3  MET  53           HG1      MET  53  -6.090   8.605   4.320
  372    HE1  MET  53           HE1      MET  53  -4.135   8.924   8.489
  373    HE2  MET  53           HE2      MET  53  -5.873   8.943   8.193
  374    HE3  MET  53           HE3      MET  53  -4.878  10.311   7.695
  375    H    LYS  54           HN       LYS  54  -6.258  12.751   2.532
  376    HA   LYS  54           HA       LYS  54  -6.069  15.124   4.080
  377    HB2  LYS  54           HB2      LYS  54  -6.145  14.850   1.073
  378    HB3  LYS  54           HB1      LYS  54  -5.573  16.245   1.970
  379    HG2  LYS  54           HG2      LYS  54  -3.770  14.873   2.923
  380    HG3  LYS  54           HG1      LYS  54  -4.320  13.508   1.953
  381    HD2  LYS  54           HD2      LYS  54  -3.560  16.142   0.718
  382    HD3  LYS  54           HD1      LYS  54  -2.362  14.897   1.056
  383    HE2  LYS  54           HE2      LYS  54  -3.004  14.666  -1.225
  384    HE3  LYS  54           HE1      LYS  54  -3.724  13.325  -0.342
  385    HZ1  LYS  54           HZ1      LYS  54  -5.194  15.812  -1.021
  386    HZ2  LYS  54           HZ2      LYS  54  -5.843  14.365  -0.432
  387    HZ3  LYS  54           HZ3      LYS  54  -5.202  14.429  -1.991
  388    H    GLU  55           HN       GLU  55  -8.648  13.621   2.405
  389    HA   GLU  55           HA       GLU  55 -10.075  16.026   1.762
  390    HB2  GLU  55           HB2      GLU  55 -11.215  13.236   1.823
  391    HB3  GLU  55           HB1      GLU  55 -11.779  14.610   0.887
  392    HG2  GLU  55           HG2      GLU  55  -9.265  13.021   0.465
  393    HG3  GLU  55           HG1      GLU  55 -10.677  13.095  -0.585
  394    H    SER  56           HN       SER  56 -11.237  17.161   3.139
  395    HA   SER  56           HA       SER  56 -12.665  15.763   5.281
  396    HB2  SER  56           HB2      SER  56 -11.142  18.363   5.614
  397    HB3  SER  56           HB1      SER  56 -12.135  17.587   6.848
  398    HG   SER  56           HG       SER  56 -10.544  15.709   6.134
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1  14.281   1.385 -15.070
    2    H2   GLY   1           HT2      GLY   1  12.617   1.228 -14.828
    3    H3   GLY   1           HT3      GLY   1  13.294   0.837 -16.327
    4    HA2  GLY   1           HA1      GLY   1  12.770  -1.164 -15.112
    5    HA3  GLY   1           HA2      GLY   1  14.503  -1.000 -15.351
    6    H    ALA   2           HN       ALA   2  15.180   0.811 -13.390
    7    HA   ALA   2           HA       ALA   2  15.327  -0.935 -11.151
    8    HB1  ALA   2           HB1      ALA   2  16.643   0.827 -10.109
    9    HB2  ALA   2           HB2      ALA   2  16.148   1.959 -11.369
   10    HB3  ALA   2           HB3      ALA   2  17.153   0.569 -11.778
   11    H    MET   3           HN       MET   3  13.230   1.719 -11.976
   12    HA   MET   3           HA       MET   3  12.316   2.156  -9.283
   13    HB2  MET   3           HB2      MET   3  11.274   3.087 -11.956
   14    HB3  MET   3           HB1      MET   3  10.510   3.506 -10.430
   15    HG2  MET   3           HG2      MET   3  12.580   4.574  -9.690
   16    HG3  MET   3           HG1      MET   3  13.334   4.168 -11.228
   17    HE1  MET   3           HE1      MET   3  13.283   7.063 -10.004
   18    HE2  MET   3           HE2      MET   3  12.848   8.059 -11.391
   19    HE3  MET   3           HE3      MET   3  14.004   6.740 -11.580
   20    H    GLY   4           HN       GLY   4  11.694  -0.153 -11.664
   21    HA2  GLY   4           HA2      GLY   4   9.067  -0.844 -10.586
   22    HA3  GLY   4           HA1      GLY   4   9.868  -1.622 -11.948
   23    H    MET   5           HN       MET   5  12.090  -1.227  -9.550
   24    HA   MET   5           HA       MET   5  11.640  -3.953  -8.542
   25    HB2  MET   5           HB2      MET   5  13.714  -3.742  -9.806
   26    HB3  MET   5           HB1      MET   5  14.215  -2.386  -8.806
   27    HG2  MET   5           HG2      MET   5  15.358  -4.441  -8.174
   28    HG3  MET   5           HG1      MET   5  14.347  -3.834  -6.864
   29    HE1  MET   5           HE1      MET   5  14.013  -7.641  -6.260
   30    HE2  MET   5           HE2      MET   5  14.308  -6.064  -5.531
   31    HE3  MET   5           HE3      MET   5  15.451  -6.723  -6.700
   32    H    ARG   6           HN       ARG   6  10.575  -3.736  -6.675
   33    HA   ARG   6           HA       ARG   6  11.467  -1.685  -4.786
   34    HB2  ARG   6           HB2      ARG   6   8.912  -3.275  -4.973
   35    HB3  ARG   6           HB1      ARG   6   9.317  -2.282  -3.580
   36    HG2  ARG   6           HG2      ARG   6   9.379  -0.301  -4.975
   37    HG3  ARG   6           HG1      ARG   6   9.052  -1.277  -6.407
   38    HD2  ARG   6           HD2      ARG   6   6.877  -1.855  -5.593
   39    HD3  ARG   6           HD1      ARG   6   7.206  -1.105  -4.033
   40    HE   ARG   6           HE       ARG   6   7.517   0.953  -5.725
   41   HH11  ARG   6          HH11      ARG   6   4.972  -1.428  -5.428
   42   HH12  ARG   6          HH12      ARG   6   3.719  -0.341  -5.935
   43   HH21  ARG   6          HH21      ARG   6   5.883   2.398  -6.395
   44   HH22  ARG   6          HH22      ARG   6   4.234   1.840  -6.475
   45    H    ASN   7           HN       ASN   7  12.943  -2.350  -3.402
   46    HA   ASN   7           HA       ASN   7  13.255  -5.114  -2.669
   47    HB2  ASN   7           HB2      ASN   7  15.222  -3.668  -2.876
   48    HB3  ASN   7           HB1      ASN   7  14.603  -2.615  -1.611
   49   HD21  ASN   7          HD21      ASN   7  14.426  -6.129  -1.502
   50   HD22  ASN   7          HD22      ASN   7  15.545  -6.319  -0.200
   51    H    LEU   8           HN       LEU   8  11.549  -5.852  -1.554
   52    HA   LEU   8           HA       LEU   8  10.828  -4.493   0.948
   53    HB2  LEU   8           HB2      LEU   8   8.901  -5.739  -1.007
   54    HB3  LEU   8           HB1      LEU   8   8.480  -4.968   0.510
   55    HG   LEU   8           HG       LEU   8   9.797  -3.509  -1.774
   56   HD11  LEU   8          HD11      LEU   8   6.878  -3.704  -1.066
   57   HD12  LEU   8          HD12      LEU   8   7.653  -4.320  -2.527
   58   HD13  LEU   8          HD13      LEU   8   7.573  -2.583  -2.237
   59   HD21  LEU   8          HD21      LEU   8   8.361  -2.541   0.695
   60   HD22  LEU   8          HD22      LEU   8   9.012  -1.519  -0.587
   61   HD23  LEU   8          HD23      LEU   8  10.101  -2.482   0.413
   62    H    ASP   9           HN       ASP   9  11.922  -5.977   2.211
   63    HA   ASP   9           HA       ASP   9  11.256  -8.812   1.864
   64    HB2  ASP   9           HB2      ASP   9  13.228  -9.361   3.019
   65    HB3  ASP   9           HB1      ASP   9  13.686  -7.966   2.048
   66    H    GLU  10           HN       GLU  10  10.816  -6.125   3.993
   67    HA   GLU  10           HA       GLU  10  10.173  -7.697   6.305
   68    HB2  GLU  10           HB2      GLU  10  11.165  -5.498   6.580
   69    HB3  GLU  10           HB1      GLU  10   9.825  -4.754   5.731
   70    HG2  GLU  10           HG2      GLU  10   8.311  -5.406   7.516
   71    HG3  GLU  10           HG1      GLU  10   9.641  -6.194   8.364
   72    H    CYS  11           HN       CYS  11   8.379  -5.906   3.860
   73    HA   CYS  11           HA       CYS  11   5.824  -6.362   4.959
   74    HB2  CYS  11           HB2      CYS  11   6.374  -4.602   3.296
   75    HB3  CYS  11           HB1      CYS  11   6.575  -5.858   2.085
   76    H    GLU  12           HN       GLU  12   5.458  -8.440   5.464
   77    HA   GLU  12           HA       GLU  12   6.075 -10.717   3.989
   78    HB2  GLU  12           HB2      GLU  12   5.444 -10.716   6.361
   79    HB3  GLU  12           HB1      GLU  12   3.807 -10.250   5.925
   80    HG2  GLU  12           HG2      GLU  12   3.690 -12.391   4.598
   81    HG3  GLU  12           HG1      GLU  12   5.194 -12.852   5.396
   82    H    VAL  13           HN       VAL  13   3.160  -8.745   4.023
   83    HA   VAL  13           HA       VAL  13   1.551 -10.472   2.524
   84    HB   VAL  13           HB       VAL  13   0.522  -8.784   3.857
   85   HG11  VAL  13          HG11      VAL  13   0.709  -6.412   3.381
   86   HG12  VAL  13          HG12      VAL  13   1.852  -6.754   2.084
   87   HG13  VAL  13          HG13      VAL  13   2.279  -7.114   3.757
   88   HG21  VAL  13          HG21      VAL  13  -1.050  -7.785   2.309
   89   HG22  VAL  13          HG22      VAL  13  -0.689  -9.442   1.821
   90   HG23  VAL  13          HG23      VAL  13   0.051  -8.088   0.966
   91    H    CYS  14           HN       CYS  14   3.825  -7.991   1.473
   92    HA   CYS  14           HA       CYS  14   3.010  -7.983  -1.237
   93    HB2  CYS  14           HB2      CYS  14   5.351  -6.993   0.262
   94    HB3  CYS  14           HB1      CYS  14   5.618  -7.326  -1.446
   95    H    ARG  15           HN       ARG  15   5.011 -10.129   0.621
   96    HA   ARG  15           HA       ARG  15   6.272 -11.498  -1.510
   97    HB2  ARG  15           HB2      ARG  15   5.386 -12.600   1.157
   98    HB3  ARG  15           HB1      ARG  15   6.518 -13.370   0.060
   99    HG2  ARG  15           HG2      ARG  15   8.081 -11.507   0.389
  100    HG3  ARG  15           HG1      ARG  15   6.943 -10.776   1.528
  101    HD2  ARG  15           HD2      ARG  15   7.049 -12.854   2.881
  102    HD3  ARG  15           HD1      ARG  15   8.280 -13.464   1.781
  103    HE   ARG  15           HE       ARG  15   8.940 -10.921   2.974
  104   HH11  ARG  15          HH11      ARG  15   9.058 -14.405   3.314
  105   HH12  ARG  15          HH12      ARG  15  10.397 -14.381   4.415
  106   HH21  ARG  15          HH21      ARG  15  10.693 -10.884   4.457
  107   HH22  ARG  15          HH22      ARG  15  11.320 -12.384   5.070
  108    H    ASP  16           HN       ASP  16   3.169 -11.820   0.074
  109    HA   ASP  16           HA       ASP  16   2.383 -14.128  -1.456
  110    HB2  ASP  16           HB2      ASP  16   0.849 -12.315   0.413
  111    HB3  ASP  16           HB1      ASP  16   0.169 -13.753  -0.340
  112    H    GLY  17           HN       GLY  17   2.794 -11.059  -2.347
  113    HA2  GLY  17           HA2      GLY  17   2.151  -9.932  -4.250
  114    HA3  GLY  17           HA1      GLY  17   1.149 -11.317  -4.668
  115    H    GLY  18           HN       GLY  18   0.801  -9.743  -1.595
  116    HA2  GLY  18           HA2      GLY  18  -1.941  -9.263  -1.903
  117    HA3  GLY  18           HA1      GLY  18  -0.917  -8.546  -0.673
  118    H    GLU  19           HN       GLU  19  -3.142  -7.450  -2.289
  119    HA   GLU  19           HA       GLU  19  -2.205  -5.665  -4.236
  120    HB2  GLU  19           HB2      GLU  19  -4.679  -5.860  -2.580
  121    HB3  GLU  19           HB1      GLU  19  -4.378  -4.378  -3.475
  122    HG2  GLU  19           HG2      GLU  19  -5.818  -5.920  -4.697
  123    HG3  GLU  19           HG1      GLU  19  -4.314  -5.606  -5.556
  124    H    LEU  20           HN       LEU  20  -1.617  -3.556  -4.186
  125    HA   LEU  20           HA       LEU  20  -0.994  -2.413  -1.542
  126    HB2  LEU  20           HB2      LEU  20   0.839  -3.077  -3.276
  127    HB3  LEU  20           HB1      LEU  20   0.325  -1.640  -4.131
  128    HG   LEU  20           HG       LEU  20   1.299  -1.586  -1.275
  129   HD11  LEU  20          HD11      LEU  20   3.445  -0.832  -2.192
  130   HD12  LEU  20          HD12      LEU  20   2.849  -1.128  -3.825
  131   HD13  LEU  20          HD13      LEU  20   3.058  -2.475  -2.708
  132   HD21  LEU  20          HD21      LEU  20   1.062   0.586  -3.363
  133   HD22  LEU  20          HD22      LEU  20   1.646   0.782  -1.711
  134   HD23  LEU  20          HD23      LEU  20  -0.039   0.350  -2.004
  135    H    PHE  21           HN       PHE  21  -2.181  -0.626  -1.049
  136    HA   PHE  21           HA       PHE  21  -3.779   0.528  -3.241
  137    HB2  PHE  21           HB2      PHE  21  -4.377   0.647  -0.276
  138    HB3  PHE  21           HB1      PHE  21  -5.462   1.069  -1.598
  139    HD1  PHE  21           HD2      PHE  21  -6.030  -0.865  -3.261
  140    HD2  PHE  21           HD1      PHE  21  -4.495  -1.450   0.673
  141    HE1  PHE  21           HE2      PHE  21  -6.894  -3.166  -3.264
  142    HE2  PHE  21           HE1      PHE  21  -5.354  -3.752   0.669
  143    HZ   PHE  21           HZ       PHE  21  -6.556  -4.612  -1.297
  144    H    CYS  22           HN       CYS  22  -1.402   1.643  -3.292
  145    HA   CYS  22           HA       CYS  22  -1.812   4.309  -2.191
  146    HB2  CYS  22           HB2      CYS  22   0.584   2.590  -1.528
  147    HB3  CYS  22           HB1      CYS  22   0.549   4.333  -1.294
  148    H    CYS  23           HN       CYS  23  -0.751   5.929  -3.327
  149    HA   CYS  23           HA       CYS  23   0.314   5.476  -5.898
  150    HB2  CYS  23           HB2      CYS  23   1.098   7.845  -4.198
  151    HB3  CYS  23           HB1      CYS  23   0.825   7.787  -5.937
  152    H    ASP  24           HN       ASP  24   2.663   5.873  -6.519
  153    HA   ASP  24           HA       ASP  24   4.338   4.079  -5.214
  154    HB2  ASP  24           HB2      ASP  24   4.773   4.824  -7.501
  155    HB3  ASP  24           HB1      ASP  24   5.138   6.446  -6.920
  156    H    THR  25           HN       THR  25   4.302   7.610  -4.961
  157    HA   THR  25           HA       THR  25   6.368   7.909  -3.105
  158    HB   THR  25           HB       THR  25   5.076  10.060  -2.514
  159    HG1  THR  25           HG1      THR  25   3.226  10.417  -3.548
  160   HG21  THR  25          HG21      THR  25   5.822   9.525  -5.394
  161   HG22  THR  25          HG22      THR  25   6.939   9.990  -4.112
  162   HG23  THR  25          HG23      THR  25   5.686  11.113  -4.639
  163    H    CYS  26           HN       CYS  26   2.873   7.651  -2.599
  164    HA   CYS  26           HA       CYS  26   2.904   7.843   0.206
  165    HB2  CYS  26           HB2      CYS  26   0.893   6.411  -1.545
  166    HB3  CYS  26           HB1      CYS  26   0.620   6.982   0.098
  167    H    SER  27           HN       SER  27   3.259   5.132  -1.979
  168    HA   SER  27           HA       SER  27   3.016   3.051  -0.075
  169    HB2  SER  27           HB2      SER  27   2.765   2.674  -2.489
  170    HB3  SER  27           HB1      SER  27   4.452   3.113  -2.744
  171    HG   SER  27           HG       SER  27   4.504   0.953  -2.631
  172    H    ARG  28           HN       ARG  28   5.738   4.959  -1.237
  173    HA   ARG  28           HA       ARG  28   7.736   3.293  -0.088
  174    HB2  ARG  28           HB2      ARG  28   7.756   6.099  -1.169
  175    HB3  ARG  28           HB1      ARG  28   9.201   5.327  -0.526
  176    HG2  ARG  28           HG2      ARG  28   9.236   3.718  -2.228
  177    HG3  ARG  28           HG1      ARG  28   7.566   4.047  -2.692
  178    HD2  ARG  28           HD2      ARG  28   9.112   4.967  -4.324
  179    HD3  ARG  28           HD1      ARG  28   8.227   6.252  -3.505
  180    HE   ARG  28           HE       ARG  28  10.761   5.693  -2.286
  181   HH11  ARG  28          HH11      ARG  28   9.178   7.372  -4.903
  182   HH12  ARG  28          HH12      ARG  28  10.394   8.602  -5.039
  183   HH21  ARG  28          HH21      ARG  28  12.389   7.306  -2.454
  184   HH22  ARG  28          HH22      ARG  28  12.226   8.563  -3.639
  185    H    VAL  29           HN       VAL  29   5.847   5.963   1.066
  186    HA   VAL  29           HA       VAL  29   7.574   6.367   3.362
  187    HB   VAL  29           HB       VAL  29   4.972   7.752   2.717
  188   HG11  VAL  29          HG11      VAL  29   7.202   8.516   4.595
  189   HG12  VAL  29          HG12      VAL  29   5.629   7.882   5.073
  190   HG13  VAL  29          HG13      VAL  29   5.743   9.453   4.278
  191   HG21  VAL  29          HG21      VAL  29   6.599   8.117   0.942
  192   HG22  VAL  29          HG22      VAL  29   7.803   8.606   2.135
  193   HG23  VAL  29          HG23      VAL  29   6.362   9.589   1.885
  194    H    PHE  30           HN       PHE  30   4.278   5.195   2.694
  195    HA   PHE  30           HA       PHE  30   4.176   4.252   5.496
  196    HB2  PHE  30           HB2      PHE  30   1.768   5.026   3.840
  197    HB3  PHE  30           HB1      PHE  30   1.800   4.624   5.552
  198    HD1  PHE  30           HD2      PHE  30   3.293   6.211   7.035
  199    HD2  PHE  30           HD1      PHE  30   1.720   7.232   3.212
  200    HE1  PHE  30           HE2      PHE  30   3.509   8.600   7.585
  201    HE2  PHE  30           HE1      PHE  30   1.934   9.619   3.755
  202    HZ   PHE  30           HZ       PHE  30   2.827  10.303   5.944
  203    H    HIS  31           HN       HIS  31   5.301   2.573   3.731
  204    HA   HIS  31           HA       HIS  31   3.604   1.055   2.113
  205    HB2  HIS  31           HB2      HIS  31   6.127   1.111   2.043
  206    HB3  HIS  31           HB1      HIS  31   6.116   0.036   3.435
  207    HD1  HIS  31           HD1      HIS  31   4.603   0.014  -0.094
  208    HD2  HIS  31           HD2      HIS  31   6.285  -2.531   2.737
  209    HE1  HIS  31           HE1      HIS  31   4.717  -2.282  -1.165
  210    H    GLU  32           HN       GLU  32   4.705   0.421   5.436
  211    HA   GLU  32           HA       GLU  32   3.533  -2.151   5.584
  212    HB2  GLU  32           HB2      GLU  32   4.414  -0.218   7.722
  213    HB3  GLU  32           HB1      GLU  32   3.823  -1.838   8.073
  214    HG2  GLU  32           HG2      GLU  32   6.235  -1.150   6.409
  215    HG3  GLU  32           HG1      GLU  32   6.245  -1.786   8.053
  216    H    ASP  33           HN       ASP  33   2.457   1.027   6.584
  217    HA   ASP  33           HA       ASP  33   0.013   0.170   7.753
  218    HB2  ASP  33           HB2      ASP  33   0.828   2.891   6.726
  219    HB3  ASP  33           HB1      ASP  33  -0.595   2.569   7.710
  220    H    CYS  34           HN       CYS  34   1.024   0.846   4.533
  221    HA   CYS  34           HA       CYS  34  -1.455   1.530   3.381
  222    HB2  CYS  34           HB2      CYS  34   0.786   1.871   2.309
  223    HB3  CYS  34           HB1      CYS  34   0.861   0.135   2.030
  224    H    HIS  35           HN       HIS  35   0.042  -1.536   4.121
  225    HA   HIS  35           HA       HIS  35  -1.975  -3.003   2.618
  226    HB2  HIS  35           HB2      HIS  35   0.352  -4.003   4.265
  227    HB3  HIS  35           HB1      HIS  35  -0.709  -5.008   3.285
  228    HD1  HIS  35           HD1      HIS  35  -0.200  -5.108   0.742
  229    HD2  HIS  35           HD2      HIS  35   2.111  -2.360   2.831
  230    HE1  HIS  35           HE1      HIS  35   1.708  -4.469  -0.793
  231    H    ILE  36           HN       ILE  36  -2.707  -1.410   4.966
  232    HA   ILE  36           HA       ILE  36  -4.041  -3.564   6.458
  233    HB   ILE  36           HB       ILE  36  -3.002  -0.991   7.668
  234   HG12  ILE  36          HG12      ILE  36  -2.118  -3.856   8.078
  235   HG13  ILE  36          HG11      ILE  36  -1.210  -2.611   7.231
  236   HG21  ILE  36          HG21      ILE  36  -3.779  -1.919   9.799
  237   HG22  ILE  36          HG22      ILE  36  -4.457  -3.304   8.944
  238   HG23  ILE  36          HG23      ILE  36  -5.109  -1.690   8.664
  239   HD11  ILE  36          HD11      ILE  36  -1.911  -2.620  10.157
  240   HD12  ILE  36          HD12      ILE  36  -1.035  -1.341   9.320
  241   HD13  ILE  36          HD13      ILE  36  -0.328  -2.950   9.454
  242    HA   PRO  37           HA       PRO  37  -5.984  -4.149   7.215
  243    HB2  PRO  37           HB2      PRO  37  -8.132  -4.583   5.242
  244    HB3  PRO  37           HB1      PRO  37  -8.165  -4.790   7.000
  245    HG2  PRO  37           HG2      PRO  37  -9.459  -2.766   5.807
  246    HG3  PRO  37           HG1      PRO  37  -8.663  -2.556   7.379
  247    HD2  PRO  37           HD2      PRO  37  -7.709  -1.756   4.652
  248    HD3  PRO  37           HD1      PRO  37  -7.651  -0.844   6.176
  249    HA   PRO  38           HA       PRO  38  -3.558  -6.214   4.120
  250    HB2  PRO  38           HB2      PRO  38  -4.383  -8.747   5.375
  251    HB3  PRO  38           HB1      PRO  38  -2.773  -8.038   5.229
  252    HG2  PRO  38           HG2      PRO  38  -4.063  -8.137   7.585
  253    HG3  PRO  38           HG1      PRO  38  -3.004  -6.781   7.150
  254    HD2  PRO  38           HD2      PRO  38  -5.999  -6.936   7.106
  255    HD3  PRO  38           HD1      PRO  38  -4.943  -5.606   7.627
  256    H    VAL  39           HN       VAL  39  -5.472  -5.568   2.657
  257    HA   VAL  39           HA       VAL  39  -6.870  -6.081   0.934
  258    HB   VAL  39           HB       VAL  39  -5.669  -8.849   1.011
  259   HG11  VAL  39          HG11      VAL  39  -6.702  -7.182  -1.278
  260   HG12  VAL  39          HG12      VAL  39  -7.550  -8.531  -0.525
  261   HG13  VAL  39          HG13      VAL  39  -6.042  -8.813  -1.394
  262   HG21  VAL  39          HG21      VAL  39  -3.850  -7.245   1.119
  263   HG22  VAL  39          HG22      VAL  39  -4.528  -6.358  -0.246
  264   HG23  VAL  39          HG23      VAL  39  -3.910  -7.993  -0.477
  265    H    GLU  40           HN       GLU  40  -8.280  -6.026   3.076
  266    HA   GLU  40           HA       GLU  40  -9.552  -8.517   3.743
  267    HB2  GLU  40           HB2      GLU  40  -9.196  -6.840   5.472
  268    HB3  GLU  40           HB1      GLU  40 -10.139  -5.668   4.567
  269    HG2  GLU  40           HG2      GLU  40 -12.120  -7.158   4.843
  270    HG3  GLU  40           HG1      GLU  40 -11.138  -8.169   5.903
  271    H    ALA  41           HN       ALA  41 -11.182  -5.466   2.920
  272    HA   ALA  41           HA       ALA  41 -12.813  -6.946   0.966
  273    HB1  ALA  41           HB1      ALA  41 -13.869  -4.907   2.924
  274    HB2  ALA  41           HB2      ALA  41 -14.063  -6.653   3.069
  275    HB3  ALA  41           HB3      ALA  41 -14.806  -5.793   1.721
  276    H    GLU  42           HN       GLU  42 -11.390  -3.902   1.961
  277    HA   GLU  42           HA       GLU  42 -12.303  -2.496  -0.394
  278    HB2  GLU  42           HB2      GLU  42 -10.383  -1.759   1.819
  279    HB3  GLU  42           HB1      GLU  42 -10.708  -0.708   0.448
  280    HG2  GLU  42           HG2      GLU  42 -12.836  -1.720   2.315
  281    HG3  GLU  42           HG1      GLU  42 -11.998  -0.182   2.517
  282    H    ARG  43           HN       ARG  43 -11.150  -4.670  -1.384
  283    HA   ARG  43           HA       ARG  43  -8.371  -4.007  -2.041
  284    HB2  ARG  43           HB2      ARG  43  -8.137  -6.239  -2.870
  285    HB3  ARG  43           HB1      ARG  43  -8.935  -6.328  -1.308
  286    HG2  ARG  43           HG2      ARG  43 -11.093  -6.605  -2.440
  287    HG3  ARG  43           HG1      ARG  43 -10.267  -6.554  -3.999
  288    HD2  ARG  43           HD2      ARG  43  -9.921  -8.606  -1.819
  289    HD3  ARG  43           HD1      ARG  43 -10.677  -8.847  -3.391
  290    HE   ARG  43           HE       ARG  43  -7.956  -7.968  -3.593
  291   HH11  ARG  43          HH11      ARG  43 -10.040 -10.748  -3.225
  292   HH12  ARG  43          HH12      ARG  43  -8.828 -11.887  -3.711
  293   HH21  ARG  43          HH21      ARG  43  -6.341  -9.446  -4.235
  294   HH22  ARG  43          HH22      ARG  43  -6.722 -11.143  -4.313
  295    H    THR  44           HN       THR  44 -11.069  -2.906  -3.099
  296    HA   THR  44           HA       THR  44 -10.178  -2.312  -5.708
  297    HB   THR  44           HB       THR  44 -10.927  -4.638  -6.146
  298    HG1  THR  44           HG1      THR  44 -11.811  -4.074  -8.021
  299   HG21  THR  44          HG21      THR  44 -13.336  -5.169  -6.080
  300   HG22  THR  44          HG22      THR  44 -13.640  -3.621  -5.292
  301   HG23  THR  44          HG23      THR  44 -12.677  -4.851  -4.476
  302    HA   PRO  45           HA       PRO  45 -11.003  -1.331  -7.517
  303    HB2  PRO  45           HB2      PRO  45 -10.987   1.583  -7.720
  304    HB3  PRO  45           HB1      PRO  45 -11.690   0.397  -8.828
  305    HG2  PRO  45           HG2      PRO  45 -13.204   2.068  -7.320
  306    HG3  PRO  45           HG1      PRO  45 -13.734   0.433  -7.780
  307    HD2  PRO  45           HD2      PRO  45 -12.557   1.382  -5.181
  308    HD3  PRO  45           HD1      PRO  45 -13.927   0.285  -5.461
  309    H    TRP  46           HN       TRP  46  -8.862  -0.462  -8.203
  310    HA   TRP  46           HA       TRP  46  -7.061  -0.327  -6.015
  311    HB2  TRP  46           HB2      TRP  46  -6.574  -1.258  -8.351
  312    HB3  TRP  46           HB1      TRP  46  -6.412   0.415  -8.876
  313    HD1  TRP  46           HD1      TRP  46  -4.646  -2.265  -6.825
  314    HE1  TRP  46           HE1      TRP  46  -2.246  -1.496  -6.323
  315    HE3  TRP  46           HE3      TRP  46  -4.941   2.543  -8.560
  316    HZ2  TRP  46           HZ2      TRP  46  -0.680   0.830  -6.623
  317    HZ3  TRP  46           HZ3      TRP  46  -2.943   3.971  -8.409
  318    HH2  TRP  46           HH2      TRP  46  -0.859   3.131  -7.461
  319    H    ASN  47           HN       ASN  47  -7.403   1.454  -4.741
  320    HA   ASN  47           HA       ASN  47  -6.628   4.019  -5.914
  321    HB2  ASN  47           HB2      ASN  47  -9.092   3.532  -4.225
  322    HB3  ASN  47           HB1      ASN  47  -8.395   5.130  -4.463
  323   HD21  ASN  47          HD21      ASN  47  -8.519   6.098  -6.496
  324   HD22  ASN  47          HD22      ASN  47  -9.634   5.547  -7.699
  325    H    CYS  48           HN       CYS  48  -5.545   5.373  -4.521
  326    HA   CYS  48           HA       CYS  48  -4.176   4.149  -2.344
  327    HB2  CYS  48           HB2      CYS  48  -3.103   5.797  -3.781
  328    HB3  CYS  48           HB1      CYS  48  -4.279   7.012  -3.312
  329    H    ILE  49           HN       ILE  49  -5.204   3.729  -0.514
  330    HA   ILE  49           HA       ILE  49  -7.620   4.847   0.296
  331    HB   ILE  49           HB       ILE  49  -7.103   3.879   2.571
  332   HG12  ILE  49          HG12      ILE  49  -4.593   2.948   1.157
  333   HG13  ILE  49          HG11      ILE  49  -4.668   4.066   2.512
  334   HG21  ILE  49          HG21      ILE  49  -8.371   2.614   0.992
  335   HG22  ILE  49          HG22      ILE  49  -7.211   1.530   1.759
  336   HG23  ILE  49          HG23      ILE  49  -6.914   2.129   0.128
  337   HD11  ILE  49          HD11      ILE  49  -5.570   2.281   3.920
  338   HD12  ILE  49          HD12      ILE  49  -3.994   1.865   3.248
  339   HD13  ILE  49          HD13      ILE  49  -5.460   1.165   2.560
  340    H    PHE  50           HN       PHE  50  -4.347   5.863   1.062
  341    HA   PHE  50           HA       PHE  50  -5.154   7.625   3.166
  342    HB2  PHE  50           HB2      PHE  50  -2.576   7.532   1.585
  343    HB3  PHE  50           HB1      PHE  50  -2.839   8.521   3.015
  344    HD1  PHE  50           HD1      PHE  50  -3.485   7.288   5.182
  345    HD2  PHE  50           HD2      PHE  50  -1.773   5.365   1.788
  346    HE1  PHE  50           HE1      PHE  50  -2.778   5.413   6.603
  347    HE2  PHE  50           HE2      PHE  50  -1.068   3.487   3.205
  348    HZ   PHE  50           HZ       PHE  50  -1.571   3.507   5.617
  349    H    CYS  51           HN       CYS  51  -4.301   8.120  -0.263
  350    HA   CYS  51           HA       CYS  51  -4.770  10.917  -0.211
  351    HB2  CYS  51           HB2      CYS  51  -4.623   8.904  -2.446
  352    HB3  CYS  51           HB1      CYS  51  -5.099  10.566  -2.763
  353    H    ARG  52           HN       ARG  52  -6.874   8.155  -0.520
  354    HA   ARG  52           HA       ARG  52  -9.105   9.785  -1.414
  355    HB2  ARG  52           HB2      ARG  52  -8.922   6.842  -0.778
  356    HB3  ARG  52           HB1      ARG  52 -10.375   7.640  -1.355
  357    HG2  ARG  52           HG2      ARG  52  -7.768   7.490  -2.858
  358    HG3  ARG  52           HG1      ARG  52  -9.157   6.437  -3.122
  359    HD2  ARG  52           HD2      ARG  52  -9.287   8.097  -4.794
  360    HD3  ARG  52           HD1      ARG  52 -10.491   8.542  -3.588
  361    HE   ARG  52           HE       ARG  52  -7.830   9.789  -3.559
  362   HH11  ARG  52          HH11      ARG  52 -11.295  10.067  -3.961
  363   HH12  ARG  52          HH12      ARG  52 -11.305  11.791  -3.803
  364   HH21  ARG  52          HH21      ARG  52  -7.829  12.057  -3.367
  365   HH22  ARG  52          HH22      ARG  52  -9.325  12.928  -3.462
  366    H    MET  53           HN       MET  53  -7.686   9.271   1.478
  367    HA   MET  53           HA       MET  53  -8.269   9.588   3.652
  368    HB2  MET  53           HB2      MET  53 -10.673  10.892   2.370
  369    HB3  MET  53           HB1      MET  53 -10.334  10.948   4.093
  370    HG2  MET  53           HG2      MET  53  -8.251  12.125   3.661
  371    HG3  MET  53           HG1      MET  53  -8.551  12.036   1.926
  372    HE1  MET  53           HE1      MET  53 -11.096  14.499   4.890
  373    HE2  MET  53           HE2      MET  53  -9.715  13.500   5.349
  374    HE3  MET  53           HE3      MET  53 -11.207  12.741   4.793
  375    H    LYS  54           HN       LYS  54  -8.861   7.055   2.598
  376    HA   LYS  54           HA       LYS  54 -11.504   6.250   3.267
  377    HB2  LYS  54           HB2      LYS  54  -8.967   4.748   2.707
  378    HB3  LYS  54           HB1      LYS  54 -10.382   3.903   3.315
  379    HG2  LYS  54           HG2      LYS  54 -10.327   5.568   0.800
  380    HG3  LYS  54           HG1      LYS  54 -10.185   3.808   0.859
  381    HD2  LYS  54           HD2      LYS  54 -12.398   3.705   1.961
  382    HD3  LYS  54           HD1      LYS  54 -12.539   5.453   1.789
  383    HE2  LYS  54           HE2      LYS  54 -13.771   4.407   0.017
  384    HE3  LYS  54           HE1      LYS  54 -12.342   5.173  -0.671
  385    HZ1  LYS  54           HZ1      LYS  54 -11.262   3.000  -0.699
  386    HZ2  LYS  54           HZ2      LYS  54 -12.685   2.995  -1.610
  387    HZ3  LYS  54           HZ3      LYS  54 -12.665   2.272  -0.076
  388    H    GLU  55           HN       GLU  55  -8.430   5.458   4.910
  389    HA   GLU  55           HA       GLU  55  -7.984   4.859   7.058
  390    HB2  GLU  55           HB2      GLU  55 -10.324   6.675   7.675
  391    HB3  GLU  55           HB1      GLU  55  -9.143   6.106   8.840
  392    HG2  GLU  55           HG2      GLU  55  -8.549   7.881   6.482
  393    HG3  GLU  55           HG1      GLU  55  -8.745   8.417   8.148
  394    H    SER  56           HN       SER  56  -8.935   2.798   6.086
  395    HA   SER  56           HA       SER  56 -11.603   2.076   6.854
  396    HB2  SER  56           HB2      SER  56  -9.439   0.294   5.715
  397    HB3  SER  56           HB1      SER  56 -11.181   0.018   5.677
  398    HG   SER  56           HG       SER  56 -11.185   2.145   4.489
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1  17.095   6.085   8.330
    2    H2   GLY   1           HT2      GLY   1  16.665   4.647   9.107
    3    H3   GLY   1           HT3      GLY   1  15.493   5.550   8.289
    4    HA2  GLY   1           HA1      GLY   1  17.806   4.182   7.035
    5    HA3  GLY   1           HA2      GLY   1  16.146   3.606   7.010
    6    H    ALA   2           HN       ALA   2  15.096   4.019   5.212
    7    HA   ALA   2           HA       ALA   2  14.423   4.935   3.249
    8    HB1  ALA   2           HB1      ALA   2  14.172   7.353   3.156
    9    HB2  ALA   2           HB2      ALA   2  15.248   7.534   4.543
   10    HB3  ALA   2           HB3      ALA   2  13.686   6.741   4.739
   11    H    MET   3           HN       MET   3  16.964   3.851   3.143
   12    HA   MET   3           HA       MET   3  18.222   5.610   1.160
   13    HB2  MET   3           HB2      MET   3  19.491   5.845   3.260
   14    HB3  MET   3           HB1      MET   3  19.730   4.103   3.305
   15    HG2  MET   3           HG2      MET   3  20.939   4.269   1.141
   16    HG3  MET   3           HG1      MET   3  20.801   6.022   1.250
   17    HE1  MET   3           HE1      MET   3  23.247   3.392   4.147
   18    HE2  MET   3           HE2      MET   3  22.400   2.783   2.725
   19    HE3  MET   3           HE3      MET   3  21.485   3.373   4.111
   20    H    GLY   4           HN       GLY   4  19.017   2.427   2.566
   21    HA2  GLY   4           HA2      GLY   4  19.216   1.443  -0.211
   22    HA3  GLY   4           HA1      GLY   4  20.195   0.859   1.123
   23    H    MET   5           HN       MET   5  17.456   1.046   2.670
   24    HA   MET   5           HA       MET   5  16.823  -1.734   2.215
   25    HB2  MET   5           HB2      MET   5  15.761   0.306   4.160
   26    HB3  MET   5           HB1      MET   5  15.100  -1.318   4.039
   27    HG2  MET   5           HG2      MET   5  17.306  -2.240   4.577
   28    HG3  MET   5           HG1      MET   5  17.938  -0.602   4.739
   29    HE1  MET   5           HE1      MET   5  18.835  -1.259   7.191
   30    HE2  MET   5           HE2      MET   5  18.169  -2.877   6.973
   31    HE3  MET   5           HE3      MET   5  17.802  -1.962   8.436
   32    H    ARG   6           HN       ARG   6  16.289  -0.941  -0.070
   33    HA   ARG   6           HA       ARG   6  13.535  -0.008  -0.320
   34    HB2  ARG   6           HB2      ARG   6  15.520  -0.753  -2.481
   35    HB3  ARG   6           HB1      ARG   6  13.975   0.053  -2.722
   36    HG2  ARG   6           HG2      ARG   6  16.337   1.178  -1.227
   37    HG3  ARG   6           HG1      ARG   6  15.833   1.620  -2.858
   38    HD2  ARG   6           HD2      ARG   6  13.710   2.451  -1.983
   39    HD3  ARG   6           HD1      ARG   6  14.194   1.990  -0.352
   40    HE   ARG   6           HE       ARG   6  16.136   3.706  -1.457
   41   HH11  ARG   6          HH11      ARG   6  12.873   3.726  -0.200
   42   HH12  ARG   6          HH12      ARG   6  12.915   5.402   0.247
   43   HH21  ARG   6          HH21      ARG   6  16.205   5.914  -0.862
   44   HH22  ARG   6          HH22      ARG   6  14.814   6.649  -0.131
   45    H    ASN   7           HN       ASN   7  15.250  -2.845  -0.016
   46    HA   ASN   7           HA       ASN   7  13.358  -4.525  -1.429
   47    HB2  ASN   7           HB2      ASN   7  14.749  -6.394  -0.551
   48    HB3  ASN   7           HB1      ASN   7  15.685  -5.214  -1.462
   49   HD21  ASN   7          HD21      ASN   7  16.519  -7.154   0.595
   50   HD22  ASN   7          HD22      ASN   7  17.295  -6.223   1.828
   51    H    LEU   8           HN       LEU   8  11.670  -3.448  -0.071
   52    HA   LEU   8           HA       LEU   8  11.458  -4.248   2.684
   53    HB2  LEU   8           HB2      LEU   8   9.467  -2.902   0.865
   54    HB3  LEU   8           HB1      LEU   8   9.269  -3.112   2.594
   55    HG   LEU   8           HG       LEU   8  11.421  -1.461   1.261
   56   HD11  LEU   8          HD11      LEU   8   9.202  -0.461   1.080
   57   HD12  LEU   8          HD12      LEU   8  10.236   0.452   2.175
   58   HD13  LEU   8          HD13      LEU   8   8.989  -0.614   2.823
   59   HD21  LEU   8          HD21      LEU   8  10.776  -1.903   4.170
   60   HD22  LEU   8          HD22      LEU   8  11.890  -0.683   3.558
   61   HD23  LEU   8          HD23      LEU   8  12.243  -2.393   3.325
   62    H    ASP   9           HN       ASP   9  11.760  -6.547   1.688
   63    HA   ASP   9           HA       ASP   9   9.230  -7.740   0.898
   64    HB2  ASP   9           HB2      ASP   9  12.035  -8.839   1.088
   65    HB3  ASP   9           HB1      ASP   9  10.636  -9.824   0.674
   66    H    GLU  10           HN       GLU  10  10.251  -6.716   3.653
   67    HA   GLU  10           HA       GLU  10   9.837  -8.990   5.355
   68    HB2  GLU  10           HB2      GLU  10  11.146  -7.112   6.178
   69    HB3  GLU  10           HB1      GLU  10   9.799  -6.016   5.918
   70    HG2  GLU  10           HG2      GLU  10   8.506  -7.236   7.615
   71    HG3  GLU  10           HG1      GLU  10   9.902  -8.274   7.899
   72    H    CYS  11           HN       CYS  11   7.979  -6.477   3.877
   73    HA   CYS  11           HA       CYS  11   5.489  -6.860   5.086
   74    HB2  CYS  11           HB2      CYS  11   6.073  -4.981   3.606
   75    HB3  CYS  11           HB1      CYS  11   6.180  -6.082   2.244
   76    H    GLU  12           HN       GLU  12   4.713  -8.859   5.338
   77    HA   GLU  12           HA       GLU  12   5.375 -11.060   3.729
   78    HB2  GLU  12           HB2      GLU  12   4.652 -11.219   6.091
   79    HB3  GLU  12           HB1      GLU  12   3.027 -10.758   5.599
   80    HG2  GLU  12           HG2      GLU  12   2.960 -12.770   4.147
   81    HG3  GLU  12           HG1      GLU  12   4.515 -13.252   4.823
   82    H    VAL  13           HN       VAL  13   2.605  -8.882   3.718
   83    HA   VAL  13           HA       VAL  13   0.972 -10.487   2.082
   84    HB   VAL  13           HB       VAL  13  -0.012  -8.740   3.420
   85   HG11  VAL  13          HG11      VAL  13   1.477  -6.792   1.680
   86   HG12  VAL  13          HG12      VAL  13   1.817  -7.143   3.373
   87   HG13  VAL  13          HG13      VAL  13   0.295  -6.379   2.920
   88   HG21  VAL  13          HG21      VAL  13  -0.330  -8.072   0.501
   89   HG22  VAL  13          HG22      VAL  13  -1.470  -7.692   1.792
   90   HG23  VAL  13          HG23      VAL  13  -1.168  -9.374   1.348
   91    H    CYS  14           HN       CYS  14   3.220  -7.833   1.287
   92    HA   CYS  14           HA       CYS  14   2.728  -7.890  -1.492
   93    HB2  CYS  14           HB2      CYS  14   4.980  -6.872   0.196
   94    HB3  CYS  14           HB1      CYS  14   5.159  -6.926  -1.554
   95    H    ARG  15           HN       ARG  15   4.919  -9.668   0.566
   96    HA   ARG  15           HA       ARG  15   6.384 -10.968  -1.473
   97    HB2  ARG  15           HB2      ARG  15   7.189 -10.874   0.813
   98    HB3  ARG  15           HB1      ARG  15   5.793 -11.782   1.373
   99    HG2  ARG  15           HG2      ARG  15   6.552 -13.729   0.114
  100    HG3  ARG  15           HG1      ARG  15   7.959 -12.819  -0.443
  101    HD2  ARG  15           HD2      ARG  15   8.673 -12.524   1.886
  102    HD3  ARG  15           HD1      ARG  15   7.279 -13.460   2.424
  103    HE   ARG  15           HE       ARG  15   8.750 -15.000   0.587
  104   HH11  ARG  15          HH11      ARG  15   9.017 -13.711   3.832
  105   HH12  ARG  15          HH12      ARG  15  10.074 -14.973   4.381
  106   HH21  ARG  15          HH21      ARG  15  10.126 -16.666   1.305
  107   HH22  ARG  15          HH22      ARG  15  10.691 -16.668   2.945
  108    H    ASP  16           HN       ASP  16   3.428 -11.763   0.244
  109    HA   ASP  16           HA       ASP  16   3.023 -14.289  -0.995
  110    HB2  ASP  16           HB2      ASP  16   2.018 -13.670   1.160
  111    HB3  ASP  16           HB1      ASP  16   1.053 -12.436   0.362
  112    H    GLY  17           HN       GLY  17   2.638 -11.113  -2.123
  113    HA2  GLY  17           HA2      GLY  17   2.183 -10.654  -4.410
  114    HA3  GLY  17           HA1      GLY  17   1.233 -12.131  -4.489
  115    H    GLY  18           HN       GLY  18   0.685 -10.173  -1.747
  116    HA2  GLY  18           HA2      GLY  18  -2.011  -9.627  -2.449
  117    HA3  GLY  18           HA1      GLY  18  -1.150  -8.967  -1.070
  118    H    GLU  19           HN       GLU  19  -2.866  -7.295  -2.137
  119    HA   GLU  19           HA       GLU  19  -1.747  -5.819  -4.355
  120    HB2  GLU  19           HB2      GLU  19  -4.159  -5.246  -2.638
  121    HB3  GLU  19           HB1      GLU  19  -3.722  -4.366  -4.095
  122    HG2  GLU  19           HG2      GLU  19  -4.607  -7.219  -3.856
  123    HG3  GLU  19           HG1      GLU  19  -5.434  -5.890  -4.664
  124    H    LEU  20           HN       LEU  20  -1.672  -3.425  -4.210
  125    HA   LEU  20           HA       LEU  20  -0.757  -2.470  -1.587
  126    HB2  LEU  20           HB2      LEU  20   1.027  -2.971  -3.441
  127    HB3  LEU  20           HB1      LEU  20   0.449  -1.476  -4.147
  128    HG   LEU  20           HG       LEU  20   1.476  -1.634  -1.316
  129   HD11  LEU  20          HD11      LEU  20   3.241  -2.382  -2.806
  130   HD12  LEU  20          HD12      LEU  20   3.599  -0.768  -2.189
  131   HD13  LEU  20          HD13      LEU  20   2.996  -0.972  -3.834
  132   HD21  LEU  20          HD21      LEU  20   1.187   0.685  -3.230
  133   HD22  LEU  20          HD22      LEU  20   1.776   0.763  -1.569
  134   HD23  LEU  20          HD23      LEU  20   0.098   0.323  -1.891
  135    H    PHE  21           HN       PHE  21  -1.933  -0.765  -0.949
  136    HA   PHE  21           HA       PHE  21  -3.770   0.383  -2.936
  137    HB2  PHE  21           HB2      PHE  21  -4.017   0.285   0.088
  138    HB3  PHE  21           HB1      PHE  21  -5.239   0.890  -1.027
  139    HD1  PHE  21           HD2      PHE  21  -6.212  -0.751  -2.725
  140    HD2  PHE  21           HD1      PHE  21  -3.955  -1.974   0.672
  141    HE1  PHE  21           HE2      PHE  21  -7.142  -3.018  -2.922
  142    HE2  PHE  21           HE1      PHE  21  -4.881  -4.243   0.476
  143    HZ   PHE  21           HZ       PHE  21  -6.478  -4.764  -1.324
  144    H    CYS  22           HN       CYS  22  -1.367   1.499  -3.131
  145    HA   CYS  22           HA       CYS  22  -1.759   4.186  -2.091
  146    HB2  CYS  22           HB2      CYS  22   0.672   2.503  -1.466
  147    HB3  CYS  22           HB1      CYS  22   0.637   4.254  -1.288
  148    H    CYS  23           HN       CYS  23  -0.467   5.763  -3.159
  149    HA   CYS  23           HA       CYS  23   0.348   5.156  -5.837
  150    HB2  CYS  23           HB2      CYS  23   1.013   7.678  -4.307
  151    HB3  CYS  23           HB1      CYS  23   0.776   7.493  -6.045
  152    H    ASP  24           HN       ASP  24   2.633   5.823  -6.568
  153    HA   ASP  24           HA       ASP  24   4.576   4.274  -5.346
  154    HB2  ASP  24           HB2      ASP  24   4.819   5.104  -7.630
  155    HB3  ASP  24           HB1      ASP  24   4.953   6.756  -7.041
  156    H    THR  25           HN       THR  25   4.091   7.772  -5.052
  157    HA   THR  25           HA       THR  25   6.148   8.254  -3.205
  158    HB   THR  25           HB       THR  25   3.566   9.806  -3.441
  159    HG1  THR  25           HG1      THR  25   4.262  10.020  -5.451
  160   HG21  THR  25          HG21      THR  25   4.967  10.437  -1.532
  161   HG22  THR  25          HG22      THR  25   4.952  11.710  -2.753
  162   HG23  THR  25          HG23      THR  25   6.348  10.641  -2.609
  163    H    CYS  26           HN       CYS  26   2.696   7.622  -2.710
  164    HA   CYS  26           HA       CYS  26   2.689   7.946   0.080
  165    HB2  CYS  26           HB2      CYS  26   0.812   6.343  -1.668
  166    HB3  CYS  26           HB1      CYS  26   0.478   6.870  -0.020
  167    H    SER  27           HN       SER  27   3.275   5.126  -1.943
  168    HA   SER  27           HA       SER  27   3.210   3.216   0.169
  169    HB2  SER  27           HB2      SER  27   2.928   2.652  -2.247
  170    HB3  SER  27           HB1      SER  27   4.633   3.016  -2.495
  171    HG   SER  27           HG       SER  27   4.738   0.921  -2.101
  172    H    ARG  28           HN       ARG  28   5.711   5.211  -1.259
  173    HA   ARG  28           HA       ARG  28   7.927   3.827  -0.181
  174    HB2  ARG  28           HB2      ARG  28   7.535   6.568  -1.331
  175    HB3  ARG  28           HB1      ARG  28   9.088   6.075  -0.669
  176    HG2  ARG  28           HG2      ARG  28   9.445   4.499  -2.319
  177    HG3  ARG  28           HG1      ARG  28   7.728   4.363  -2.701
  178    HD2  ARG  28           HD2      ARG  28   8.867   5.516  -4.484
  179    HD3  ARG  28           HD1      ARG  28   7.786   6.629  -3.655
  180    HE   ARG  28           HE       ARG  28  10.228   6.979  -2.452
  181   HH11  ARG  28          HH11      ARG  28   8.963   7.175  -5.710
  182   HH12  ARG  28          HH12      ARG  28  10.100   8.389  -6.218
  183   HH21  ARG  28          HH21      ARG  28  11.727   8.590  -3.111
  184   HH22  ARG  28          HH22      ARG  28  11.668   9.198  -4.733
  185    H    VAL  29           HN       VAL  29   5.784   6.211   1.131
  186    HA   VAL  29           HA       VAL  29   7.602   6.679   3.360
  187    HB   VAL  29           HB       VAL  29   5.901   8.391   4.087
  188   HG11  VAL  29          HG11      VAL  29   7.937   9.008   2.921
  189   HG12  VAL  29          HG12      VAL  29   6.596  10.018   2.377
  190   HG13  VAL  29          HG13      VAL  29   7.167   8.688   1.366
  191   HG21  VAL  29          HG21      VAL  29   3.970   7.504   2.875
  192   HG22  VAL  29          HG22      VAL  29   4.767   7.855   1.342
  193   HG23  VAL  29          HG23      VAL  29   4.302   9.173   2.415
  194    H    PHE  30           HN       PHE  30   4.346   5.375   2.753
  195    HA   PHE  30           HA       PHE  30   4.417   4.300   5.500
  196    HB2  PHE  30           HB2      PHE  30   1.909   5.281   4.121
  197    HB3  PHE  30           HB1      PHE  30   2.050   4.698   5.774
  198    HD1  PHE  30           HD2      PHE  30   4.030   6.072   7.100
  199    HD2  PHE  30           HD1      PHE  30   1.591   7.552   3.933
  200    HE1  PHE  30           HE2      PHE  30   4.415   8.374   7.876
  201    HE2  PHE  30           HE1      PHE  30   1.981   9.852   4.710
  202    HZ   PHE  30           HZ       PHE  30   3.334  10.272   6.680
  203    H    HIS  31           HN       HIS  31   5.373   2.685   3.684
  204    HA   HIS  31           HA       HIS  31   3.601   1.201   2.113
  205    HB2  HIS  31           HB2      HIS  31   6.070   1.149   1.880
  206    HB3  HIS  31           HB1      HIS  31   6.172   0.233   3.377
  207    HD1  HIS  31           HD1      HIS  31   4.703  -0.150  -0.133
  208    HD2  HIS  31           HD2      HIS  31   6.054  -2.439   3.070
  209    HE1  HIS  31           HE1      HIS  31   4.703  -2.563  -0.920
  210    H    GLU  32           HN       GLU  32   4.701   0.605   5.446
  211    HA   GLU  32           HA       GLU  32   3.543  -1.992   5.571
  212    HB2  GLU  32           HB2      GLU  32   4.419  -0.152   7.802
  213    HB3  GLU  32           HB1      GLU  32   4.040  -1.860   7.983
  214    HG2  GLU  32           HG2      GLU  32   5.890  -2.456   6.542
  215    HG3  GLU  32           HG1      GLU  32   6.243  -0.754   6.253
  216    H    ASP  33           HN       ASP  33   2.539   1.194   6.654
  217    HA   ASP  33           HA       ASP  33   0.118   0.367   7.886
  218    HB2  ASP  33           HB2      ASP  33   0.970   3.048   6.785
  219    HB3  ASP  33           HB1      ASP  33  -0.512   2.790   7.697
  220    H    CYS  34           HN       CYS  34   1.066   0.899   4.639
  221    HA   CYS  34           HA       CYS  34  -1.359   1.688   3.470
  222    HB2  CYS  34           HB2      CYS  34   0.896   1.807   2.395
  223    HB3  CYS  34           HB1      CYS  34   0.840   0.056   2.192
  224    H    HIS  35           HN       HIS  35  -0.172  -1.466   4.397
  225    HA   HIS  35           HA       HIS  35  -2.284  -2.793   2.864
  226    HB2  HIS  35           HB2      HIS  35  -0.094  -4.061   4.519
  227    HB3  HIS  35           HB1      HIS  35  -1.138  -4.863   3.346
  228    HD1  HIS  35           HD1      HIS  35  -0.481  -4.620   0.825
  229    HD2  HIS  35           HD2      HIS  35   1.943  -2.503   3.455
  230    HE1  HIS  35           HE1      HIS  35   1.544  -3.882  -0.500
  231    H    ILE  36           HN       ILE  36  -2.602  -1.153   5.378
  232    HA   ILE  36           HA       ILE  36  -4.181  -3.132   6.860
  233    HB   ILE  36           HB       ILE  36  -2.500  -0.955   8.118
  234   HG12  ILE  36          HG12      ILE  36  -2.186  -3.966   8.245
  235   HG13  ILE  36          HG11      ILE  36  -1.166  -2.877   7.311
  236   HG21  ILE  36          HG21      ILE  36  -3.213  -1.924  10.254
  237   HG22  ILE  36          HG22      ILE  36  -4.256  -3.052   9.388
  238   HG23  ILE  36          HG23      ILE  36  -4.583  -1.321   9.320
  239   HD11  ILE  36          HD11      ILE  36  -0.399  -1.820   9.365
  240   HD12  ILE  36          HD12      ILE  36  -0.097  -3.557   9.390
  241   HD13  ILE  36          HD13      ILE  36  -1.443  -2.884  10.309
  242    HA   PRO  37           HA       PRO  37  -5.893  -3.590   6.827
  243    HB2  PRO  37           HB2      PRO  37  -8.511  -3.676   6.376
  244    HB3  PRO  37           HB1      PRO  37  -7.887  -3.136   7.947
  245    HG2  PRO  37           HG2      PRO  37  -8.988  -1.529   5.679
  246    HG3  PRO  37           HG1      PRO  37  -9.158  -1.273   7.425
  247    HD2  PRO  37           HD2      PRO  37  -7.324   0.015   5.724
  248    HD3  PRO  37           HD1      PRO  37  -7.287   0.013   7.497
  249    HA   PRO  38           HA       PRO  38  -5.866  -4.109   2.386
  250    HB2  PRO  38           HB2      PRO  38  -5.752  -6.795   2.270
  251    HB3  PRO  38           HB1      PRO  38  -4.376  -5.821   2.803
  252    HG2  PRO  38           HG2      PRO  38  -6.324  -7.400   4.418
  253    HG3  PRO  38           HG1      PRO  38  -4.588  -7.157   4.677
  254    HD2  PRO  38           HD2      PRO  38  -6.616  -5.794   6.011
  255    HD3  PRO  38           HD1      PRO  38  -4.931  -5.251   5.883
  256    H    VAL  39           HN       VAL  39  -7.797  -3.522   1.498
  257    HA   VAL  39           HA       VAL  39 -10.227  -4.925   2.112
  258    HB   VAL  39           HB       VAL  39 -11.253  -3.419   0.393
  259   HG11  VAL  39          HG11      VAL  39 -10.980  -1.367   1.730
  260   HG12  VAL  39          HG12      VAL  39  -9.615  -2.111   2.563
  261   HG13  VAL  39          HG13      VAL  39 -11.232  -2.793   2.736
  262   HG21  VAL  39          HG21      VAL  39  -8.490  -2.211   0.284
  263   HG22  VAL  39          HG22      VAL  39  -9.938  -1.578  -0.500
  264   HG23  VAL  39          HG23      VAL  39  -9.258  -3.123  -1.013
  265    H    GLU  40           HN       GLU  40 -11.334  -6.358   0.892
  266    HA   GLU  40           HA       GLU  40  -9.853  -7.595  -1.312
  267    HB2  GLU  40           HB2      GLU  40 -10.525  -8.982   0.648
  268    HB3  GLU  40           HB1      GLU  40 -12.208  -8.638   0.284
  269    HG2  GLU  40           HG2      GLU  40 -11.556 -10.846  -0.489
  270    HG3  GLU  40           HG1      GLU  40 -12.010  -9.804  -1.837
  271    H    ALA  41           HN       ALA  41 -12.387  -5.485  -0.772
  272    HA   ALA  41           HA       ALA  41 -14.007  -6.334  -3.029
  273    HB1  ALA  41           HB1      ALA  41 -14.316  -3.920  -1.252
  274    HB2  ALA  41           HB2      ALA  41 -15.077  -5.489  -0.984
  275    HB3  ALA  41           HB3      ALA  41 -15.501  -4.534  -2.405
  276    H    GLU  42           HN       GLU  42 -11.212  -4.604  -2.721
  277    HA   GLU  42           HA       GLU  42 -11.753  -3.104  -5.186
  278    HB2  GLU  42           HB2      GLU  42 -10.326  -1.998  -2.755
  279    HB3  GLU  42           HB1      GLU  42 -10.452  -1.188  -4.312
  280    HG2  GLU  42           HG2      GLU  42 -12.879  -1.106  -4.077
  281    HG3  GLU  42           HG1      GLU  42 -12.759  -1.919  -2.520
  282    H    ARG  43           HN       ARG  43 -10.663  -5.093  -5.967
  283    HA   ARG  43           HA       ARG  43  -7.807  -5.272  -5.448
  284    HB2  ARG  43           HB2      ARG  43  -9.510  -6.893  -7.353
  285    HB3  ARG  43           HB1      ARG  43  -7.855  -7.247  -6.879
  286    HG2  ARG  43           HG2      ARG  43 -10.241  -7.253  -5.043
  287    HG3  ARG  43           HG1      ARG  43  -9.465  -8.676  -5.733
  288    HD2  ARG  43           HD2      ARG  43  -8.227  -6.692  -3.831
  289    HD3  ARG  43           HD1      ARG  43  -8.714  -8.344  -3.458
  290    HE   ARG  43           HE       ARG  43  -6.467  -7.576  -5.200
  291   HH11  ARG  43          HH11      ARG  43  -8.135  -9.981  -3.268
  292   HH12  ARG  43          HH12      ARG  43  -6.770 -11.059  -3.227
  293   HH21  ARG  43          HH21      ARG  43  -4.682  -8.996  -5.154
  294   HH22  ARG  43          HH22      ARG  43  -4.826 -10.516  -4.317
  295    H    THR  44           HN       THR  44  -9.955  -4.665  -8.213
  296    HA   THR  44           HA       THR  44  -7.760  -3.210  -9.494
  297    HB   THR  44           HB       THR  44  -8.608  -4.146 -11.716
  298    HG1  THR  44           HG1      THR  44  -9.421  -6.484 -11.002
  299   HG21  THR  44          HG21      THR  44  -7.248  -5.995  -9.750
  300   HG22  THR  44          HG22      THR  44  -6.463  -4.845 -10.834
  301   HG23  THR  44          HG23      THR  44  -7.302  -6.248 -11.494
  302    HA   PRO  45           HA       PRO  45  -7.275  -1.611 -10.385
  303    HB2  PRO  45           HB2      PRO  45  -7.219   1.060 -10.150
  304    HB3  PRO  45           HB1      PRO  45  -7.682   0.281 -11.673
  305    HG2  PRO  45           HG2      PRO  45  -9.432   1.454  -9.534
  306    HG3  PRO  45           HG1      PRO  45  -9.554   1.622 -11.300
  307    HD2  PRO  45           HD2      PRO  45 -11.065  -0.143  -9.851
  308    HD3  PRO  45           HD1      PRO  45 -10.605  -0.413 -11.544
  309    H    TRP  46           HN       TRP  46  -5.775  -0.226  -8.854
  310    HA   TRP  46           HA       TRP  46  -6.439  -0.953  -6.164
  311    HB2  TRP  46           HB2      TRP  46  -4.247   0.189  -5.604
  312    HB3  TRP  46           HB1      TRP  46  -4.117  -1.122  -6.771
  313    HD1  TRP  46           HD1      TRP  46  -3.385  -0.493  -9.242
  314    HE1  TRP  46           HE1      TRP  46  -2.317   1.618 -10.258
  315    HE3  TRP  46           HE3      TRP  46  -4.237   2.784  -5.402
  316    HZ2  TRP  46           HZ2      TRP  46  -1.893   4.313  -9.530
  317    HZ3  TRP  46           HZ3      TRP  46  -3.468   5.109  -5.648
  318    HH2  TRP  46           HH2      TRP  46  -2.320   5.855  -7.667
  319    H    ASN  47           HN       ASN  47  -6.227   0.681  -4.360
  320    HA   ASN  47           HA       ASN  47  -7.220   3.333  -5.105
  321    HB2  ASN  47           HB2      ASN  47  -9.217   1.978  -4.636
  322    HB3  ASN  47           HB1      ASN  47  -8.548   1.510  -3.077
  323   HD21  ASN  47          HD21      ASN  47  -9.992   4.060  -4.930
  324   HD22  ASN  47          HD22      ASN  47 -10.341   5.106  -3.597
  325    H    CYS  48           HN       CYS  48  -5.906   4.764  -4.153
  326    HA   CYS  48           HA       CYS  48  -4.195   3.962  -1.992
  327    HB2  CYS  48           HB2      CYS  48  -3.389   5.523  -3.717
  328    HB3  CYS  48           HB1      CYS  48  -4.606   6.695  -3.226
  329    H    ILE  49           HN       ILE  49  -5.141   3.645  -0.097
  330    HA   ILE  49           HA       ILE  49  -7.465   4.912   0.813
  331    HB   ILE  49           HB       ILE  49  -6.799   4.085   3.095
  332   HG12  ILE  49          HG12      ILE  49  -4.418   2.997   1.567
  333   HG13  ILE  49          HG11      ILE  49  -4.374   4.173   2.873
  334   HG21  ILE  49          HG21      ILE  49  -8.206   2.757   1.662
  335   HG22  ILE  49          HG22      ILE  49  -7.064   1.701   2.493
  336   HG23  ILE  49          HG23      ILE  49  -6.803   2.127   0.804
  337   HD11  ILE  49          HD11      ILE  49  -5.204   1.293   3.090
  338   HD12  ILE  49          HD12      ILE  49  -5.241   2.466   4.406
  339   HD13  ILE  49          HD13      ILE  49  -3.703   2.010   3.676
  340    H    PHE  50           HN       PHE  50  -4.142   5.921   0.975
  341    HA   PHE  50           HA       PHE  50  -4.576   7.877   3.022
  342    HB2  PHE  50           HB2      PHE  50  -2.297   7.545   1.057
  343    HB3  PHE  50           HB1      PHE  50  -2.320   8.737   2.357
  344    HD1  PHE  50           HD1      PHE  50  -2.540   7.902   4.741
  345    HD2  PHE  50           HD2      PHE  50  -1.593   5.344   1.474
  346    HE1  PHE  50           HE1      PHE  50  -1.674   6.225   6.312
  347    HE2  PHE  50           HE2      PHE  50  -0.727   3.662   3.042
  348    HZ   PHE  50           HZ       PHE  50  -0.771   4.098   5.462
  349    H    CYS  51           HN       CYS  51  -4.383   8.007  -0.527
  350    HA   CYS  51           HA       CYS  51  -4.869  10.837  -0.568
  351    HB2  CYS  51           HB2      CYS  51  -4.816   8.734  -2.725
  352    HB3  CYS  51           HB1      CYS  51  -5.280  10.398  -3.059
  353    H    ARG  52           HN       ARG  52  -6.815   7.980  -0.561
  354    HA   ARG  52           HA       ARG  52  -9.265   9.068  -1.420
  355    HB2  ARG  52           HB2      ARG  52  -8.752   6.647  -1.163
  356    HB3  ARG  52           HB1      ARG  52  -8.776   6.856   0.581
  357    HG2  ARG  52           HG2      ARG  52 -11.135   7.484   0.473
  358    HG3  ARG  52           HG1      ARG  52 -11.107   7.269  -1.281
  359    HD2  ARG  52           HD2      ARG  52 -10.374   4.918  -0.905
  360    HD3  ARG  52           HD1      ARG  52 -10.632   5.165   0.818
  361    HE   ARG  52           HE       ARG  52 -13.021   5.793  -0.056
  362   HH11  ARG  52          HH11      ARG  52 -10.918   3.216  -1.114
  363   HH12  ARG  52          HH12      ARG  52 -12.213   2.160  -1.589
  364   HH21  ARG  52          HH21      ARG  52 -14.746   4.413  -0.666
  365   HH22  ARG  52          HH22      ARG  52 -14.396   2.844  -1.316
  366    H    MET  53           HN       MET  53  -7.560   9.125   1.609
  367    HA   MET  53           HA       MET  53  -9.801  10.506   2.910
  368    HB2  MET  53           HB2      MET  53  -7.364   9.139   4.079
  369    HB3  MET  53           HB1      MET  53  -8.537  10.040   5.028
  370    HG2  MET  53           HG2      MET  53 -10.246   8.480   4.586
  371    HG3  MET  53           HG1      MET  53  -9.311   7.704   3.309
  372    HE1  MET  53           HE1      MET  53  -8.083   7.445   7.759
  373    HE2  MET  53           HE2      MET  53  -9.458   8.401   7.207
  374    HE3  MET  53           HE3      MET  53  -7.821   8.867   6.749
  375    H    LYS  54           HN       LYS  54  -9.603  12.655   2.477
  376    HA   LYS  54           HA       LYS  54  -7.044  13.928   2.197
  377    HB2  LYS  54           HB2      LYS  54  -8.314  15.992   1.892
  378    HB3  LYS  54           HB1      LYS  54  -8.978  14.700   0.905
  379    HG2  LYS  54           HG2      LYS  54 -10.781  14.381   2.501
  380    HG3  LYS  54           HG1      LYS  54 -10.092  15.621   3.549
  381    HD2  LYS  54           HD2      LYS  54 -10.390  17.266   1.732
  382    HD3  LYS  54           HD1      LYS  54 -11.158  16.015   0.754
  383    HE2  LYS  54           HE2      LYS  54 -12.144  16.947   3.449
  384    HE3  LYS  54           HE1      LYS  54 -12.773  17.511   1.905
  385    HZ1  LYS  54           HZ1      LYS  54 -13.371  15.178   1.406
  386    HZ2  LYS  54           HZ2      LYS  54 -14.190  15.808   2.741
  387    HZ3  LYS  54           HZ3      LYS  54 -12.898  14.744   2.972
  388    H    GLU  55           HN       GLU  55  -8.139  12.708   4.826
  389    HA   GLU  55           HA       GLU  55  -6.984  14.728   6.544
  390    HB2  GLU  55           HB2      GLU  55  -9.340  15.346   6.584
  391    HB3  GLU  55           HB1      GLU  55  -9.796  13.686   6.937
  392    HG2  GLU  55           HG2      GLU  55  -9.929  15.033   8.930
  393    HG3  GLU  55           HG1      GLU  55  -8.649  13.833   9.091
  394    H    SER  56           HN       SER  56  -6.225  13.866   8.503
  395    HA   SER  56           HA       SER  56  -6.511  10.987   8.902
  396    HB2  SER  56           HB2      SER  56  -3.818  12.359   8.671
  397    HB3  SER  56           HB1      SER  56  -4.084  10.661   9.067
  398    HG   SER  56           HG       SER  56  -5.410  11.076   6.853
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1  13.576   5.378   5.594
    2    H2   GLY   1           HT2      GLY   1  14.742   6.383   6.292
    3    H3   GLY   1           HT3      GLY   1  14.893   4.702   6.410
    4    HA2  GLY   1           HA1      GLY   1  15.208   4.516   4.037
    5    HA3  GLY   1           HA2      GLY   1  15.012   6.257   3.889
    6    H    ALA   2           HN       ALA   2  16.779   7.442   3.897
    7    HA   ALA   2           HA       ALA   2  18.868   8.221   4.271
    8    HB1  ALA   2           HB1      ALA   2  20.154   7.464   6.188
    9    HB2  ALA   2           HB2      ALA   2  19.085   6.077   6.382
   10    HB3  ALA   2           HB3      ALA   2  18.467   7.708   6.636
   11    H    MET   3           HN       MET   3  19.349   4.728   4.831
   12    HA   MET   3           HA       MET   3  21.704   4.736   3.191
   13    HB2  MET   3           HB2      MET   3  21.576   3.250   5.114
   14    HB3  MET   3           HB1      MET   3  20.164   2.450   4.435
   15    HG2  MET   3           HG2      MET   3  21.544   1.690   2.538
   16    HG3  MET   3           HG1      MET   3  22.952   2.423   3.301
   17    HE1  MET   3           HE1      MET   3  22.654  -0.692   2.379
   18    HE2  MET   3           HE2      MET   3  23.519  -1.445   3.717
   19    HE3  MET   3           HE3      MET   3  24.126   0.048   3.004
   20    H    GLY   4           HN       GLY   4  18.633   2.924   2.921
   21    HA2  GLY   4           HA2      GLY   4  18.964   3.081  -0.009
   22    HA3  GLY   4           HA1      GLY   4  18.559   1.563   0.776
   23    H    MET   5           HN       MET   5  17.272   3.886  -1.011
   24    HA   MET   5           HA       MET   5  14.760   4.247   0.339
   25    HB2  MET   5           HB2      MET   5  14.028   5.330  -1.720
   26    HB3  MET   5           HB1      MET   5  15.610   5.931  -1.251
   27    HG2  MET   5           HG2      MET   5  16.646   4.433  -2.901
   28    HG3  MET   5           HG1      MET   5  15.042   3.899  -3.397
   29    HE1  MET   5           HE1      MET   5  16.276   6.122  -6.398
   30    HE2  MET   5           HE2      MET   5  15.677   4.534  -5.923
   31    HE3  MET   5           HE3      MET   5  17.263   5.076  -5.377
   32    H    ARG   6           HN       ARG   6  12.721   3.452  -0.498
   33    HA   ARG   6           HA       ARG   6  11.322   1.734  -0.975
   34    HB2  ARG   6           HB2      ARG   6  12.175   2.207  -3.282
   35    HB3  ARG   6           HB1      ARG   6  13.396   0.968  -3.040
   36    HG2  ARG   6           HG2      ARG   6  11.532  -0.667  -2.674
   37    HG3  ARG   6           HG1      ARG   6  10.415   0.601  -3.183
   38    HD2  ARG   6           HD2      ARG   6  11.003  -0.912  -5.026
   39    HD3  ARG   6           HD1      ARG   6  11.515   0.743  -5.338
   40    HE   ARG   6           HE       ARG   6  13.784   0.015  -4.673
   41   HH11  ARG   6          HH11      ARG   6  11.469  -2.404  -5.718
   42   HH12  ARG   6          HH12      ARG   6  12.687  -3.523  -6.233
   43   HH21  ARG   6          HH21      ARG   6  15.380  -1.452  -5.353
   44   HH22  ARG   6          HH22      ARG   6  14.913  -2.980  -6.033
   45    H    ASN   7           HN       ASN   7  12.906   1.346   1.191
   46    HA   ASN   7           HA       ASN   7  14.138  -1.272   1.032
   47    HB2  ASN   7           HB2      ASN   7  14.542  -0.920   3.504
   48    HB3  ASN   7           HB1      ASN   7  15.294   0.265   2.446
   49   HD21  ASN   7          HD21      ASN   7  14.502   2.390   2.429
   50   HD22  ASN   7          HD22      ASN   7  13.457   2.982   3.679
   51    H    LEU   8           HN       LEU   8  11.983  -2.008   0.243
   52    HA   LEU   8           HA       LEU   8  10.008  -2.427   2.362
   53    HB2  LEU   8           HB2      LEU   8   9.704  -3.007  -0.575
   54    HB3  LEU   8           HB1      LEU   8   8.430  -2.826   0.616
   55    HG   LEU   8           HG       LEU   8  10.232  -0.615  -0.375
   56   HD11  LEU   8          HD11      LEU   8   8.659  -1.314  -2.073
   57   HD12  LEU   8          HD12      LEU   8   8.202   0.260  -1.423
   58   HD13  LEU   8          HD13      LEU   8   7.329  -1.188  -0.922
   59   HD21  LEU   8          HD21      LEU   8   9.576  -0.264   1.936
   60   HD22  LEU   8          HD22      LEU   8   7.884  -0.524   1.511
   61   HD23  LEU   8          HD23      LEU   8   8.749   0.874   0.872
   62    H    ASP   9           HN       ASP   9  12.601  -3.901   1.753
   63    HA   ASP   9           HA       ASP   9  11.821  -6.565   1.002
   64    HB2  ASP   9           HB2      ASP   9  14.159  -7.153   1.455
   65    HB3  ASP   9           HB1      ASP   9  14.051  -5.715   0.447
   66    H    GLU  10           HN       GLU  10  10.175  -6.057   2.915
   67    HA   GLU  10           HA       GLU  10  10.811  -7.853   5.033
   68    HB2  GLU  10           HB2      GLU  10  10.439  -6.177   6.867
   69    HB3  GLU  10           HB1      GLU  10  11.950  -5.979   5.990
   70    HG2  GLU  10           HG2      GLU  10  10.921  -4.182   4.666
   71    HG3  GLU  10           HG1      GLU  10   9.445  -4.356   5.612
   72    H    CYS  11           HN       CYS  11   8.725  -6.003   3.168
   73    HA   CYS  11           HA       CYS  11   6.335  -6.321   4.691
   74    HB2  CYS  11           HB2      CYS  11   6.630  -4.541   3.040
   75    HB3  CYS  11           HB1      CYS  11   6.785  -5.733   1.764
   76    H    GLU  12           HN       GLU  12   5.835  -8.354   5.192
   77    HA   GLU  12           HA       GLU  12   6.459 -10.615   3.632
   78    HB2  GLU  12           HB2      GLU  12   4.415 -10.369   5.836
   79    HB3  GLU  12           HB1      GLU  12   5.144 -11.858   5.256
   80    HG2  GLU  12           HG2      GLU  12   6.513  -9.609   6.707
   81    HG3  GLU  12           HG1      GLU  12   6.186 -11.231   7.316
   82    H    VAL  13           HN       VAL  13   3.613  -8.619   3.919
   83    HA   VAL  13           HA       VAL  13   1.853 -10.366   2.561
   84    HB   VAL  13           HB       VAL  13   0.936  -8.672   3.990
   85   HG11  VAL  13          HG11      VAL  13   2.043  -6.624   2.093
   86   HG12  VAL  13          HG12      VAL  13   2.684  -6.990   3.693
   87   HG13  VAL  13          HG13      VAL  13   1.067  -6.314   3.528
   88   HG21  VAL  13          HG21      VAL  13   0.232  -8.067   1.127
   89   HG22  VAL  13          HG22      VAL  13  -0.752  -7.677   2.537
   90   HG23  VAL  13          HG23      VAL  13  -0.454  -9.363   2.108
   91    H    CYS  14           HN       CYS  14   4.111  -7.914   1.428
   92    HA   CYS  14           HA       CYS  14   3.212  -7.844  -1.250
   93    HB2  CYS  14           HB2      CYS  14   5.620  -6.985   0.193
   94    HB3  CYS  14           HB1      CYS  14   5.904  -7.426  -1.487
   95    H    ARG  15           HN       ARG  15   5.322 -10.026   0.499
   96    HA   ARG  15           HA       ARG  15   6.332 -11.425  -1.750
   97    HB2  ARG  15           HB2      ARG  15   5.869 -12.651   0.959
   98    HB3  ARG  15           HB1      ARG  15   7.076 -13.102  -0.233
   99    HG2  ARG  15           HG2      ARG  15   8.125 -10.843   0.144
  100    HG3  ARG  15           HG1      ARG  15   7.031 -10.662   1.518
  101    HD2  ARG  15           HD2      ARG  15   7.974 -13.049   2.130
  102    HD3  ARG  15           HD1      ARG  15   9.332 -12.513   1.147
  103    HE   ARG  15           HE       ARG  15   8.453 -11.385   3.706
  104   HH11  ARG  15          HH11      ARG  15  10.723 -11.327   1.036
  105   HH12  ARG  15          HH12      ARG  15  11.926 -10.448   1.918
  106   HH21  ARG  15          HH21      ARG  15  10.032 -10.253   4.874
  107   HH22  ARG  15          HH22      ARG  15  11.540  -9.838   4.109
  108    H    ASP  16           HN       ASP  16   3.495 -11.735   0.241
  109    HA   ASP  16           HA       ASP  16   2.542 -14.179  -0.858
  110    HB2  ASP  16           HB2      ASP  16   1.831 -13.426   1.345
  111    HB3  ASP  16           HB1      ASP  16   1.121 -11.974   0.655
  112    H    GLY  17           HN       GLY  17   2.706 -11.053  -2.082
  113    HA2  GLY  17           HA2      GLY  17   2.072 -10.398  -4.240
  114    HA3  GLY  17           HA1      GLY  17   0.970 -11.770  -4.308
  115    H    GLY  18           HN       GLY  18   0.885  -9.889  -1.468
  116    HA2  GLY  18           HA2      GLY  18  -1.810  -9.250  -1.627
  117    HA3  GLY  18           HA1      GLY  18  -0.652  -8.453  -0.579
  118    H    GLU  19           HN       GLU  19  -2.915  -7.308  -1.911
  119    HA   GLU  19           HA       GLU  19  -1.839  -5.787  -4.138
  120    HB2  GLU  19           HB2      GLU  19  -4.601  -5.815  -2.907
  121    HB3  GLU  19           HB1      GLU  19  -4.146  -4.969  -4.383
  122    HG2  GLU  19           HG2      GLU  19  -3.689  -7.019  -5.506
  123    HG3  GLU  19           HG1      GLU  19  -3.883  -7.939  -4.016
  124    H    LEU  20           HN       LEU  20  -1.694  -3.564  -4.177
  125    HA   LEU  20           HA       LEU  20  -1.309  -2.412  -1.504
  126    HB2  LEU  20           HB2      LEU  20   0.510  -2.777  -3.458
  127    HB3  LEU  20           HB1      LEU  20  -0.074  -1.187  -3.906
  128    HG   LEU  20           HG       LEU  20   0.985  -1.844  -1.156
  129   HD11  LEU  20          HD11      LEU  20   2.415  -0.657  -3.532
  130   HD12  LEU  20          HD12      LEU  20   2.747  -2.216  -2.777
  131   HD13  LEU  20          HD13      LEU  20   3.049  -0.722  -1.889
  132   HD21  LEU  20          HD21      LEU  20   0.536   0.785  -2.572
  133   HD22  LEU  20          HD22      LEU  20   1.212   0.576  -0.957
  134   HD23  LEU  20          HD23      LEU  20  -0.463   0.127  -1.277
  135    H    PHE  21           HN       PHE  21  -2.389  -0.571  -0.961
  136    HA   PHE  21           HA       PHE  21  -4.137   0.585  -3.040
  137    HB2  PHE  21           HB2      PHE  21  -4.540   0.512  -0.032
  138    HB3  PHE  21           HB1      PHE  21  -5.646   1.242  -1.192
  139    HD1  PHE  21           HD2      PHE  21  -6.782  -0.249  -2.887
  140    HD2  PHE  21           HD1      PHE  21  -4.640  -1.791   0.460
  141    HE1  PHE  21           HE2      PHE  21  -7.930  -2.409  -3.145
  142    HE2  PHE  21           HE1      PHE  21  -5.785  -3.952   0.199
  143    HZ   PHE  21           HZ       PHE  21  -7.431  -4.263  -1.604
  144    H    CYS  22           HN       CYS  22  -1.637   1.552  -3.088
  145    HA   CYS  22           HA       CYS  22  -1.970   4.297  -2.231
  146    HB2  CYS  22           HB2      CYS  22   0.032   2.449  -1.008
  147    HB3  CYS  22           HB1      CYS  22   0.504   4.120  -1.298
  148    H    CYS  23           HN       CYS  23  -0.545   5.748  -3.251
  149    HA   CYS  23           HA       CYS  23   0.424   5.015  -5.825
  150    HB2  CYS  23           HB2      CYS  23   1.197   7.514  -4.312
  151    HB3  CYS  23           HB1      CYS  23   1.038   7.304  -6.057
  152    H    ASP  24           HN       ASP  24   2.795   5.635  -6.449
  153    HA   ASP  24           HA       ASP  24   4.603   3.981  -5.119
  154    HB2  ASP  24           HB2      ASP  24   5.191   6.420  -6.815
  155    HB3  ASP  24           HB1      ASP  24   6.393   5.239  -6.316
  156    H    THR  25           HN       THR  25   4.224   7.508  -4.880
  157    HA   THR  25           HA       THR  25   6.242   7.965  -2.989
  158    HB   THR  25           HB       THR  25   4.852  10.056  -2.494
  159    HG1  THR  25           HG1      THR  25   3.201  10.357  -4.198
  160   HG21  THR  25          HG21      THR  25   5.367  11.069  -4.667
  161   HG22  THR  25          HG22      THR  25   5.595   9.465  -5.362
  162   HG23  THR  25          HG23      THR  25   6.692  10.048  -4.112
  163    H    CYS  26           HN       CYS  26   2.750   7.595  -2.590
  164    HA   CYS  26           HA       CYS  26   2.647   7.823   0.192
  165    HB2  CYS  26           HB2      CYS  26   0.794   6.270  -1.633
  166    HB3  CYS  26           HB1      CYS  26   0.409   6.838  -0.012
  167    H    SER  27           HN       SER  27   3.201   5.035  -1.885
  168    HA   SER  27           HA       SER  27   3.000   3.077   0.171
  169    HB2  SER  27           HB2      SER  27   2.658   2.526  -2.191
  170    HB3  SER  27           HB1      SER  27   4.331   2.953  -2.546
  171    HG   SER  27           HG       SER  27   4.499   0.841  -2.251
  172    H    ARG  28           HN       ARG  28   5.678   4.895  -1.243
  173    HA   ARG  28           HA       ARG  28   7.774   3.337  -0.229
  174    HB2  ARG  28           HB2      ARG  28   7.577   6.191  -1.121
  175    HB3  ARG  28           HB1      ARG  28   9.085   5.540  -0.493
  176    HG2  ARG  28           HG2      ARG  28   9.238   3.960  -2.255
  177    HG3  ARG  28           HG1      ARG  28   7.588   4.293  -2.784
  178    HD2  ARG  28           HD2      ARG  28   9.254   5.346  -4.245
  179    HD3  ARG  28           HD1      ARG  28   8.222   6.534  -3.448
  180    HE   ARG  28           HE       ARG  28  10.212   6.646  -1.799
  181   HH11  ARG  28          HH11      ARG  28  10.450   6.182  -5.259
  182   HH12  ARG  28          HH12      ARG  28  11.997   6.959  -5.382
  183   HH21  ARG  28          HH21      ARG  28  12.224   7.691  -1.954
  184   HH22  ARG  28          HH22      ARG  28  13.011   7.812  -3.498
  185    H    VAL  29           HN       VAL  29   5.815   5.760   1.289
  186    HA   VAL  29           HA       VAL  29   7.654   5.850   3.559
  187    HB   VAL  29           HB       VAL  29   6.251   7.818   4.308
  188   HG11  VAL  29          HG11      VAL  29   7.349   9.349   2.738
  189   HG12  VAL  29          HG12      VAL  29   7.702   7.990   1.668
  190   HG13  VAL  29          HG13      VAL  29   8.439   8.069   3.269
  191   HG21  VAL  29          HG21      VAL  29   4.268   7.360   2.956
  192   HG22  VAL  29          HG22      VAL  29   5.210   7.600   1.484
  193   HG23  VAL  29          HG23      VAL  29   4.936   8.950   2.586
  194    H    PHE  30           HN       PHE  30   4.246   5.162   2.799
  195    HA   PHE  30           HA       PHE  30   3.946   4.236   5.594
  196    HB2  PHE  30           HB2      PHE  30   1.630   4.937   3.800
  197    HB3  PHE  30           HB1      PHE  30   1.652   4.792   5.551
  198    HD1  PHE  30           HD2      PHE  30   3.620   6.483   6.555
  199    HD2  PHE  30           HD1      PHE  30   1.226   7.090   3.086
  200    HE1  PHE  30           HE2      PHE  30   3.950   8.910   6.757
  201    HE2  PHE  30           HE1      PHE  30   1.560   9.520   3.281
  202    HZ   PHE  30           HZ       PHE  30   2.819  10.443   5.102
  203    H    HIS  31           HN       HIS  31   5.117   2.565   3.751
  204    HA   HIS  31           HA       HIS  31   3.562   1.135   1.998
  205    HB2  HIS  31           HB2      HIS  31   6.075   1.078   2.297
  206    HB3  HIS  31           HB1      HIS  31   5.809  -0.073   3.599
  207    HD1  HIS  31           HD1      HIS  31   4.457   0.098   0.011
  208    HD2  HIS  31           HD2      HIS  31   6.363  -2.493   2.646
  209    HE1  HIS  31           HE1      HIS  31   4.754  -2.096  -1.226
  210    H    GLU  32           HN       GLU  32   4.169   0.320   5.410
  211    HA   GLU  32           HA       GLU  32   2.865  -2.188   5.297
  212    HB2  GLU  32           HB2      GLU  32   3.474  -0.388   7.644
  213    HB3  GLU  32           HB1      GLU  32   2.900  -2.046   7.786
  214    HG2  GLU  32           HG2      GLU  32   4.885  -2.905   6.820
  215    HG3  GLU  32           HG1      GLU  32   5.419  -1.299   6.331
  216    H    ASP  33           HN       ASP  33   1.832   0.969   6.497
  217    HA   ASP  33           HA       ASP  33  -0.798   0.208   7.172
  218    HB2  ASP  33           HB2      ASP  33   0.434   2.884   6.565
  219    HB3  ASP  33           HB1      ASP  33  -1.265   2.712   6.993
  220    H    CYS  34           HN       CYS  34   0.690   0.950   4.171
  221    HA   CYS  34           HA       CYS  34  -1.738   1.583   2.777
  222    HB2  CYS  34           HB2      CYS  34   1.118   1.174   1.980
  223    HB3  CYS  34           HB1      CYS  34  -0.141   1.272   0.750
  224    H    HIS  35           HN       HIS  35  -0.494  -1.304   3.888
  225    HA   HIS  35           HA       HIS  35  -1.750  -2.840   1.712
  226    HB2  HIS  35           HB2      HIS  35   0.241  -3.612   3.835
  227    HB3  HIS  35           HB1      HIS  35  -0.678  -4.823   2.949
  228    HD1  HIS  35           HD1      HIS  35   0.007  -5.253   0.483
  229    HD2  HIS  35           HD2      HIS  35   2.148  -2.220   2.341
  230    HE1  HIS  35           HE1      HIS  35   1.963  -4.733  -1.034
  231    H    ILE  36           HN       ILE  36  -2.716  -1.454   4.460
  232    HA   ILE  36           HA       ILE  36  -4.584  -3.631   5.066
  233    HB   ILE  36           HB       ILE  36  -4.431  -3.070   7.498
  234   HG12  ILE  36          HG12      ILE  36  -1.925  -1.620   6.629
  235   HG13  ILE  36          HG11      ILE  36  -3.380  -0.864   7.268
  236   HG21  ILE  36          HG21      ILE  36  -1.938  -4.152   6.195
  237   HG22  ILE  36          HG22      ILE  36  -3.383  -5.067   6.620
  238   HG23  ILE  36          HG23      ILE  36  -2.381  -4.365   7.888
  239   HD11  ILE  36          HD11      ILE  36  -1.672  -1.002   8.969
  240   HD12  ILE  36          HD12      ILE  36  -1.557  -2.747   8.742
  241   HD13  ILE  36          HD13      ILE  36  -3.035  -2.037   9.390
  242    HA   PRO  37           HA       PRO  37  -6.165  -3.985   6.367
  243    HB2  PRO  37           HB2      PRO  37  -8.979  -3.809   5.776
  244    HB3  PRO  37           HB1      PRO  37  -8.203  -3.943   7.357
  245    HG2  PRO  37           HG2      PRO  37  -9.558  -1.718   6.481
  246    HG3  PRO  37           HG1      PRO  37  -8.299  -1.694   7.729
  247    HD2  PRO  37           HD2      PRO  37  -8.108  -0.981   4.826
  248    HD3  PRO  37           HD1      PRO  37  -7.344  -0.208   6.232
  249    HA   PRO  38           HA       PRO  38  -6.402  -5.646   2.198
  250    HB2  PRO  38           HB2      PRO  38  -6.754  -8.291   3.375
  251    HB3  PRO  38           HB1      PRO  38  -5.375  -7.651   2.477
  252    HG2  PRO  38           HG2      PRO  38  -5.271  -8.190   5.135
  253    HG3  PRO  38           HG1      PRO  38  -4.317  -6.902   4.373
  254    HD2  PRO  38           HD2      PRO  38  -6.872  -6.695   5.936
  255    HD3  PRO  38           HD1      PRO  38  -5.432  -5.651   5.983
  256    H    VAL  39           HN       VAL  39  -8.712  -4.518   2.819
  257    HA   VAL  39           HA       VAL  39 -10.810  -6.553   2.738
  258    HB   VAL  39           HB       VAL  39 -11.110  -4.857   4.444
  259   HG11  VAL  39          HG11      VAL  39  -9.859  -3.025   3.530
  260   HG12  VAL  39          HG12      VAL  39 -11.508  -2.491   3.853
  261   HG13  VAL  39          HG13      VAL  39 -11.004  -2.851   2.202
  262   HG21  VAL  39          HG21      VAL  39 -13.119  -5.745   3.398
  263   HG22  VAL  39          HG22      VAL  39 -13.072  -4.460   2.192
  264   HG23  VAL  39          HG23      VAL  39 -13.349  -4.067   3.887
  265    H    GLU  40           HN       GLU  40 -11.673  -7.101   0.852
  266    HA   GLU  40           HA       GLU  40 -10.854  -5.669  -1.523
  267    HB2  GLU  40           HB2      GLU  40 -11.984  -7.575  -2.709
  268    HB3  GLU  40           HB1      GLU  40 -10.684  -8.051  -1.625
  269    HG2  GLU  40           HG2      GLU  40 -12.254  -8.755   0.039
  270    HG3  GLU  40           HG1      GLU  40 -13.602  -8.131  -0.908
  271    H    ALA  41           HN       ALA  41 -13.049  -4.751   0.450
  272    HA   ALA  41           HA       ALA  41 -15.474  -4.705  -1.033
  273    HB1  ALA  41           HB1      ALA  41 -15.432  -4.396   1.396
  274    HB2  ALA  41           HB2      ALA  41 -16.228  -3.048   0.586
  275    HB3  ALA  41           HB3      ALA  41 -14.580  -2.866   1.187
  276    H    GLU  42           HN       GLU  42 -12.596  -2.811  -1.073
  277    HA   GLU  42           HA       GLU  42 -13.752  -1.151  -3.208
  278    HB2  GLU  42           HB2      GLU  42 -11.872  -0.201  -1.031
  279    HB3  GLU  42           HB1      GLU  42 -12.364   0.751  -2.424
  280    HG2  GLU  42           HG2      GLU  42 -14.697   0.619  -1.662
  281    HG3  GLU  42           HG1      GLU  42 -14.161  -0.275  -0.241
  282    H    ARG  43           HN       ARG  43 -12.483  -3.486  -3.717
  283    HA   ARG  43           HA       ARG  43  -9.651  -3.254  -3.976
  284    HB2  ARG  43           HB2      ARG  43 -10.803  -5.425  -3.733
  285    HB3  ARG  43           HB1      ARG  43 -11.557  -5.190  -5.303
  286    HG2  ARG  43           HG2      ARG  43  -9.287  -5.135  -6.315
  287    HG3  ARG  43           HG1      ARG  43  -8.628  -5.554  -4.731
  288    HD2  ARG  43           HD2      ARG  43 -10.021  -7.595  -4.733
  289    HD3  ARG  43           HD1      ARG  43 -10.571  -7.186  -6.357
  290    HE   ARG  43           HE       ARG  43  -7.701  -7.333  -6.086
  291   HH11  ARG  43          HH11      ARG  43 -10.629  -9.155  -6.731
  292   HH12  ARG  43          HH12      ARG  43  -9.803 -10.421  -7.582
  293   HH21  ARG  43          HH21      ARG  43  -6.621  -8.976  -7.211
  294   HH22  ARG  43          HH22      ARG  43  -7.508 -10.321  -7.854
  295    H    THR  44           HN       THR  44 -12.330  -2.315  -5.922
  296    HA   THR  44           HA       THR  44 -10.484  -1.742  -8.139
  297    HB   THR  44           HB       THR  44 -12.199  -3.456  -8.718
  298    HG1  THR  44           HG1      THR  44 -13.096  -1.470 -10.341
  299   HG21  THR  44          HG21      THR  44 -14.159  -1.197  -8.289
  300   HG22  THR  44          HG22      THR  44 -14.040  -2.662  -7.319
  301   HG23  THR  44          HG23      THR  44 -14.539  -2.761  -9.006
  302    HA   PRO  45           HA       PRO  45 -10.598  -0.688  -9.965
  303    HB2  PRO  45           HB2      PRO  45  -9.462   1.495 -11.038
  304    HB3  PRO  45           HB1      PRO  45 -11.175   1.120 -11.290
  305    HG2  PRO  45           HG2      PRO  45  -9.910   3.090  -9.425
  306    HG3  PRO  45           HG1      PRO  45 -11.392   3.253 -10.393
  307    HD2  PRO  45           HD2      PRO  45 -11.312   2.619  -7.694
  308    HD3  PRO  45           HD1      PRO  45 -12.671   2.261  -8.777
  309    H    TRP  46           HN       TRP  46  -9.424   1.289  -7.393
  310    HA   TRP  46           HA       TRP  46  -7.019  -0.149  -7.075
  311    HB2  TRP  46           HB2      TRP  46  -6.168   1.025  -8.983
  312    HB3  TRP  46           HB1      TRP  46  -6.839   2.551  -8.427
  313    HD1  TRP  46           HD1      TRP  46  -4.219   0.020  -7.035
  314    HE1  TRP  46           HE1      TRP  46  -2.254   1.383  -6.088
  315    HE3  TRP  46           HE3      TRP  46  -6.000   4.720  -7.946
  316    HZ2  TRP  46           HZ2      TRP  46  -1.559   4.112  -5.772
  317    HZ3  TRP  46           HZ3      TRP  46  -4.629   6.651  -7.295
  318    HH2  TRP  46           HH2      TRP  46  -2.457   6.354  -6.233
  319    H    ASN  47           HN       ASN  47  -7.642   3.322  -6.683
  320    HA   ASN  47           HA       ASN  47  -8.176   4.620  -4.912
  321    HB2  ASN  47           HB2      ASN  47  -8.889   1.989  -3.606
  322    HB3  ASN  47           HB1      ASN  47  -9.207   3.568  -2.892
  323   HD21  ASN  47          HD21      ASN  47 -10.990   1.375  -3.815
  324   HD22  ASN  47          HD22      ASN  47 -12.106   2.145  -4.895
  325    H    CYS  48           HN       CYS  48  -6.595   5.691  -3.943
  326    HA   CYS  48           HA       CYS  48  -4.657   4.213  -2.307
  327    HB2  CYS  48           HB2      CYS  48  -3.646   5.705  -3.939
  328    HB3  CYS  48           HB1      CYS  48  -4.609   7.052  -3.352
  329    H    ILE  49           HN       ILE  49  -5.213   4.019  -0.260
  330    HA   ILE  49           HA       ILE  49  -7.375   5.433   0.870
  331    HB   ILE  49           HB       ILE  49  -6.731   4.360   3.024
  332   HG12  ILE  49          HG12      ILE  49  -4.478   3.173   1.379
  333   HG13  ILE  49          HG11      ILE  49  -4.297   4.316   2.705
  334   HG21  ILE  49          HG21      ILE  49  -6.917   2.590   0.590
  335   HG22  ILE  49          HG22      ILE  49  -8.251   3.232   1.543
  336   HG23  ILE  49          HG23      ILE  49  -7.158   2.044   2.246
  337   HD11  ILE  49          HD11      ILE  49  -5.276   2.639   4.225
  338   HD12  ILE  49          HD12      ILE  49  -3.776   2.107   3.469
  339   HD13  ILE  49          HD13      ILE  49  -5.322   1.495   2.882
  340    H    PHE  50           HN       PHE  50  -3.899   5.940   1.076
  341    HA   PHE  50           HA       PHE  50  -4.130   7.859   3.182
  342    HB2  PHE  50           HB2      PHE  50  -1.903   6.854   1.495
  343    HB3  PHE  50           HB1      PHE  50  -1.700   8.438   2.247
  344    HD1  PHE  50           HD2      PHE  50  -2.162   4.843   2.883
  345    HD2  PHE  50           HD1      PHE  50  -1.481   8.673   4.623
  346    HE1  PHE  50           HE2      PHE  50  -1.603   3.772   5.023
  347    HE2  PHE  50           HE1      PHE  50  -0.922   7.604   6.763
  348    HZ   PHE  50           HZ       PHE  50  -0.984   5.154   6.967
  349    H    CYS  51           HN       CYS  51  -4.190   8.065  -0.318
  350    HA   CYS  51           HA       CYS  51  -3.869  10.896  -0.394
  351    HB2  CYS  51           HB2      CYS  51  -4.693   8.823  -2.360
  352    HB3  CYS  51           HB1      CYS  51  -5.176  10.483  -2.689
  353    H    ARG  52           HN       ARG  52  -6.551   8.792   0.228
  354    HA   ARG  52           HA       ARG  52  -8.623  10.697  -0.163
  355    HB2  ARG  52           HB2      ARG  52  -8.493   8.166   1.473
  356    HB3  ARG  52           HB1      ARG  52  -9.952   9.132   1.306
  357    HG2  ARG  52           HG2      ARG  52  -9.919   8.770  -1.110
  358    HG3  ARG  52           HG1      ARG  52  -8.451   7.804  -0.945
  359    HD2  ARG  52           HD2      ARG  52  -9.592   6.128   0.284
  360    HD3  ARG  52           HD1      ARG  52 -11.015   7.149   0.486
  361    HE   ARG  52           HE       ARG  52 -10.559   6.769  -2.258
  362   HH11  ARG  52          HH11      ARG  52 -11.476   4.901   0.554
  363   HH12  ARG  52          HH12      ARG  52 -12.532   3.837  -0.334
  364   HH21  ARG  52          HH21      ARG  52 -11.925   5.360  -3.435
  365   HH22  ARG  52          HH22      ARG  52 -12.781   4.102  -2.602
  366    H    MET  53           HN       MET  53  -6.210  10.425   2.155
  367    HA   MET  53           HA       MET  53  -7.546  12.469   3.774
  368    HB2  MET  53           HB2      MET  53  -6.368  11.490   5.798
  369    HB3  MET  53           HB1      MET  53  -7.720  10.557   5.176
  370    HG2  MET  53           HG2      MET  53  -6.152   9.055   4.045
  371    HG3  MET  53           HG1      MET  53  -4.804   9.986   4.696
  372    HE1  MET  53           HE1      MET  53  -5.393   6.772   5.010
  373    HE2  MET  53           HE2      MET  53  -4.863   6.525   6.675
  374    HE3  MET  53           HE3      MET  53  -3.914   7.539   5.589
  375    H    LYS  54           HN       LYS  54  -6.039  13.209   1.775
  376    HA   LYS  54           HA       LYS  54  -3.794  14.500   3.005
  377    HB2  LYS  54           HB2      LYS  54  -2.857  12.264   2.369
  378    HB3  LYS  54           HB1      LYS  54  -3.257  12.621   0.696
  379    HG2  LYS  54           HG2      LYS  54  -0.910  13.032   1.107
  380    HG3  LYS  54           HG1      LYS  54  -1.741  14.546   0.746
  381    HD2  LYS  54           HD2      LYS  54  -0.164  14.808   2.604
  382    HD3  LYS  54           HD1      LYS  54  -1.827  15.085   3.120
  383    HE2  LYS  54           HE2      LYS  54  -1.921  12.811   4.029
  384    HE3  LYS  54           HE1      LYS  54  -0.255  12.539   3.517
  385    HZ1  LYS  54           HZ1      LYS  54  -0.428  13.121   5.868
  386    HZ2  LYS  54           HZ2      LYS  54  -1.129  14.605   5.464
  387    HZ3  LYS  54           HZ3      LYS  54   0.465  14.272   5.011
  388    H    GLU  55           HN       GLU  55  -5.034  13.550  -0.182
  389    HA   GLU  55           HA       GLU  55  -4.846  16.360  -1.026
  390    HB2  GLU  55           HB2      GLU  55  -4.861  13.810  -2.647
  391    HB3  GLU  55           HB1      GLU  55  -4.976  15.412  -3.356
  392    HG2  GLU  55           HG2      GLU  55  -2.668  14.364  -1.728
  393    HG3  GLU  55           HG1      GLU  55  -2.710  14.541  -3.481
  394    H    SER  56           HN       SER  56  -6.740  17.365  -0.836
  395    HA   SER  56           HA       SER  56  -9.207  15.827  -1.033
  396    HB2  SER  56           HB2      SER  56  -8.804  18.717  -0.222
  397    HB3  SER  56           HB1      SER  56 -10.289  17.780  -0.055
  398    HG   SER  56           HG       SER  56  -8.671  18.018   1.814
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1  15.250   3.694   5.173
    2    H2   GLY   1           HT2      GLY   1  13.636   3.257   5.425
    3    H3   GLY   1           HT3      GLY   1  14.007   4.628   4.509
    4    HA2  GLY   1           HA1      GLY   1  15.071   3.240   2.830
    5    HA3  GLY   1           HA2      GLY   1  14.624   1.824   3.773
    6    H    ALA   2           HN       ALA   2  13.524   1.150   1.811
    7    HA   ALA   2           HA       ALA   2  11.642   0.725   0.618
    8    HB1  ALA   2           HB1      ALA   2  10.245   2.183   2.859
    9    HB2  ALA   2           HB2      ALA   2  10.645   0.466   2.841
   10    HB3  ALA   2           HB3      ALA   2   9.485   1.113   1.680
   11    H    MET   3           HN       MET   3  13.122   3.246   0.151
   12    HA   MET   3           HA       MET   3  10.942   4.836  -1.039
   13    HB2  MET   3           HB2      MET   3  13.728   5.673  -0.216
   14    HB3  MET   3           HB1      MET   3  12.621   6.694  -1.122
   15    HG2  MET   3           HG2      MET   3  11.051   6.692   0.715
   16    HG3  MET   3           HG1      MET   3  12.068   5.569   1.615
   17    HE1  MET   3           HE1      MET   3  13.304   9.909   0.629
   18    HE2  MET   3           HE2      MET   3  11.770   9.195   0.135
   19    HE3  MET   3           HE3      MET   3  13.277   8.623  -0.575
   20    H    GLY   4           HN       GLY   4  14.398   4.184  -1.637
   21    HA2  GLY   4           HA2      GLY   4  13.811   4.085  -4.518
   22    HA3  GLY   4           HA1      GLY   4  15.407   4.277  -3.802
   23    H    MET   5           HN       MET   5  13.379   1.993  -2.333
   24    HA   MET   5           HA       MET   5  14.552  -0.243  -3.811
   25    HB2  MET   5           HB2      MET   5  16.009   0.174  -1.883
   26    HB3  MET   5           HB1      MET   5  14.625   0.098  -0.804
   27    HG2  MET   5           HG2      MET   5  14.289  -2.252  -1.436
   28    HG3  MET   5           HG1      MET   5  15.720  -2.162  -2.461
   29    HE1  MET   5           HE1      MET   5  16.943  -4.370   0.519
   30    HE2  MET   5           HE2      MET   5  16.872  -4.218  -1.236
   31    HE3  MET   5           HE3      MET   5  15.383  -4.377  -0.302
   32    H    ARG   6           HN       ARG   6  12.826  -1.318  -4.531
   33    HA   ARG   6           HA       ARG   6  10.362  -1.319  -2.990
   34    HB2  ARG   6           HB2      ARG   6  11.083  -2.161  -5.776
   35    HB3  ARG   6           HB1      ARG   6   9.576  -2.695  -5.051
   36    HG2  ARG   6           HG2      ARG   6  10.359   0.198  -5.244
   37    HG3  ARG   6           HG1      ARG   6   9.446  -0.643  -6.497
   38    HD2  ARG   6           HD2      ARG   6   8.614  -0.304  -3.613
   39    HD3  ARG   6           HD1      ARG   6   7.961   0.576  -4.993
   40    HE   ARG   6           HE       ARG   6   7.749  -2.334  -5.043
   41   HH11  ARG   6          HH11      ARG   6   6.174   0.743  -4.472
   42   HH12  ARG   6          HH12      ARG   6   4.572   0.099  -4.651
   43   HH21  ARG   6          HH21      ARG   6   5.641  -3.184  -5.274
   44   HH22  ARG   6          HH22      ARG   6   4.267  -2.136  -5.103
   45    H    ASN   7           HN       ASN   7  13.062  -3.354  -3.463
   46    HA   ASN   7           HA       ASN   7  11.752  -5.831  -2.875
   47    HB2  ASN   7           HB2      ASN   7  13.906  -5.860  -4.021
   48    HB3  ASN   7           HB1      ASN   7  14.671  -5.053  -2.655
   49   HD21  ASN   7          HD21      ASN   7  13.207  -8.041  -3.760
   50   HD22  ASN   7          HD22      ASN   7  13.904  -9.049  -2.541
   51    H    LEU   8           HN       LEU   8  10.530  -5.626  -1.067
   52    HA   LEU   8           HA       LEU   8  11.954  -4.947   1.407
   53    HB2  LEU   8           HB2      LEU   8   9.016  -4.685   0.784
   54    HB3  LEU   8           HB1      LEU   8   9.774  -4.265   2.309
   55    HG   LEU   8           HG       LEU   8  10.336  -2.936  -0.345
   56   HD11  LEU   8          HD11      LEU   8   9.195  -1.012   0.590
   57   HD12  LEU   8          HD12      LEU   8   8.829  -1.924   2.055
   58   HD13  LEU   8          HD13      LEU   8   8.119  -2.408   0.514
   59   HD21  LEU   8          HD21      LEU   8  11.585  -1.305   1.005
   60   HD22  LEU   8          HD22      LEU   8  12.295  -2.916   1.073
   61   HD23  LEU   8          HD23      LEU   8  11.341  -2.316   2.429
   62    H    ASP   9           HN       ASP   9  11.736  -6.240   3.173
   63    HA   ASP   9           HA       ASP   9  10.671  -8.923   2.596
   64    HB2  ASP   9           HB2      ASP   9  13.072  -8.112   4.229
   65    HB3  ASP   9           HB1      ASP   9  12.403  -9.740   4.232
   66    H    GLU  10           HN       GLU  10  10.336  -6.215   4.562
   67    HA   GLU  10           HA       GLU  10   9.385  -7.665   6.881
   68    HB2  GLU  10           HB2      GLU  10   9.319  -4.708   6.267
   69    HB3  GLU  10           HB1      GLU  10   8.902  -5.440   7.811
   70    HG2  GLU  10           HG2      GLU  10  11.213  -6.309   7.966
   71    HG3  GLU  10           HG1      GLU  10  11.604  -5.435   6.487
   72    H    CYS  11           HN       CYS  11   8.177  -6.876   3.915
   73    HA   CYS  11           HA       CYS  11   5.426  -6.641   4.903
   74    HB2  CYS  11           HB2      CYS  11   6.221  -4.862   3.342
   75    HB3  CYS  11           HB1      CYS  11   6.426  -6.097   2.110
   76    H    GLU  12           HN       GLU  12   5.020  -8.758   5.320
   77    HA   GLU  12           HA       GLU  12   5.748 -10.886   3.603
   78    HB2  GLU  12           HB2      GLU  12   3.651 -10.802   5.766
   79    HB3  GLU  12           HB1      GLU  12   4.305 -12.259   5.029
   80    HG2  GLU  12           HG2      GLU  12   6.537 -11.647   5.858
   81    HG3  GLU  12           HG1      GLU  12   5.833 -10.241   6.654
   82    H    VAL  13           HN       VAL  13   3.012  -8.773   3.756
   83    HA   VAL  13           HA       VAL  13   1.276 -10.377   2.206
   84    HB   VAL  13           HB       VAL  13   0.260  -8.702   3.539
   85   HG11  VAL  13          HG11      VAL  13   1.790  -6.633   1.992
   86   HG12  VAL  13          HG12      VAL  13   2.126  -7.139   3.646
   87   HG13  VAL  13          HG13      VAL  13   0.609  -6.331   3.262
   88   HG21  VAL  13          HG21      VAL  13  -1.116  -7.488   1.936
   89   HG22  VAL  13          HG22      VAL  13  -0.865  -9.157   1.422
   90   HG23  VAL  13          HG23      VAL  13   0.043  -7.852   0.658
   91    H    CYS  14           HN       CYS  14   3.601  -7.817   1.306
   92    HA   CYS  14           HA       CYS  14   3.009  -7.905  -1.464
   93    HB2  CYS  14           HB2      CYS  14   5.308  -6.944   0.154
   94    HB3  CYS  14           HB1      CYS  14   5.595  -7.249  -1.554
   95    H    ARG  15           HN       ARG  15   5.076  -9.780   0.611
   96    HA   ARG  15           HA       ARG  15   6.419 -11.238  -1.400
   97    HB2  ARG  15           HB2      ARG  15   7.183 -11.063   0.947
   98    HB3  ARG  15           HB1      ARG  15   5.817 -12.050   1.444
   99    HG2  ARG  15           HG2      ARG  15   6.672 -13.913   0.142
  100    HG3  ARG  15           HG1      ARG  15   8.037 -12.930  -0.389
  101    HD2  ARG  15           HD2      ARG  15   8.711 -12.667   1.978
  102    HD3  ARG  15           HD1      ARG  15   7.401 -13.753   2.440
  103    HE   ARG  15           HE       ARG  15   9.081 -14.959   0.490
  104   HH11  ARG  15          HH11      ARG  15   8.951 -14.140   3.892
  105   HH12  ARG  15          HH12      ARG  15  10.001 -15.434   4.369
  106   HH21  ARG  15          HH21      ARG  15  10.467 -16.652   1.109
  107   HH22  ARG  15          HH22      ARG  15  10.871 -16.863   2.782
  108    H    ASP  16           HN       ASP  16   3.449 -11.769   0.395
  109    HA   ASP  16           HA       ASP  16   2.782 -14.231  -0.854
  110    HB2  ASP  16           HB2      ASP  16   1.848 -13.603   1.304
  111    HB3  ASP  16           HB1      ASP  16   1.063 -12.203   0.588
  112    H    GLY  17           HN       GLY  17   2.698 -11.030  -1.967
  113    HA2  GLY  17           HA2      GLY  17   2.254 -10.454  -4.214
  114    HA3  GLY  17           HA1      GLY  17   1.257 -11.895  -4.362
  115    H    GLY  18           HN       GLY  18   0.663 -10.129  -1.548
  116    HA2  GLY  18           HA2      GLY  18  -2.005  -9.540  -2.183
  117    HA3  GLY  18           HA1      GLY  18  -1.113  -8.872  -0.830
  118    H    GLU  19           HN       GLU  19  -3.054  -7.467  -2.225
  119    HA   GLU  19           HA       GLU  19  -1.898  -5.794  -4.236
  120    HB2  GLU  19           HB2      GLU  19  -4.486  -5.593  -2.693
  121    HB3  GLU  19           HB1      GLU  19  -4.045  -4.526  -4.019
  122    HG2  GLU  19           HG2      GLU  19  -3.958  -6.427  -5.534
  123    HG3  GLU  19           HG1      GLU  19  -4.367  -7.511  -4.207
  124    H    LEU  20           HN       LEU  20  -1.585  -3.539  -4.113
  125    HA   LEU  20           HA       LEU  20  -0.939  -2.557  -1.412
  126    HB2  LEU  20           HB2      LEU  20   0.974  -3.082  -3.024
  127    HB3  LEU  20           HB1      LEU  20   0.408  -1.729  -3.980
  128    HG   LEU  20           HG       LEU  20   1.155  -1.366  -1.088
  129   HD11  LEU  20          HD11      LEU  20   3.404  -0.753  -1.811
  130   HD12  LEU  20          HD12      LEU  20   3.011  -1.220  -3.465
  131   HD13  LEU  20          HD13      LEU  20   3.058  -2.439  -2.194
  132   HD21  LEU  20          HD21      LEU  20  -0.061   0.451  -2.219
  133   HD22  LEU  20          HD22      LEU  20   1.191   0.504  -3.461
  134   HD23  LEU  20          HD23      LEU  20   1.585   0.922  -1.795
  135    H    PHE  21           HN       PHE  21  -2.107  -0.831  -0.810
  136    HA   PHE  21           HA       PHE  21  -3.726   0.457  -2.900
  137    HB2  PHE  21           HB2      PHE  21  -4.237   0.156   0.071
  138    HB3  PHE  21           HB1      PHE  21  -5.289   1.027  -1.045
  139    HD1  PHE  21           HD2      PHE  21  -6.014  -0.390  -3.180
  140    HD2  PHE  21           HD1      PHE  21  -4.743  -2.037   0.539
  141    HE1  PHE  21           HE2      PHE  21  -7.191  -2.486  -3.706
  142    HE2  PHE  21           HE1      PHE  21  -5.917  -4.134   0.014
  143    HZ   PHE  21           HZ       PHE  21  -7.121  -4.359  -2.154
  144    H    CYS  22           HN       CYS  22  -1.478   1.611  -3.085
  145    HA   CYS  22           HA       CYS  22  -1.874   4.266  -2.017
  146    HB2  CYS  22           HB2      CYS  22   0.279   2.476  -1.039
  147    HB3  CYS  22           HB1      CYS  22   0.742   4.135  -1.406
  148    H    CYS  23           HN       CYS  23  -0.676   5.862  -3.135
  149    HA   CYS  23           HA       CYS  23   0.204   5.269  -5.768
  150    HB2  CYS  23           HB2      CYS  23   1.004   7.736  -4.214
  151    HB3  CYS  23           HB1      CYS  23   0.730   7.583  -5.950
  152    H    ASP  24           HN       ASP  24   2.522   5.874  -6.490
  153    HA   ASP  24           HA       ASP  24   4.312   4.095  -5.316
  154    HB2  ASP  24           HB2      ASP  24   4.582   4.908  -7.608
  155    HB3  ASP  24           HB1      ASP  24   4.940   6.525  -7.008
  156    H    THR  25           HN       THR  25   4.213   7.633  -4.977
  157    HA   THR  25           HA       THR  25   6.348   7.793  -3.136
  158    HB   THR  25           HB       THR  25   4.081   9.737  -3.594
  159    HG1  THR  25           HG1      THR  25   5.128  10.116  -5.392
  160   HG21  THR  25          HG21      THR  25   5.215  10.165  -1.469
  161   HG22  THR  25          HG22      THR  25   5.603  11.418  -2.648
  162   HG23  THR  25          HG23      THR  25   6.775  10.151  -2.290
  163    H    CYS  26           HN       CYS  26   2.829   7.660  -2.661
  164    HA   CYS  26           HA       CYS  26   2.816   7.944   0.123
  165    HB2  CYS  26           HB2      CYS  26   0.873   6.396  -1.606
  166    HB3  CYS  26           HB1      CYS  26   0.567   6.958   0.034
  167    H    SER  27           HN       SER  27   3.289   5.124  -1.911
  168    HA   SER  27           HA       SER  27   3.180   3.222   0.209
  169    HB2  SER  27           HB2      SER  27   2.827   2.683  -2.217
  170    HB3  SER  27           HB1      SER  27   4.556   2.920  -2.469
  171    HG   SER  27           HG       SER  27   3.374   1.032  -0.703
  172    H    ARG  28           HN       ARG  28   5.690   5.239  -1.150
  173    HA   ARG  28           HA       ARG  28   7.919   3.829  -0.149
  174    HB2  ARG  28           HB2      ARG  28   7.565   6.743  -0.821
  175    HB3  ARG  28           HB1      ARG  28   9.110   6.022  -0.402
  176    HG2  ARG  28           HG2      ARG  28   8.945   4.551  -2.348
  177    HG3  ARG  28           HG1      ARG  28   7.398   5.293  -2.770
  178    HD2  ARG  28           HD2      ARG  28   8.576   7.492  -2.873
  179    HD3  ARG  28           HD1      ARG  28  10.095   6.629  -2.653
  180    HE   ARG  28           HE       ARG  28   8.355   5.926  -4.913
  181   HH11  ARG  28          HH11      ARG  28  11.335   7.339  -3.729
  182   HH12  ARG  28          HH12      ARG  28  12.098   7.334  -5.284
  183   HH21  ARG  28          HH21      ARG  28   9.340   5.946  -6.943
  184   HH22  ARG  28          HH22      ARG  28  10.963   6.540  -7.120
  185    H    VAL  29           HN       VAL  29   5.825   6.263   1.245
  186    HA   VAL  29           HA       VAL  29   7.579   6.592   3.526
  187    HB   VAL  29           HB       VAL  29   5.854   8.272   4.279
  188   HG11  VAL  29          HG11      VAL  29   6.546   9.941   2.602
  189   HG12  VAL  29          HG12      VAL  29   7.159   8.636   1.584
  190   HG13  VAL  29          HG13      VAL  29   7.891   8.945   3.159
  191   HG21  VAL  29          HG21      VAL  29   4.760   7.804   1.507
  192   HG22  VAL  29          HG22      VAL  29   4.255   9.068   2.629
  193   HG23  VAL  29          HG23      VAL  29   3.953   7.373   3.015
  194    H    PHE  30           HN       PHE  30   4.375   5.211   2.864
  195    HA   PHE  30           HA       PHE  30   4.446   4.101   5.595
  196    HB2  PHE  30           HB2      PHE  30   1.948   5.147   4.244
  197    HB3  PHE  30           HB1      PHE  30   2.055   4.457   5.857
  198    HD1  PHE  30           HD2      PHE  30   3.871   5.704   7.405
  199    HD2  PHE  30           HD1      PHE  30   1.813   7.438   4.101
  200    HE1  PHE  30           HE2      PHE  30   4.266   7.949   8.334
  201    HE2  PHE  30           HE1      PHE  30   2.209   9.680   5.027
  202    HZ   PHE  30           HZ       PHE  30   3.394   9.933   7.164
  203    H    HIS  31           HN       HIS  31   5.388   2.621   3.583
  204    HA   HIS  31           HA       HIS  31   3.736   1.261   1.867
  205    HB2  HIS  31           HB2      HIS  31   6.196   1.126   1.883
  206    HB3  HIS  31           HB1      HIS  31   6.128   0.152   3.341
  207    HD1  HIS  31           HD1      HIS  31   5.168  -0.069  -0.346
  208    HD2  HIS  31           HD2      HIS  31   5.925  -2.491   2.946
  209    HE1  HIS  31           HE1      HIS  31   5.255  -2.453  -1.210
  210    H    GLU  32           HN       GLU  32   4.539   0.278   5.193
  211    HA   GLU  32           HA       GLU  32   3.130  -2.165   5.098
  212    HB2  GLU  32           HB2      GLU  32   4.238  -0.450   7.269
  213    HB3  GLU  32           HB1      GLU  32   3.152  -1.765   7.699
  214    HG2  GLU  32           HG2      GLU  32   5.546  -2.209   5.958
  215    HG3  GLU  32           HG1      GLU  32   5.653  -2.238   7.716
  216    H    ASP  33           HN       ASP  33   2.227   1.031   6.250
  217    HA   ASP  33           HA       ASP  33  -0.345   0.327   7.200
  218    HB2  ASP  33           HB2      ASP  33   0.723   2.990   6.257
  219    HB3  ASP  33           HB1      ASP  33  -0.808   2.766   7.096
  220    H    CYS  34           HN       CYS  34   0.931   0.967   4.076
  221    HA   CYS  34           HA       CYS  34  -1.530   1.652   2.795
  222    HB2  CYS  34           HB2      CYS  34   1.204   0.886   1.789
  223    HB3  CYS  34           HB1      CYS  34  -0.140   1.215   0.696
  224    H    HIS  35           HN       HIS  35  -0.387  -1.249   3.981
  225    HA   HIS  35           HA       HIS  35  -2.045  -2.785   2.087
  226    HB2  HIS  35           HB2      HIS  35   0.077  -3.753   4.019
  227    HB3  HIS  35           HB1      HIS  35  -0.894  -4.793   2.984
  228    HD1  HIS  35           HD1      HIS  35  -0.208  -4.930   0.471
  229    HD2  HIS  35           HD2      HIS  35   2.065  -2.281   2.728
  230    HE1  HIS  35           HE1      HIS  35   1.822  -4.353  -0.929
  231    H    ILE  36           HN       ILE  36  -2.477  -1.153   4.771
  232    HA   ILE  36           HA       ILE  36  -4.119  -3.212   6.091
  233    HB   ILE  36           HB       ILE  36  -2.566  -0.980   7.419
  234   HG12  ILE  36          HG12      ILE  36  -2.189  -3.980   7.539
  235   HG13  ILE  36          HG11      ILE  36  -1.157  -2.857   6.661
  236   HG21  ILE  36          HG21      ILE  36  -3.320  -1.946   9.531
  237   HG22  ILE  36          HG22      ILE  36  -4.294  -3.122   8.649
  238   HG23  ILE  36          HG23      ILE  36  -4.682  -1.404   8.551
  239   HD11  ILE  36          HD11      ILE  36  -1.552  -2.931   9.642
  240   HD12  ILE  36          HD12      ILE  36  -0.519  -1.802   8.767
  241   HD13  ILE  36          HD13      ILE  36  -0.145  -3.524   8.760
  242    HA   PRO  37           HA       PRO  37  -5.654  -3.549   7.119
  243    HB2  PRO  37           HB2      PRO  37  -8.335  -3.867   7.176
  244    HB3  PRO  37           HB1      PRO  37  -7.464  -2.966   8.425
  245    HG2  PRO  37           HG2      PRO  37  -9.188  -1.977   6.241
  246    HG3  PRO  37           HG1      PRO  37  -8.809  -1.236   7.803
  247    HD2  PRO  37           HD2      PRO  37  -7.666  -0.624   5.261
  248    HD3  PRO  37           HD1      PRO  37  -7.211   0.040   6.841
  249    HA   PRO  38           HA       PRO  38  -6.149  -5.610   3.196
  250    HB2  PRO  38           HB2      PRO  38  -6.061  -8.170   4.074
  251    HB3  PRO  38           HB1      PRO  38  -4.624  -7.144   3.987
  252    HG2  PRO  38           HG2      PRO  38  -6.330  -7.825   6.352
  253    HG3  PRO  38           HG1      PRO  38  -4.561  -7.725   6.237
  254    HD2  PRO  38           HD2      PRO  38  -6.098  -5.732   7.290
  255    HD3  PRO  38           HD1      PRO  38  -4.552  -5.432   6.469
  256    H    VAL  39           HN       VAL  39  -8.430  -4.636   3.418
  257    HA   VAL  39           HA       VAL  39 -10.518  -6.443   4.246
  258    HB   VAL  39           HB       VAL  39 -12.049  -4.676   3.402
  259   HG11  VAL  39          HG11      VAL  39 -11.400  -2.962   5.054
  260   HG12  VAL  39          HG12      VAL  39  -9.830  -3.751   5.221
  261   HG13  VAL  39          HG13      VAL  39 -11.300  -4.600   5.699
  262   HG21  VAL  39          HG21      VAL  39  -9.499  -3.208   2.732
  263   HG22  VAL  39          HG22      VAL  39 -11.131  -2.545   2.647
  264   HG23  VAL  39          HG23      VAL  39 -10.653  -3.853   1.564
  265    H    GLU  40           HN       GLU  40 -12.460  -5.968   2.303
  266    HA   GLU  40           HA       GLU  40 -12.133  -7.984   0.465
  267    HB2  GLU  40           HB2      GLU  40 -14.012  -6.934  -0.777
  268    HB3  GLU  40           HB1      GLU  40 -14.309  -7.033   0.953
  269    HG2  GLU  40           HG2      GLU  40 -13.749  -4.695   1.214
  270    HG3  GLU  40           HG1      GLU  40 -13.358  -4.579  -0.500
  271    H    ALA  41           HN       ALA  41 -11.619  -8.077  -1.734
  272    HA   ALA  41           HA       ALA  41  -9.685  -6.039  -2.562
  273    HB1  ALA  41           HB1      ALA  41  -8.958  -8.392  -2.496
  274    HB2  ALA  41           HB2      ALA  41  -8.855  -7.700  -4.114
  275    HB3  ALA  41           HB3      ALA  41 -10.181  -8.786  -3.704
  276    H    GLU  42           HN       GLU  42 -12.733  -5.998  -2.767
  277    HA   GLU  42           HA       GLU  42 -13.160  -6.014  -5.633
  278    HB2  GLU  42           HB2      GLU  42 -15.032  -5.437  -3.330
  279    HB3  GLU  42           HB1      GLU  42 -15.512  -5.377  -5.018
  280    HG2  GLU  42           HG2      GLU  42 -16.198  -7.476  -4.429
  281    HG3  GLU  42           HG1      GLU  42 -14.600  -7.812  -5.086
  282    H    ARG  43           HN       ARG  43 -11.445  -3.970  -4.139
  283    HA   ARG  43           HA       ARG  43 -12.724  -1.463  -4.625
  284    HB2  ARG  43           HB2      ARG  43  -9.803  -2.164  -4.232
  285    HB3  ARG  43           HB1      ARG  43 -10.399  -0.518  -4.407
  286    HG2  ARG  43           HG2      ARG  43 -11.831  -0.856  -2.430
  287    HG3  ARG  43           HG1      ARG  43 -11.136  -2.462  -2.231
  288    HD2  ARG  43           HD2      ARG  43  -9.038  -1.607  -1.652
  289    HD3  ARG  43           HD1      ARG  43  -9.407  -0.013  -2.314
  290    HE   ARG  43           HE       ARG  43 -11.216  -0.124  -0.403
  291   HH11  ARG  43          HH11      ARG  43  -7.841  -1.064  -0.234
  292   HH12  ARG  43          HH12      ARG  43  -7.700  -0.692   1.451
  293   HH21  ARG  43          HH21      ARG  43 -11.042   0.336   1.788
  294   HH22  ARG  43          HH22      ARG  43  -9.527   0.122   2.615
  295    H    THR  44           HN       THR  44 -10.183  -3.256  -6.317
  296    HA   THR  44           HA       THR  44  -9.658  -3.527  -8.478
  297    HB   THR  44           HB       THR  44 -11.552  -3.630 -10.108
  298    HG1  THR  44           HG1      THR  44 -12.754  -2.069  -8.426
  299   HG21  THR  44          HG21      THR  44 -12.633  -5.560  -9.042
  300   HG22  THR  44          HG22      THR  44 -11.936  -5.092  -7.493
  301   HG23  THR  44          HG23      THR  44 -10.885  -5.594  -8.816
  302    HA   PRO  45           HA       PRO  45  -8.144  -3.263  -9.199
  303    HB2  PRO  45           HB2      PRO  45  -6.126  -2.397 -10.689
  304    HB3  PRO  45           HB1      PRO  45  -7.622  -2.964 -11.447
  305    HG2  PRO  45           HG2      PRO  45  -6.594  -0.193 -11.141
  306    HG3  PRO  45           HG1      PRO  45  -7.665  -0.870 -12.387
  307    HD2  PRO  45           HD2      PRO  45  -8.404   0.603 -10.028
  308    HD3  PRO  45           HD1      PRO  45  -9.477  -0.092 -11.259
  309    H    TRP  46           HN       TRP  46  -7.972  -0.029  -8.235
  310    HA   TRP  46           HA       TRP  46  -5.890  -0.430  -6.318
  311    HB2  TRP  46           HB2      TRP  46  -4.462  -0.212  -8.269
  312    HB3  TRP  46           HB1      TRP  46  -5.348   1.205  -8.811
  313    HD1  TRP  46           HD1      TRP  46  -2.651   0.126  -6.337
  314    HE1  TRP  46           HE1      TRP  46  -1.459   2.231  -5.449
  315    HE3  TRP  46           HE3      TRP  46  -5.723   3.699  -8.329
  316    HZ2  TRP  46           HZ2      TRP  46  -1.794   5.034  -5.574
  317    HZ3  TRP  46           HZ3      TRP  46  -5.216   6.067  -7.899
  318    HH2  TRP  46           HH2      TRP  46  -3.292   6.718  -6.549
  319    H    ASN  47           HN       ASN  47  -5.996   1.107  -4.732
  320    HA   ASN  47           HA       ASN  47  -7.130   3.709  -5.220
  321    HB2  ASN  47           HB2      ASN  47  -9.176   2.402  -4.827
  322    HB3  ASN  47           HB1      ASN  47  -8.503   1.782  -3.322
  323   HD21  ASN  47          HD21      ASN  47  -9.843   4.554  -4.938
  324   HD22  ASN  47          HD22      ASN  47 -10.142   5.486  -3.513
  325    H    CYS  48           HN       CYS  48  -5.922   5.086  -4.073
  326    HA   CYS  48           HA       CYS  48  -4.185   4.055  -1.995
  327    HB2  CYS  48           HB2      CYS  48  -3.269   5.628  -3.624
  328    HB3  CYS  48           HB1      CYS  48  -4.462   6.832  -3.162
  329    H    ILE  49           HN       ILE  49  -5.080   3.754  -0.082
  330    HA   ILE  49           HA       ILE  49  -7.417   4.980   0.842
  331    HB   ILE  49           HB       ILE  49  -6.747   4.122   3.108
  332   HG12  ILE  49          HG12      ILE  49  -4.346   3.072   1.583
  333   HG13  ILE  49          HG11      ILE  49  -4.311   4.294   2.848
  334   HG21  ILE  49          HG21      ILE  49  -6.716   2.235   0.760
  335   HG22  ILE  49          HG22      ILE  49  -8.117   2.774   1.684
  336   HG23  ILE  49          HG23      ILE  49  -6.910   1.730   2.436
  337   HD11  ILE  49          HD11      ILE  49  -3.604   2.166   3.719
  338   HD12  ILE  49          HD12      ILE  49  -5.100   1.411   3.168
  339   HD13  ILE  49          HD13      ILE  49  -5.143   2.626   4.447
  340    H    PHE  50           HN       PHE  50  -4.061   5.932   1.186
  341    HA   PHE  50           HA       PHE  50  -4.538   7.863   3.224
  342    HB2  PHE  50           HB2      PHE  50  -2.235   7.311   1.376
  343    HB3  PHE  50           HB1      PHE  50  -2.247   8.754   2.386
  344    HD1  PHE  50           HD2      PHE  50  -2.108   5.101   2.367
  345    HD2  PHE  50           HD1      PHE  50  -1.977   8.604   4.780
  346    HE1  PHE  50           HE2      PHE  50  -1.242   3.771   4.241
  347    HE2  PHE  50           HE1      PHE  50  -1.106   7.277   6.658
  348    HZ   PHE  50           HZ       PHE  50  -0.789   4.906   6.442
  349    H    CYS  51           HN       CYS  51  -4.295   8.076  -0.315
  350    HA   CYS  51           HA       CYS  51  -4.759  10.906  -0.308
  351    HB2  CYS  51           HB2      CYS  51  -4.727   8.836  -2.498
  352    HB3  CYS  51           HB1      CYS  51  -5.211  10.499  -2.811
  353    H    ARG  52           HN       ARG  52  -6.751   8.062  -0.354
  354    HA   ARG  52           HA       ARG  52  -9.147   9.364  -1.196
  355    HB2  ARG  52           HB2      ARG  52  -8.782   6.914  -1.383
  356    HB3  ARG  52           HB1      ARG  52  -8.813   6.794   0.369
  357    HG2  ARG  52           HG2      ARG  52 -10.934   6.104  -0.394
  358    HG3  ARG  52           HG1      ARG  52 -11.153   7.720   0.280
  359    HD2  ARG  52           HD2      ARG  52 -11.172   8.689  -1.927
  360    HD3  ARG  52           HD1      ARG  52 -10.773   7.134  -2.651
  361    HE   ARG  52           HE       ARG  52 -13.221   7.191  -1.110
  362   HH11  ARG  52          HH11      ARG  52 -11.765   7.574  -4.273
  363   HH12  ARG  52          HH12      ARG  52 -13.229   7.205  -5.131
  364   HH21  ARG  52          HH21      ARG  52 -15.152   6.717  -2.238
  365   HH22  ARG  52          HH22      ARG  52 -15.155   6.719  -3.972
  366    H    MET  53           HN       MET  53  -7.590   8.698   1.852
  367    HA   MET  53           HA       MET  53  -7.783   9.600   3.917
  368    HB2  MET  53           HB2      MET  53  -9.568  11.620   2.550
  369    HB3  MET  53           HB1      MET  53  -8.924  11.778   4.179
  370    HG2  MET  53           HG2      MET  53  -6.657  11.796   3.290
  371    HG3  MET  53           HG1      MET  53  -7.293  11.613   1.656
  372    HE1  MET  53           HE1      MET  53  -5.256  13.874   2.331
  373    HE2  MET  53           HE2      MET  53  -6.000  15.263   1.542
  374    HE3  MET  53           HE3      MET  53  -6.014  13.688   0.750
  375    H    LYS  54           HN       LYS  54  -9.939   7.803   2.604
  376    HA   LYS  54           HA       LYS  54 -11.713   7.767   4.914
  377    HB2  LYS  54           HB2      LYS  54 -12.714   7.904   2.054
  378    HB3  LYS  54           HB1      LYS  54 -13.715   7.563   3.456
  379    HG2  LYS  54           HG2      LYS  54 -13.294   9.773   4.343
  380    HG3  LYS  54           HG1      LYS  54 -12.188  10.124   3.015
  381    HD2  LYS  54           HD2      LYS  54 -14.338  11.154   2.598
  382    HD3  LYS  54           HD1      LYS  54 -14.054   9.869   1.425
  383    HE2  LYS  54           HE2      LYS  54 -16.357   9.838   2.260
  384    HE3  LYS  54           HE1      LYS  54 -15.489   8.369   2.699
  385    HZ1  LYS  54           HZ1      LYS  54 -15.186   9.201   4.912
  386    HZ2  LYS  54           HZ2      LYS  54 -16.828   9.288   4.526
  387    HZ3  LYS  54           HZ3      LYS  54 -15.883  10.687   4.509
  388    H    GLU  55           HN       GLU  55 -12.968   5.720   4.981
  389    HA   GLU  55           HA       GLU  55 -11.393   3.510   3.997
  390    HB2  GLU  55           HB2      GLU  55 -13.971   3.541   5.576
  391    HB3  GLU  55           HB1      GLU  55 -13.046   2.098   5.191
  392    HG2  GLU  55           HG2      GLU  55 -12.169   4.396   6.921
  393    HG3  GLU  55           HG1      GLU  55 -12.585   2.766   7.447
  394    H    SER  56           HN       SER  56 -11.590   3.240   1.854
  395    HA   SER  56           HA       SER  56 -14.302   2.784   0.817
  396    HB2  SER  56           HB2      SER  56 -13.297   4.918  -0.030
  397    HB3  SER  56           HB1      SER  56 -11.977   3.980  -0.724
  398    HG   SER  56           HG       SER  56 -13.388   3.029  -2.129
  Start of MODEL   11
    1    H1   GLY   1           HT1      GLY   1  17.721  -0.623   5.390
    2    H2   GLY   1           HT2      GLY   1  18.059  -1.007   3.779
    3    H3   GLY   1           HT3      GLY   1  18.619   0.447   4.435
    4    HA2  GLY   1           HA1      GLY   1  20.074  -0.728   5.935
    5    HA3  GLY   1           HA2      GLY   1  19.468  -2.253   5.309
    6    H    ALA   2           HN       ALA   2  21.496  -2.932   4.614
    7    HA   ALA   2           HA       ALA   2  23.149  -1.261   2.956
    8    HB1  ALA   2           HB1      ALA   2  24.656  -3.161   2.880
    9    HB2  ALA   2           HB2      ALA   2  23.417  -4.201   3.580
   10    HB3  ALA   2           HB3      ALA   2  24.106  -2.886   4.534
   11    H    MET   3           HN       MET   3  20.490  -3.235   2.372
   12    HA   MET   3           HA       MET   3  21.276  -3.764  -0.409
   13    HB2  MET   3           HB2      MET   3  20.290  -5.576   1.082
   14    HB3  MET   3           HB1      MET   3  18.774  -4.694   1.007
   15    HG2  MET   3           HG2      MET   3  18.713  -4.973  -1.410
   16    HG3  MET   3           HG1      MET   3  20.253  -5.827  -1.358
   17    HE1  MET   3           HE1      MET   3  19.829  -7.562   1.372
   18    HE2  MET   3           HE2      MET   3  20.607  -8.130  -0.105
   19    HE3  MET   3           HE3      MET   3  19.308  -9.072   0.625
   20    H    GLY   4           HN       GLY   4  20.125  -1.268   1.181
   21    HA2  GLY   4           HA2      GLY   4  19.319   0.603  -0.196
   22    HA3  GLY   4           HA1      GLY   4  18.206  -0.537  -0.942
   23    H    MET   5           HN       MET   5  17.007   1.608  -0.051
   24    HA   MET   5           HA       MET   5  16.135   1.136   2.700
   25    HB2  MET   5           HB2      MET   5  16.742   3.430   1.981
   26    HB3  MET   5           HB1      MET   5  15.433   3.389   0.809
   27    HG2  MET   5           HG2      MET   5  13.796   3.276   2.556
   28    HG3  MET   5           HG1      MET   5  15.053   3.111   3.780
   29    HE1  MET   5           HE1      MET   5  13.969   5.118   5.179
   30    HE2  MET   5           HE2      MET   5  12.707   5.243   3.954
   31    HE3  MET   5           HE3      MET   5  13.578   6.686   4.473
   32    H    ARG   6           HN       ARG   6  15.049   0.829  -0.579
   33    HA   ARG   6           HA       ARG   6  12.349   0.170   0.362
   34    HB2  ARG   6           HB2      ARG   6  12.453   1.948  -1.328
   35    HB3  ARG   6           HB1      ARG   6  13.292   0.862  -2.425
   36    HG2  ARG   6           HG2      ARG   6  11.173   0.693  -3.231
   37    HG3  ARG   6           HG1      ARG   6  11.166  -0.633  -2.071
   38    HD2  ARG   6           HD2      ARG   6  10.080   2.141  -1.615
   39    HD3  ARG   6           HD1      ARG   6   9.129   0.694  -1.922
   40    HE   ARG   6           HE       ARG   6  10.770   0.346   0.364
   41   HH11  ARG   6          HH11      ARG   6   7.830   1.816  -0.775
   42   HH12  ARG   6          HH12      ARG   6   7.131   1.977   0.806
   43   HH21  ARG   6          HH21      ARG   6   9.876   0.540   2.470
   44   HH22  ARG   6          HH22      ARG   6   8.303   1.245   2.662
   45    H    ASN   7           HN       ASN   7  12.933  -1.931   1.055
   46    HA   ASN   7           HA       ASN   7  13.207  -3.824  -1.186
   47    HB2  ASN   7           HB2      ASN   7  14.101  -4.217   1.683
   48    HB3  ASN   7           HB1      ASN   7  14.159  -5.446   0.429
   49   HD21  ASN   7          HD21      ASN   7  15.611  -2.572   1.689
   50   HD22  ASN   7          HD22      ASN   7  17.017  -2.599   0.682
   51    H    LEU   8           HN       LEU   8  11.472  -5.028  -1.537
   52    HA   LEU   8           HA       LEU   8   9.264  -4.906   0.336
   53    HB2  LEU   8           HB2      LEU   8   9.385  -6.375  -2.293
   54    HB3  LEU   8           HB1      LEU   8   7.948  -5.903  -1.406
   55    HG   LEU   8           HG       LEU   8   9.875  -4.060  -2.822
   56   HD11  LEU   8          HD11      LEU   8   7.964  -3.548  -4.236
   57   HD12  LEU   8          HD12      LEU   8   6.988  -4.724  -3.355
   58   HD13  LEU   8          HD13      LEU   8   8.371  -5.261  -4.306
   59   HD21  LEU   8          HD21      LEU   8   8.344  -2.257  -2.198
   60   HD22  LEU   8          HD22      LEU   8   9.086  -3.003  -0.784
   61   HD23  LEU   8          HD23      LEU   8   7.420  -3.388  -1.212
   62    H    ASP   9           HN       ASP   9  11.593  -6.297   1.143
   63    HA   ASP   9           HA       ASP   9  10.882  -9.136   1.043
   64    HB2  ASP   9           HB2      ASP   9  13.207  -8.488   0.501
   65    HB3  ASP   9           HB1      ASP   9  13.372  -7.788   2.108
   66    H    GLU  10           HN       GLU  10  10.968  -6.402   3.113
   67    HA   GLU  10           HA       GLU  10  10.582  -7.927   5.544
   68    HB2  GLU  10           HB2      GLU  10  10.425  -5.701   6.619
   69    HB3  GLU  10           HB1      GLU  10  11.891  -5.886   5.668
   70    HG2  GLU  10           HG2      GLU  10  10.791  -4.645   3.824
   71    HG3  GLU  10           HG1      GLU  10   9.413  -4.371   4.887
   72    H    CYS  11           HN       CYS  11   8.721  -7.210   3.023
   73    HA   CYS  11           HA       CYS  11   6.280  -6.683   4.566
   74    HB2  CYS  11           HB2      CYS  11   6.942  -5.089   2.732
   75    HB3  CYS  11           HB1      CYS  11   6.709  -6.398   1.592
   76    H    GLU  12           HN       GLU  12   5.703  -8.730   5.187
   77    HA   GLU  12           HA       GLU  12   6.024 -11.064   3.684
   78    HB2  GLU  12           HB2      GLU  12   5.629 -11.115   6.084
   79    HB3  GLU  12           HB1      GLU  12   4.024 -10.440   5.849
   80    HG2  GLU  12           HG2      GLU  12   3.433 -12.464   4.536
   81    HG3  GLU  12           HG1      GLU  12   4.996 -13.146   4.981
   82    H    VAL  13           HN       VAL  13   3.414  -8.738   3.813
   83    HA   VAL  13           HA       VAL  13   1.548 -10.327   2.403
   84    HB   VAL  13           HB       VAL  13   0.716  -8.568   3.779
   85   HG11  VAL  13          HG11      VAL  13   2.614  -7.061   3.665
   86   HG12  VAL  13          HG12      VAL  13   1.104  -6.216   3.331
   87   HG13  VAL  13          HG13      VAL  13   2.186  -6.641   2.007
   88   HG21  VAL  13          HG21      VAL  13  -0.778  -7.399   2.258
   89   HG22  VAL  13          HG22      VAL  13  -0.604  -9.088   1.787
   90   HG23  VAL  13          HG23      VAL  13   0.254  -7.830   0.898
   91    H    CYS  14           HN       CYS  14   4.008  -8.002   1.357
   92    HA   CYS  14           HA       CYS  14   3.262  -7.995  -1.374
   93    HB2  CYS  14           HB2      CYS  14   5.639  -7.174   0.168
   94    HB3  CYS  14           HB1      CYS  14   5.945  -7.604  -1.509
   95    H    ARG  15           HN       ARG  15   5.166 -10.177   0.577
   96    HA   ARG  15           HA       ARG  15   6.226 -11.743  -1.540
   97    HB2  ARG  15           HB2      ARG  15   5.674 -12.367   1.352
   98    HB3  ARG  15           HB1      ARG  15   6.368 -13.547   0.253
   99    HG2  ARG  15           HG2      ARG  15   8.273 -12.063  -0.135
  100    HG3  ARG  15           HG1      ARG  15   7.573 -10.891   0.988
  101    HD2  ARG  15           HD2      ARG  15   7.769 -12.423   2.811
  102    HD3  ARG  15           HD1      ARG  15   8.219 -13.735   1.730
  103    HE   ARG  15           HE       ARG  15  10.134 -11.756   1.407
  104   HH11  ARG  15          HH11      ARG  15   8.957 -13.828   3.973
  105   HH12  ARG  15          HH12      ARG  15  10.480 -13.883   4.801
  106   HH21  ARG  15          HH21      ARG  15  12.152 -11.836   2.487
  107   HH22  ARG  15          HH22      ARG  15  12.296 -12.763   3.952
  108    H    ASP  16           HN       ASP  16   3.261 -11.836   0.301
  109    HA   ASP  16           HA       ASP  16   2.217 -14.188  -0.925
  110    HB2  ASP  16           HB2      ASP  16   1.449 -13.433   1.269
  111    HB3  ASP  16           HB1      ASP  16   0.829 -11.946   0.565
  112    H    GLY  17           HN       GLY  17   2.724 -11.109  -2.105
  113    HA2  GLY  17           HA2      GLY  17   2.151 -10.197  -4.159
  114    HA3  GLY  17           HA1      GLY  17   1.101 -11.581  -4.443
  115    H    GLY  18           HN       GLY  18   0.800  -9.878  -1.487
  116    HA2  GLY  18           HA2      GLY  18  -1.940  -9.401  -1.788
  117    HA3  GLY  18           HA1      GLY  18  -0.910  -8.687  -0.561
  118    H    GLU  19           HN       GLU  19  -3.026  -7.314  -1.622
  119    HA   GLU  19           HA       GLU  19  -2.224  -5.729  -3.872
  120    HB2  GLU  19           HB2      GLU  19  -4.607  -6.413  -3.273
  121    HB3  GLU  19           HB1      GLU  19  -4.534  -5.180  -2.021
  122    HG2  GLU  19           HG2      GLU  19  -5.618  -4.437  -4.125
  123    HG3  GLU  19           HG1      GLU  19  -4.239  -3.451  -3.634
  124    H    LEU  20           HN       LEU  20  -1.860  -3.507  -3.884
  125    HA   LEU  20           HA       LEU  20  -0.971  -2.391  -1.303
  126    HB2  LEU  20           HB2      LEU  20   0.767  -3.015  -3.108
  127    HB3  LEU  20           HB1      LEU  20   0.146  -1.641  -3.997
  128    HG   LEU  20           HG       LEU  20   1.188  -1.331  -1.188
  129   HD11  LEU  20          HD11      LEU  20   2.788  -1.156  -3.744
  130   HD12  LEU  20          HD12      LEU  20   2.948  -2.406  -2.512
  131   HD13  LEU  20          HD13      LEU  20   3.355  -0.734  -2.130
  132   HD21  LEU  20          HD21      LEU  20   1.013   0.580  -3.521
  133   HD22  LEU  20          HD22      LEU  20   1.562   0.963  -1.890
  134   HD23  LEU  20          HD23      LEU  20  -0.121   0.514  -2.171
  135    H    PHE  21           HN       PHE  21  -2.118  -0.648  -0.691
  136    HA   PHE  21           HA       PHE  21  -3.921   0.537  -2.694
  137    HB2  PHE  21           HB2      PHE  21  -4.147   0.601   0.330
  138    HB3  PHE  21           HB1      PHE  21  -5.361   1.149  -0.822
  139    HD1  PHE  21           HD2      PHE  21  -6.308  -0.634  -2.448
  140    HD2  PHE  21           HD1      PHE  21  -4.217  -1.564   1.148
  141    HE1  PHE  21           HE2      PHE  21  -7.303  -2.884  -2.447
  142    HE2  PHE  21           HE1      PHE  21  -5.208  -3.813   1.147
  143    HZ   PHE  21           HZ       PHE  21  -6.753  -4.474  -0.652
  144    H    CYS  22           HN       CYS  22  -1.537   1.607  -3.015
  145    HA   CYS  22           HA       CYS  22  -1.827   4.323  -2.055
  146    HB2  CYS  22           HB2      CYS  22   0.291   2.482  -1.057
  147    HB3  CYS  22           HB1      CYS  22   0.747   4.149  -1.390
  148    H    CYS  23           HN       CYS  23  -0.425   5.818  -3.121
  149    HA   CYS  23           HA       CYS  23   0.414   5.081  -5.768
  150    HB2  CYS  23           HB2      CYS  23   1.138   7.652  -4.359
  151    HB3  CYS  23           HB1      CYS  23   0.860   7.388  -6.082
  152    H    ASP  24           HN       ASP  24   2.761   5.794  -6.436
  153    HA   ASP  24           HA       ASP  24   4.605   4.180  -5.112
  154    HB2  ASP  24           HB2      ASP  24   5.047   6.547  -6.934
  155    HB3  ASP  24           HB1      ASP  24   6.364   5.554  -6.324
  156    H    THR  25           HN       THR  25   4.173   7.711  -4.863
  157    HA   THR  25           HA       THR  25   6.227   8.183  -3.020
  158    HB   THR  25           HB       THR  25   3.634   9.718  -3.122
  159    HG1  THR  25           HG1      THR  25   5.776   9.611  -4.971
  160   HG21  THR  25          HG21      THR  25   5.060  11.625  -2.585
  161   HG22  THR  25          HG22      THR  25   6.481  10.580  -2.601
  162   HG23  THR  25          HG23      THR  25   5.235  10.356  -1.373
  163    H    CYS  26           HN       CYS  26   2.765   7.674  -2.507
  164    HA   CYS  26           HA       CYS  26   2.762   7.916   0.277
  165    HB2  CYS  26           HB2      CYS  26   0.834   6.303  -1.399
  166    HB3  CYS  26           HB1      CYS  26   0.505   7.111   0.134
  167    H    SER  27           HN       SER  27   3.196   5.117  -1.816
  168    HA   SER  27           HA       SER  27   3.140   3.169   0.253
  169    HB2  SER  27           HB2      SER  27   2.765   2.662  -2.153
  170    HB3  SER  27           HB1      SER  27   4.467   2.999  -2.463
  171    HG   SER  27           HG       SER  27   4.364   0.838  -2.182
  172    H    ARG  28           HN       ARG  28   5.656   5.177  -1.141
  173    HA   ARG  28           HA       ARG  28   7.880   3.736  -0.187
  174    HB2  ARG  28           HB2      ARG  28   7.478   6.573  -1.063
  175    HB3  ARG  28           HB1      ARG  28   9.024   6.038  -0.423
  176    HG2  ARG  28           HG2      ARG  28   9.278   4.439  -2.179
  177    HG3  ARG  28           HG1      ARG  28   7.636   4.739  -2.754
  178    HD2  ARG  28           HD2      ARG  28   9.304   5.859  -4.153
  179    HD3  ARG  28           HD1      ARG  28   8.241   7.014  -3.350
  180    HE   ARG  28           HE       ARG  28  10.294   6.938  -1.653
  181   HH11  ARG  28          HH11      ARG  28  10.263   7.188  -5.150
  182   HH12  ARG  28          HH12      ARG  28  11.701   8.154  -5.208
  183   HH21  ARG  28          HH21      ARG  28  12.178   8.202  -1.736
  184   HH22  ARG  28          HH22      ARG  28  12.785   8.740  -3.271
  185    H    VAL  29           HN       VAL  29   5.805   6.096   1.302
  186    HA   VAL  29           HA       VAL  29   7.635   6.350   3.554
  187    HB   VAL  29           HB       VAL  29   6.046   8.101   4.374
  188   HG11  VAL  29          HG11      VAL  29   8.070   8.678   3.163
  189   HG12  VAL  29          HG12      VAL  29   6.759   9.771   2.718
  190   HG13  VAL  29          HG13      VAL  29   7.231   8.469   1.626
  191   HG21  VAL  29          HG21      VAL  29   4.805   7.763   1.646
  192   HG22  VAL  29          HG22      VAL  29   4.413   9.015   2.823
  193   HG23  VAL  29          HG23      VAL  29   4.046   7.327   3.175
  194    H    PHE  30           HN       PHE  30   4.365   5.152   2.864
  195    HA   PHE  30           HA       PHE  30   4.358   4.024   5.593
  196    HB2  PHE  30           HB2      PHE  30   1.889   4.931   4.101
  197    HB3  PHE  30           HB1      PHE  30   1.972   4.352   5.759
  198    HD1  PHE  30           HD2      PHE  30   4.092   5.851   6.980
  199    HD2  PHE  30           HD1      PHE  30   1.235   7.126   4.089
  200    HE1  PHE  30           HE2      PHE  30   4.334   8.169   7.764
  201    HE2  PHE  30           HE1      PHE  30   1.475   9.444   4.875
  202    HZ   PHE  30           HZ       PHE  30   3.024   9.964   6.712
  203    H    HIS  31           HN       HIS  31   5.426   2.503   3.656
  204    HA   HIS  31           HA       HIS  31   3.820   1.075   1.929
  205    HB2  HIS  31           HB2      HIS  31   6.331   1.019   2.073
  206    HB3  HIS  31           HB1      HIS  31   6.167  -0.089   3.427
  207    HD1  HIS  31           HD1      HIS  31   4.746  -0.032  -0.144
  208    HD2  HIS  31           HD2      HIS  31   6.567  -2.584   2.589
  209    HE1  HIS  31           HE1      HIS  31   5.002  -2.271  -1.309
  210    H    GLU  32           HN       GLU  32   4.468   0.378   5.347
  211    HA   GLU  32           HA       GLU  32   3.271  -2.192   5.319
  212    HB2  GLU  32           HB2      GLU  32   3.634  -0.328   7.672
  213    HB3  GLU  32           HB1      GLU  32   3.270  -2.041   7.768
  214    HG2  GLU  32           HG2      GLU  32   5.537  -1.958   8.197
  215    HG3  GLU  32           HG1      GLU  32   5.474  -2.364   6.484
  216    H    ASP  33           HN       ASP  33   2.114   0.994   6.276
  217    HA   ASP  33           HA       ASP  33  -0.482   0.150   7.058
  218    HB2  ASP  33           HB2      ASP  33   0.583   2.868   6.286
  219    HB3  ASP  33           HB1      ASP  33  -1.039   2.594   6.907
  220    H    CYS  34           HN       CYS  34   0.966   0.921   4.042
  221    HA   CYS  34           HA       CYS  34  -1.446   1.536   2.638
  222    HB2  CYS  34           HB2      CYS  34   1.382   0.966   1.790
  223    HB3  CYS  34           HB1      CYS  34   0.095   1.223   0.613
  224    H    HIS  35           HN       HIS  35  -0.289  -1.348   3.813
  225    HA   HIS  35           HA       HIS  35  -1.571  -2.896   1.663
  226    HB2  HIS  35           HB2      HIS  35   0.415  -3.676   3.784
  227    HB3  HIS  35           HB1      HIS  35  -0.506  -4.877   2.883
  228    HD1  HIS  35           HD1      HIS  35   0.114  -5.188   0.353
  229    HD2  HIS  35           HD2      HIS  35   2.382  -2.355   2.370
  230    HE1  HIS  35           HE1      HIS  35   2.111  -4.693  -1.120
  231    H    ILE  36           HN       ILE  36  -2.659  -1.390   4.182
  232    HA   ILE  36           HA       ILE  36  -4.640  -3.437   4.759
  233    HB   ILE  36           HB       ILE  36  -4.590  -2.775   7.224
  234   HG12  ILE  36          HG12      ILE  36  -1.768  -1.974   6.508
  235   HG13  ILE  36          HG11      ILE  36  -3.054  -0.854   6.942
  236   HG21  ILE  36          HG21      ILE  36  -3.974  -4.985   6.499
  237   HG22  ILE  36          HG22      ILE  36  -2.868  -4.453   7.765
  238   HG23  ILE  36          HG23      ILE  36  -2.353  -4.431   6.079
  239   HD11  ILE  36          HD11      ILE  36  -1.930  -3.006   8.721
  240   HD12  ILE  36          HD12      ILE  36  -3.183  -1.844   9.157
  241   HD13  ILE  36          HD13      ILE  36  -1.545  -1.288   8.811
  242    HA   PRO  37           HA       PRO  37  -6.262  -3.695   5.790
  243    HB2  PRO  37           HB2      PRO  37  -8.963  -3.519   5.847
  244    HB3  PRO  37           HB1      PRO  37  -7.948  -3.012   7.204
  245    HG2  PRO  37           HG2      PRO  37  -9.494  -1.381   5.316
  246    HG3  PRO  37           HG1      PRO  37  -8.858  -0.954   6.911
  247    HD2  PRO  37           HD2      PRO  37  -7.758  -0.342   4.304
  248    HD3  PRO  37           HD1      PRO  37  -7.177   0.179   5.899
  249    HA   PRO  38           HA       PRO  38  -7.141  -4.861   1.524
  250    HB2  PRO  38           HB2      PRO  38  -7.019  -7.547   1.911
  251    HB3  PRO  38           HB1      PRO  38  -5.582  -6.532   1.736
  252    HG2  PRO  38           HG2      PRO  38  -6.846  -7.624   4.215
  253    HG3  PRO  38           HG1      PRO  38  -5.128  -7.479   3.806
  254    HD2  PRO  38           HD2      PRO  38  -6.417  -5.735   5.457
  255    HD3  PRO  38           HD1      PRO  38  -5.034  -5.272   4.443
  256    H    VAL  39           HN       VAL  39  -9.308  -3.968   1.997
  257    HA   VAL  39           HA       VAL  39 -11.357  -5.494   3.182
  258    HB   VAL  39           HB       VAL  39 -11.675  -3.290   1.138
  259   HG11  VAL  39          HG11      VAL  39 -13.875  -2.967   2.145
  260   HG12  VAL  39          HG12      VAL  39 -13.586  -4.321   3.235
  261   HG13  VAL  39          HG13      VAL  39 -13.711  -4.598   1.499
  262   HG21  VAL  39          HG21      VAL  39 -11.922  -1.790   3.071
  263   HG22  VAL  39          HG22      VAL  39 -10.318  -2.518   3.002
  264   HG23  VAL  39          HG23      VAL  39 -11.513  -3.125   4.148
  265    H    GLU  40           HN       GLU  40 -11.814  -7.450   2.448
  266    HA   GLU  40           HA       GLU  40 -11.752  -8.204  -0.297
  267    HB2  GLU  40           HB2      GLU  40 -11.390  -9.744   1.658
  268    HB3  GLU  40           HB1      GLU  40 -13.106  -9.619   2.008
  269    HG2  GLU  40           HG2      GLU  40 -12.553 -11.668   0.804
  270    HG3  GLU  40           HG1      GLU  40 -13.650 -10.637  -0.113
  271    H    ALA  41           HN       ALA  41 -13.083  -6.547  -1.183
  272    HA   ALA  41           HA       ALA  41 -15.772  -7.244  -1.645
  273    HB1  ALA  41           HB1      ALA  41 -16.122  -6.377   0.627
  274    HB2  ALA  41           HB2      ALA  41 -16.920  -5.369  -0.579
  275    HB3  ALA  41           HB3      ALA  41 -15.404  -4.840   0.149
  276    H    GLU  42           HN       GLU  42 -13.163  -4.968  -1.708
  277    HA   GLU  42           HA       GLU  42 -13.736  -4.346  -4.467
  278    HB2  GLU  42           HB2      GLU  42 -13.631  -1.894  -4.130
  279    HB3  GLU  42           HB1      GLU  42 -15.048  -2.617  -3.381
  280    HG2  GLU  42           HG2      GLU  42 -13.973  -2.506  -1.204
  281    HG3  GLU  42           HG1      GLU  42 -12.524  -1.827  -1.944
  282    H    ARG  43           HN       ARG  43 -11.733  -5.854  -3.545
  283    HA   ARG  43           HA       ARG  43  -9.388  -4.307  -2.857
  284    HB2  ARG  43           HB2      ARG  43 -10.078  -6.711  -2.105
  285    HB3  ARG  43           HB1      ARG  43  -9.357  -7.205  -3.629
  286    HG2  ARG  43           HG2      ARG  43  -7.274  -5.970  -2.861
  287    HG3  ARG  43           HG1      ARG  43  -8.037  -5.919  -1.267
  288    HD2  ARG  43           HD2      ARG  43  -6.654  -7.844  -1.289
  289    HD3  ARG  43           HD1      ARG  43  -8.315  -8.415  -1.447
  290    HE   ARG  43           HE       ARG  43  -6.542  -8.096  -3.780
  291   HH11  ARG  43          HH11      ARG  43  -8.795 -10.032  -1.904
  292   HH12  ARG  43          HH12      ARG  43  -8.803 -11.333  -3.047
  293   HH21  ARG  43          HH21      ARG  43  -6.569  -9.796  -5.270
  294   HH22  ARG  43          HH22      ARG  43  -7.536 -11.205  -4.963
  295    H    THR  44           HN       THR  44 -10.419  -3.507  -5.303
  296    HA   THR  44           HA       THR  44  -8.219  -3.674  -7.046
  297    HB   THR  44           HB       THR  44  -9.177  -6.010  -7.332
  298    HG1  THR  44           HG1      THR  44  -7.963  -5.445  -9.025
  299   HG21  THR  44          HG21      THR  44 -11.543  -5.521  -7.195
  300   HG22  THR  44          HG22      THR  44 -11.181  -6.220  -8.772
  301   HG23  THR  44          HG23      THR  44 -11.443  -4.485  -8.618
  302    HA   PRO  45           HA       PRO  45  -7.892  -3.316  -9.181
  303    HB2  PRO  45           HB2      PRO  45  -7.307  -0.839 -10.534
  304    HB3  PRO  45           HB1      PRO  45  -7.822  -2.375 -11.241
  305    HG2  PRO  45           HG2      PRO  45  -9.358  -0.100 -11.229
  306    HG3  PRO  45           HG1      PRO  45 -10.018  -1.748 -11.318
  307    HD2  PRO  45           HD2      PRO  45  -9.775   0.071  -8.938
  308    HD3  PRO  45           HD1      PRO  45 -11.117  -0.998  -9.402
  309    H    TRP  46           HN       TRP  46  -7.916   0.152  -8.351
  310    HA   TRP  46           HA       TRP  46  -5.783  -0.221  -6.432
  311    HB2  TRP  46           HB2      TRP  46  -4.478   0.002  -8.475
  312    HB3  TRP  46           HB1      TRP  46  -5.392   1.430  -8.945
  313    HD1  TRP  46           HD1      TRP  46  -2.691   0.306  -6.453
  314    HE1  TRP  46           HE1      TRP  46  -1.436   2.394  -5.615
  315    HE3  TRP  46           HE3      TRP  46  -5.610   3.917  -8.596
  316    HZ2  TRP  46           HZ2      TRP  46  -1.668   5.199  -5.832
  317    HZ3  TRP  46           HZ3      TRP  46  -5.024   6.278  -8.231
  318    HH2  TRP  46           HH2      TRP  46  -3.094   6.903  -6.877
  319    H    ASN  47           HN       ASN  47  -6.207   1.036  -4.757
  320    HA   ASN  47           HA       ASN  47  -7.333   3.700  -5.172
  321    HB2  ASN  47           HB2      ASN  47  -8.493   1.612  -3.309
  322    HB3  ASN  47           HB1      ASN  47  -8.876   3.325  -3.206
  323   HD21  ASN  47          HD21      ASN  47 -10.157   4.263  -4.785
  324   HD22  ASN  47          HD22      ASN  47 -11.098   3.321  -5.891
  325    H    CYS  48           HN       CYS  48  -5.917   5.047  -4.201
  326    HA   CYS  48           HA       CYS  48  -4.253   4.103  -2.029
  327    HB2  CYS  48           HB2      CYS  48  -3.334   5.638  -3.740
  328    HB3  CYS  48           HB1      CYS  48  -4.486   6.868  -3.247
  329    H    ILE  49           HN       ILE  49  -5.218   3.856  -0.145
  330    HA   ILE  49           HA       ILE  49  -7.626   4.971   0.651
  331    HB   ILE  49           HB       ILE  49  -6.908   4.366   3.016
  332   HG12  ILE  49          HG12      ILE  49  -4.493   3.302   1.528
  333   HG13  ILE  49          HG11      ILE  49  -4.493   4.592   2.722
  334   HG21  ILE  49          HG21      ILE  49  -7.030   1.933   2.555
  335   HG22  ILE  49          HG22      ILE  49  -6.842   2.282   0.837
  336   HG23  ILE  49          HG23      ILE  49  -8.257   2.872   1.707
  337   HD11  ILE  49          HD11      ILE  49  -3.685   2.522   3.673
  338   HD12  ILE  49          HD12      ILE  49  -5.187   1.712   3.225
  339   HD13  ILE  49          HD13      ILE  49  -5.204   3.001   4.430
  340    H    PHE  50           HN       PHE  50  -4.376   6.217   1.123
  341    HA   PHE  50           HA       PHE  50  -5.215   8.259   2.945
  342    HB2  PHE  50           HB2      PHE  50  -2.646   7.964   1.381
  343    HB3  PHE  50           HB1      PHE  50  -2.925   9.181   2.622
  344    HD1  PHE  50           HD1      PHE  50  -3.525   8.330   4.975
  345    HD2  PHE  50           HD2      PHE  50  -1.809   5.874   1.947
  346    HE1  PHE  50           HE1      PHE  50  -2.772   6.742   6.692
  347    HE2  PHE  50           HE2      PHE  50  -1.060   4.283   3.661
  348    HZ   PHE  50           HZ       PHE  50  -1.540   4.718   6.037
  349    H    CYS  51           HN       CYS  51  -4.265   8.312  -0.515
  350    HA   CYS  51           HA       CYS  51  -4.786  11.066  -0.849
  351    HB2  CYS  51           HB2      CYS  51  -4.589   8.797  -2.814
  352    HB3  CYS  51           HB1      CYS  51  -5.020  10.419  -3.337
  353    H    ARG  52           HN       ARG  52  -6.857   8.235  -1.091
  354    HA   ARG  52           HA       ARG  52  -9.065   9.752  -2.158
  355    HB2  ARG  52           HB2      ARG  52  -8.690   7.313  -2.624
  356    HB3  ARG  52           HB1      ARG  52  -9.102   6.981  -0.950
  357    HG2  ARG  52           HG2      ARG  52 -11.025   6.535  -2.267
  358    HG3  ARG  52           HG1      ARG  52 -11.334   8.020  -1.368
  359    HD2  ARG  52           HD2      ARG  52 -10.391   7.923  -4.234
  360    HD3  ARG  52           HD1      ARG  52 -12.075   8.094  -3.748
  361    HE   ARG  52           HE       ARG  52 -11.358  10.210  -2.637
  362   HH11  ARG  52          HH11      ARG  52  -9.501   8.894  -5.298
  363   HH12  ARG  52          HH12      ARG  52  -8.873  10.432  -5.788
  364   HH21  ARG  52          HH21      ARG  52 -10.522  12.235  -3.276
  365   HH22  ARG  52          HH22      ARG  52  -9.444  12.332  -4.632
  366    H    MET  53           HN       MET  53  -7.681   9.366   0.843
  367    HA   MET  53           HA       MET  53  -8.226   9.948   2.968
  368    HB2  MET  53           HB2      MET  53  -8.976  12.036   1.706
  369    HB3  MET  53           HB1      MET  53 -10.608  11.393   1.796
  370    HG2  MET  53           HG2      MET  53 -10.498  11.430   4.232
  371    HG3  MET  53           HG1      MET  53  -8.853  12.058   4.150
  372    HE1  MET  53           HE1      MET  53 -11.953  13.032   1.853
  373    HE2  MET  53           HE2      MET  53 -12.621  14.357   2.803
  374    HE3  MET  53           HE3      MET  53 -12.619  12.719   3.455
  375    H    LYS  54           HN       LYS  54  -9.151   7.505   1.909
  376    HA   LYS  54           HA       LYS  54 -11.725   7.140   3.288
  377    HB2  LYS  54           HB2      LYS  54 -11.809   6.769   0.828
  378    HB3  LYS  54           HB1      LYS  54 -10.593   5.512   0.999
  379    HG2  LYS  54           HG2      LYS  54 -12.151   4.238   2.423
  380    HG3  LYS  54           HG1      LYS  54 -13.372   5.485   2.163
  381    HD2  LYS  54           HD2      LYS  54 -13.393   5.038  -0.206
  382    HD3  LYS  54           HD1      LYS  54 -12.060   3.895  -0.039
  383    HE2  LYS  54           HE2      LYS  54 -14.198   2.733  -0.253
  384    HE3  LYS  54           HE1      LYS  54 -13.467   2.438   1.323
  385    HZ1  LYS  54           HZ1      LYS  54 -15.828   2.879   1.511
  386    HZ2  LYS  54           HZ2      LYS  54 -15.640   4.382   0.765
  387    HZ3  LYS  54           HZ3      LYS  54 -14.940   4.096   2.278
  388    H    GLU  55           HN       GLU  55 -10.238   6.996   5.170
  389    HA   GLU  55           HA       GLU  55  -9.354   4.219   5.513
  390    HB2  GLU  55           HB2      GLU  55  -7.617   6.353   5.382
  391    HB3  GLU  55           HB1      GLU  55  -7.889   6.196   7.110
  392    HG2  GLU  55           HG2      GLU  55  -6.929   4.001   5.286
  393    HG3  GLU  55           HG1      GLU  55  -5.918   4.962   6.360
  394    H    SER  56           HN       SER  56 -10.817   3.403   6.859
  395    HA   SER  56           HA       SER  56 -11.988   5.106   8.921
  396    HB2  SER  56           HB2      SER  56 -12.778   2.311   8.061
  397    HB3  SER  56           HB1      SER  56 -13.687   3.375   9.134
  398    HG   SER  56           HG       SER  56 -14.561   3.568   7.105
  Start of MODEL   12
    1    H1   GLY   1           HT1      GLY   1  17.771   2.983  -0.514
    2    H2   GLY   1           HT2      GLY   1  18.671   4.025  -1.496
    3    H3   GLY   1           HT3      GLY   1  17.577   4.657  -0.374
    4    HA2  GLY   1           HA1      GLY   1  19.869   4.877   0.392
    5    HA3  GLY   1           HA2      GLY   1  18.891   3.878   1.455
    6    H    ALA   2           HN       ALA   2  20.912   2.997   2.220
    7    HA   ALA   2           HA       ALA   2  22.635   1.562   0.427
    8    HB1  ALA   2           HB1      ALA   2  23.836   0.898   2.438
    9    HB2  ALA   2           HB2      ALA   2  22.525   1.513   3.441
   10    HB3  ALA   2           HB3      ALA   2  23.484   2.624   2.466
   11    H    MET   3           HN       MET   3  19.848   0.768   2.349
   12    HA   MET   3           HA       MET   3  20.294  -2.087   2.223
   13    HB2  MET   3           HB2      MET   3  19.031  -1.096   4.092
   14    HB3  MET   3           HB1      MET   3  17.809  -0.526   2.967
   15    HG2  MET   3           HG2      MET   3  17.336  -2.874   2.353
   16    HG3  MET   3           HG1      MET   3  18.476  -3.391   3.592
   17    HE1  MET   3           HE1      MET   3  18.065  -3.185   6.183
   18    HE2  MET   3           HE2      MET   3  16.747  -2.250   6.888
   19    HE3  MET   3           HE3      MET   3  18.011  -1.436   5.968
   20    H    GLY   4           HN       GLY   4  18.789   0.363   0.332
   21    HA2  GLY   4           HA2      GLY   4  18.724  -0.551  -2.092
   22    HA3  GLY   4           HA1      GLY   4  17.520  -1.634  -1.404
   23    H    MET   5           HN       MET   5  15.857  -0.866  -2.669
   24    HA   MET   5           HA       MET   5  14.860   1.784  -1.879
   25    HB2  MET   5           HB2      MET   5  15.803   1.900  -4.156
   26    HB3  MET   5           HB1      MET   5  14.742   0.593  -4.657
   27    HG2  MET   5           HG2      MET   5  12.797   1.994  -4.205
   28    HG3  MET   5           HG1      MET   5  13.862   3.304  -3.695
   29    HE1  MET   5           HE1      MET   5  15.688   4.257  -7.007
   30    HE2  MET   5           HE2      MET   5  16.255   3.113  -5.793
   31    HE3  MET   5           HE3      MET   5  15.481   4.616  -5.293
   32    H    ARG   6           HN       ARG   6  14.055  -1.333  -3.370
   33    HA   ARG   6           HA       ARG   6  11.360  -1.114  -2.228
   34    HB2  ARG   6           HB2      ARG   6  12.443  -2.890  -4.418
   35    HB3  ARG   6           HB1      ARG   6  10.829  -3.051  -3.741
   36    HG2  ARG   6           HG2      ARG   6  10.366  -0.710  -4.434
   37    HG3  ARG   6           HG1      ARG   6  11.939  -0.686  -5.234
   38    HD2  ARG   6           HD2      ARG   6  11.263  -2.508  -6.681
   39    HD3  ARG   6           HD1      ARG   6   9.720  -2.635  -5.838
   40    HE   ARG   6           HE       ARG   6  10.338  -0.076  -7.082
   41   HH11  ARG   6          HH11      ARG   6   8.628  -3.125  -7.238
   42   HH12  ARG   6          HH12      ARG   6   7.512  -2.587  -8.451
   43   HH21  ARG   6          HH21      ARG   6   8.867   0.641  -8.694
   44   HH22  ARG   6          HH22      ARG   6   7.648  -0.444  -9.282
   45    H    ASN   7           HN       ASN   7  12.360  -1.520  -0.146
   46    HA   ASN   7           HA       ASN   7  13.422  -4.140   0.399
   47    HB2  ASN   7           HB2      ASN   7  13.274  -3.306   2.811
   48    HB3  ASN   7           HB1      ASN   7  14.337  -2.414   1.730
   49   HD21  ASN   7          HD21      ASN   7  11.408  -2.326   3.585
   50   HD22  ASN   7          HD22      ASN   7  11.095  -0.636   3.394
   51    H    LEU   8           HN       LEU   8  11.349  -4.964  -0.676
   52    HA   LEU   8           HA       LEU   8   9.005  -4.941   1.050
   53    HB2  LEU   8           HB2      LEU   8   9.547  -5.741  -1.773
   54    HB3  LEU   8           HB1      LEU   8   8.134  -6.384  -0.964
   55    HG   LEU   8           HG       LEU   8   7.204  -4.180  -0.681
   56   HD11  LEU   8          HD11      LEU   8   8.307  -2.170  -1.500
   57   HD12  LEU   8          HD12      LEU   8   9.736  -3.115  -1.920
   58   HD13  LEU   8          HD13      LEU   8   9.258  -2.942  -0.232
   59   HD21  LEU   8          HD21      LEU   8   8.298  -4.529  -3.465
   60   HD22  LEU   8          HD22      LEU   8   6.930  -3.512  -3.012
   61   HD23  LEU   8          HD23      LEU   8   6.828  -5.262  -2.822
   62    H    ASP   9           HN       ASP   9  11.505  -6.422   1.654
   63    HA   ASP   9           HA       ASP   9  10.650  -9.216   1.577
   64    HB2  ASP   9           HB2      ASP   9  12.835  -9.765   2.462
   65    HB3  ASP   9           HB1      ASP   9  13.036  -8.638   1.126
   66    H    GLU  10           HN       GLU  10  10.684  -6.504   3.618
   67    HA   GLU  10           HA       GLU  10  10.175  -7.987   6.059
   68    HB2  GLU  10           HB2      GLU  10   9.973  -5.722   7.070
   69    HB3  GLU  10           HB1      GLU  10  11.495  -5.948   6.215
   70    HG2  GLU  10           HG2      GLU  10  10.454  -4.787   4.252
   71    HG3  GLU  10           HG1      GLU  10   9.083  -4.413   5.292
   72    H    CYS  11           HN       CYS  11   8.493  -7.245   3.409
   73    HA   CYS  11           HA       CYS  11   5.932  -6.788   4.774
   74    HB2  CYS  11           HB2      CYS  11   6.708  -5.133   3.034
   75    HB3  CYS  11           HB1      CYS  11   6.578  -6.418   1.849
   76    H    GLU  12           HN       GLU  12   5.398  -8.905   5.298
   77    HA   GLU  12           HA       GLU  12   5.899 -11.119   3.638
   78    HB2  GLU  12           HB2      GLU  12   4.398 -12.371   5.110
   79    HB3  GLU  12           HB1      GLU  12   5.515 -11.379   6.032
   80    HG2  GLU  12           HG2      GLU  12   3.761  -9.740   6.403
   81    HG3  GLU  12           HG1      GLU  12   2.638 -10.713   5.456
   82    H    VAL  13           HN       VAL  13   3.274  -8.852   3.744
   83    HA   VAL  13           HA       VAL  13   1.454 -10.449   2.261
   84    HB   VAL  13           HB       VAL  13   0.611  -8.678   3.675
   85   HG11  VAL  13          HG11      VAL  13   2.491  -7.114   3.370
   86   HG12  VAL  13          HG12      VAL  13   0.912  -6.354   3.206
   87   HG13  VAL  13          HG13      VAL  13   1.864  -6.723   1.770
   88   HG21  VAL  13          HG21      VAL  13  -0.985  -7.683   2.173
   89   HG22  VAL  13          HG22      VAL  13  -0.687  -9.353   1.688
   90   HG23  VAL  13          HG23      VAL  13   0.057  -8.027   0.794
   91    H    CYS  14           HN       CYS  14   3.815  -7.943   1.346
   92    HA   CYS  14           HA       CYS  14   3.221  -7.929  -1.410
   93    HB2  CYS  14           HB2      CYS  14   5.533  -7.115   0.248
   94    HB3  CYS  14           HB1      CYS  14   5.891  -7.474  -1.435
   95    H    ARG  15           HN       ARG  15   5.232  -9.970   0.578
   96    HA   ARG  15           HA       ARG  15   6.466 -11.442  -1.497
   97    HB2  ARG  15           HB2      ARG  15   7.299 -11.365   0.827
   98    HB3  ARG  15           HB1      ARG  15   5.887 -12.271   1.351
   99    HG2  ARG  15           HG2      ARG  15   6.609 -14.150  -0.074
  100    HG3  ARG  15           HG1      ARG  15   8.068 -13.244  -0.482
  101    HD2  ARG  15           HD2      ARG  15   8.663 -13.169   1.904
  102    HD3  ARG  15           HD1      ARG  15   7.229 -14.122   2.277
  103    HE   ARG  15           HE       ARG  15   9.412 -15.147   0.568
  104   HH11  ARG  15          HH11      ARG  15   7.138 -15.563   3.206
  105   HH12  ARG  15          HH12      ARG  15   7.603 -17.206   3.509
  106   HH21  ARG  15          HH21      ARG  15  10.029 -17.304   0.988
  107   HH22  ARG  15          HH22      ARG  15   9.240 -18.192   2.255
  108    H    ASP  16           HN       ASP  16   3.522 -11.914   0.372
  109    HA   ASP  16           HA       ASP  16   2.816 -14.384  -0.838
  110    HB2  ASP  16           HB2      ASP  16   1.983 -13.665   1.367
  111    HB3  ASP  16           HB1      ASP  16   1.069 -12.375   0.597
  112    H    GLY  17           HN       GLY  17   2.655 -11.181  -1.969
  113    HA2  GLY  17           HA2      GLY  17   2.093 -10.636  -4.205
  114    HA3  GLY  17           HA1      GLY  17   1.084 -12.073  -4.274
  115    H    GLY  18           HN       GLY  18   0.769 -10.141  -1.489
  116    HA2  GLY  18           HA2      GLY  18  -1.949  -9.572  -1.902
  117    HA3  GLY  18           HA1      GLY  18  -0.932  -8.840  -0.679
  118    H    GLU  19           HN       GLU  19  -2.911  -7.390  -1.771
  119    HA   GLU  19           HA       GLU  19  -1.937  -5.816  -3.988
  120    HB2  GLU  19           HB2      GLU  19  -4.423  -5.638  -2.288
  121    HB3  GLU  19           HB1      GLU  19  -4.070  -4.539  -3.613
  122    HG2  GLU  19           HG2      GLU  19  -4.319  -7.520  -3.902
  123    HG3  GLU  19           HG1      GLU  19  -5.626  -6.375  -4.199
  124    H    LEU  20           HN       LEU  20  -1.708  -3.534  -3.893
  125    HA   LEU  20           HA       LEU  20  -1.039  -2.453  -1.237
  126    HB2  LEU  20           HB2      LEU  20   0.899  -3.097  -2.863
  127    HB3  LEU  20           HB1      LEU  20   0.419  -1.666  -3.749
  128    HG   LEU  20           HG       LEU  20   1.302  -1.671  -0.858
  129   HD11  LEU  20          HD11      LEU  20   2.819  -0.867  -3.340
  130   HD12  LEU  20          HD12      LEU  20   3.113  -2.318  -2.381
  131   HD13  LEU  20          HD13      LEU  20   3.386  -0.725  -1.676
  132   HD21  LEU  20          HD21      LEU  20   1.469   0.742  -1.132
  133   HD22  LEU  20          HD22      LEU  20  -0.181   0.197  -1.437
  134   HD23  LEU  20          HD23      LEU  20   0.875   0.613  -2.786
  135    H    PHE  21           HN       PHE  21  -2.170  -0.616  -0.807
  136    HA   PHE  21           HA       PHE  21  -3.661   0.545  -3.068
  137    HB2  PHE  21           HB2      PHE  21  -4.390   0.475  -0.128
  138    HB3  PHE  21           HB1      PHE  21  -5.369   1.191  -1.407
  139    HD1  PHE  21           HD2      PHE  21  -6.070  -0.393  -3.344
  140    HD2  PHE  21           HD1      PHE  21  -4.721  -1.749   0.465
  141    HE1  PHE  21           HE2      PHE  21  -7.156  -2.565  -3.731
  142    HE2  PHE  21           HE1      PHE  21  -5.808  -3.921   0.076
  143    HZ   PHE  21           HZ       PHE  21  -7.026  -4.331  -2.017
  144    H    CYS  22           HN       CYS  22  -1.383   1.692  -3.144
  145    HA   CYS  22           HA       CYS  22  -1.836   4.378  -2.159
  146    HB2  CYS  22           HB2      CYS  22   0.365   2.622  -1.142
  147    HB3  CYS  22           HB1      CYS  22   0.678   4.340  -1.350
  148    H    CYS  23           HN       CYS  23  -0.527   5.963  -3.205
  149    HA   CYS  23           HA       CYS  23   0.322   5.331  -5.863
  150    HB2  CYS  23           HB2      CYS  23   1.045   7.871  -4.410
  151    HB3  CYS  23           HB1      CYS  23   0.710   7.646  -6.126
  152    H    ASP  24           HN       ASP  24   2.591   6.031  -6.620
  153    HA   ASP  24           HA       ASP  24   4.514   4.405  -5.490
  154    HB2  ASP  24           HB2      ASP  24   4.909   6.926  -7.115
  155    HB3  ASP  24           HB1      ASP  24   6.187   5.773  -6.755
  156    H    THR  25           HN       THR  25   4.141   7.905  -5.009
  157    HA   THR  25           HA       THR  25   6.246   8.216  -3.171
  158    HB   THR  25           HB       THR  25   3.707   9.846  -3.401
  159    HG1  THR  25           HG1      THR  25   4.964   9.783  -5.347
  160   HG21  THR  25          HG21      THR  25   4.882  10.234  -1.286
  161   HG22  THR  25          HG22      THR  25   4.997  11.637  -2.347
  162   HG23  THR  25          HG23      THR  25   6.374  10.550  -2.172
  163    H    CYS  26           HN       CYS  26   2.770   7.734  -2.645
  164    HA   CYS  26           HA       CYS  26   2.837   7.931   0.154
  165    HB2  CYS  26           HB2      CYS  26   0.819   6.421  -1.516
  166    HB3  CYS  26           HB1      CYS  26   0.561   7.139   0.071
  167    H    SER  27           HN       SER  27   3.117   5.154  -2.008
  168    HA   SER  27           HA       SER  27   2.987   3.113  -0.073
  169    HB2  SER  27           HB2      SER  27   4.452   3.151  -2.721
  170    HB3  SER  27           HB1      SER  27   4.042   1.709  -1.794
  171    HG   SER  27           HG       SER  27   2.505   2.062  -3.398
  172    H    ARG  28           HN       ARG  28   5.631   5.119  -1.196
  173    HA   ARG  28           HA       ARG  28   7.712   3.531  -0.099
  174    HB2  ARG  28           HB2      ARG  28   7.597   6.401  -1.006
  175    HB3  ARG  28           HB1      ARG  28   9.078   5.624  -0.460
  176    HG2  ARG  28           HG2      ARG  28   9.019   4.074  -2.271
  177    HG3  ARG  28           HG1      ARG  28   7.403   4.601  -2.741
  178    HD2  ARG  28           HD2      ARG  28   8.297   6.825  -3.269
  179    HD3  ARG  28           HD1      ARG  28   9.913   6.271  -2.832
  180    HE   ARG  28           HE       ARG  28   9.473   4.541  -4.687
  181   HH11  ARG  28          HH11      ARG  28   8.350   7.852  -4.721
  182   HH12  ARG  28          HH12      ARG  28   8.335   7.961  -6.452
  183   HH21  ARG  28          HH21      ARG  28   9.442   4.682  -6.966
  184   HH22  ARG  28          HH22      ARG  28   8.955   6.164  -7.725
  185    H    VAL  29           HN       VAL  29   5.673   6.054   1.154
  186    HA   VAL  29           HA       VAL  29   7.392   6.468   3.449
  187    HB   VAL  29           HB       VAL  29   4.724   7.755   2.898
  188   HG11  VAL  29          HG11      VAL  29   7.008   8.548   4.701
  189   HG12  VAL  29          HG12      VAL  29   5.445   7.914   5.214
  190   HG13  VAL  29          HG13      VAL  29   5.541   9.488   4.427
  191   HG21  VAL  29          HG21      VAL  29   5.983   9.651   2.010
  192   HG22  VAL  29          HG22      VAL  29   6.267   8.197   1.054
  193   HG23  VAL  29          HG23      VAL  29   7.485   8.748   2.202
  194    H    PHE  30           HN       PHE  30   4.148   5.167   2.769
  195    HA   PHE  30           HA       PHE  30   4.108   4.186   5.558
  196    HB2  PHE  30           HB2      PHE  30   1.686   4.989   3.936
  197    HB3  PHE  30           HB1      PHE  30   1.704   4.464   5.613
  198    HD1  PHE  30           HD2      PHE  30   3.138   5.930   7.237
  199    HD2  PHE  30           HD1      PHE  30   1.671   7.252   3.461
  200    HE1  PHE  30           HE2      PHE  30   3.383   8.265   7.963
  201    HE2  PHE  30           HE1      PHE  30   1.917   9.590   4.184
  202    HZ   PHE  30           HZ       PHE  30   2.674  10.103   6.453
  203    H    HIS  31           HN       HIS  31   5.232   2.614   3.659
  204    HA   HIS  31           HA       HIS  31   3.708   1.050   2.010
  205    HB2  HIS  31           HB2      HIS  31   6.226   1.061   2.262
  206    HB3  HIS  31           HB1      HIS  31   6.019  -0.010   3.639
  207    HD1  HIS  31           HD1      HIS  31   5.019  -0.027  -0.065
  208    HD2  HIS  31           HD2      HIS  31   6.244  -2.584   2.970
  209    HE1  HIS  31           HE1      HIS  31   5.281  -2.315  -1.124
  210    H    GLU  32           HN       GLU  32   4.312   0.484   5.468
  211    HA   GLU  32           HA       GLU  32   3.102  -2.069   5.560
  212    HB2  GLU  32           HB2      GLU  32   3.482  -0.046   7.772
  213    HB3  GLU  32           HB1      GLU  32   3.087  -1.743   8.004
  214    HG2  GLU  32           HG2      GLU  32   5.605  -0.694   6.733
  215    HG3  GLU  32           HG1      GLU  32   5.458  -1.273   8.390
  216    H    ASP  33           HN       ASP  33   1.888   1.159   6.293
  217    HA   ASP  33           HA       ASP  33  -0.711   0.317   7.101
  218    HB2  ASP  33           HB2      ASP  33   0.441   2.978   6.309
  219    HB3  ASP  33           HB1      ASP  33  -1.272   2.791   6.664
  220    H    CYS  34           HN       CYS  34   0.779   0.931   4.075
  221    HA   CYS  34           HA       CYS  34  -1.617   1.482   2.607
  222    HB2  CYS  34           HB2      CYS  34   1.231   0.908   1.819
  223    HB3  CYS  34           HB1      CYS  34  -0.040   1.150   0.621
  224    H    HIS  35           HN       HIS  35  -0.413  -1.354   3.884
  225    HA   HIS  35           HA       HIS  35  -1.708  -2.974   1.790
  226    HB2  HIS  35           HB2      HIS  35   0.326  -3.726   3.886
  227    HB3  HIS  35           HB1      HIS  35  -0.554  -4.914   2.933
  228    HD1  HIS  35           HD1      HIS  35   0.123  -5.149   0.416
  229    HD2  HIS  35           HD2      HIS  35   2.285  -2.318   2.553
  230    HE1  HIS  35           HE1      HIS  35   2.151  -4.592  -0.987
  231    H    ILE  36           HN       ILE  36  -1.857  -2.046   5.123
  232    HA   ILE  36           HA       ILE  36  -4.098  -3.896   5.544
  233    HB   ILE  36           HB       ILE  36  -1.953  -3.258   7.582
  234   HG12  ILE  36          HG12      ILE  36  -2.484  -5.839   6.090
  235   HG13  ILE  36          HG11      ILE  36  -1.142  -4.744   5.777
  236   HG21  ILE  36          HG21      ILE  36  -3.032  -4.940   8.972
  237   HG22  ILE  36          HG22      ILE  36  -4.265  -5.186   7.737
  238   HG23  ILE  36          HG23      ILE  36  -4.155  -3.638   8.577
  239   HD11  ILE  36          HD11      ILE  36  -1.625  -6.284   8.316
  240   HD12  ILE  36          HD12      ILE  36  -0.290  -5.166   8.034
  241   HD13  ILE  36          HD13      ILE  36  -0.418  -6.644   7.082
  242    HA   PRO  37           HA       PRO  37  -5.702  -4.216   6.644
  243    HB2  PRO  37           HB2      PRO  37  -8.304  -3.642   6.912
  244    HB3  PRO  37           HB1      PRO  37  -7.209  -3.630   8.304
  245    HG2  PRO  37           HG2      PRO  37  -8.331  -1.346   6.739
  246    HG3  PRO  37           HG1      PRO  37  -8.024  -1.472   8.480
  247    HD2  PRO  37           HD2      PRO  37  -6.367  -0.216   6.616
  248    HD3  PRO  37           HD1      PRO  37  -5.897  -0.710   8.253
  249    HA   PRO  38           HA       PRO  38  -6.508  -3.740   2.265
  250    HB2  PRO  38           HB2      PRO  38  -6.552  -6.339   1.597
  251    HB3  PRO  38           HB1      PRO  38  -5.050  -5.508   2.018
  252    HG2  PRO  38           HG2      PRO  38  -6.758  -7.299   3.704
  253    HG3  PRO  38           HG1      PRO  38  -4.992  -7.255   3.557
  254    HD2  PRO  38           HD2      PRO  38  -6.364  -6.086   5.616
  255    HD3  PRO  38           HD1      PRO  38  -4.791  -5.511   5.037
  256    H    VAL  39           HN       VAL  39  -8.590  -5.170   4.557
  257    HA   VAL  39           HA       VAL  39 -10.692  -5.524   2.529
  258    HB   VAL  39           HB       VAL  39 -10.717  -6.574   5.360
  259   HG11  VAL  39          HG11      VAL  39 -12.508  -8.030   4.541
  260   HG12  VAL  39          HG12      VAL  39 -12.420  -7.242   2.966
  261   HG13  VAL  39          HG13      VAL  39 -12.926  -6.324   4.385
  262   HG21  VAL  39          HG21      VAL  39  -9.967  -8.014   2.821
  263   HG22  VAL  39          HG22      VAL  39 -10.170  -8.763   4.402
  264   HG23  VAL  39          HG23      VAL  39  -8.877  -7.595   4.140
  265    H    GLU  40           HN       GLU  40  -9.820  -3.775   5.415
  266    HA   GLU  40           HA       GLU  40 -12.544  -2.764   5.671
  267    HB2  GLU  40           HB2      GLU  40 -11.230  -3.666   7.650
  268    HB3  GLU  40           HB1      GLU  40 -10.245  -2.213   7.539
  269    HG2  GLU  40           HG2      GLU  40 -11.954  -1.938   9.216
  270    HG3  GLU  40           HG1      GLU  40 -12.248  -0.844   7.866
  271    H    ALA  41           HN       ALA  41  -9.396  -1.722   4.639
  272    HA   ALA  41           HA       ALA  41 -10.202   1.084   4.779
  273    HB1  ALA  41           HB1      ALA  41  -7.907   1.612   4.184
  274    HB2  ALA  41           HB2      ALA  41  -7.555  -0.100   3.947
  275    HB3  ALA  41           HB3      ALA  41  -7.954   0.506   5.555
  276    H    GLU  42           HN       GLU  42  -9.720  -1.478   2.486
  277    HA   GLU  42           HA       GLU  42 -10.719   0.257   0.369
  278    HB2  GLU  42           HB2      GLU  42  -8.000  -0.407   0.589
  279    HB3  GLU  42           HB1      GLU  42  -8.634  -1.459  -0.669
  280    HG2  GLU  42           HG2      GLU  42  -8.833   1.541  -0.594
  281    HG3  GLU  42           HG1      GLU  42  -7.752   0.589  -1.611
  282    H    ARG  43           HN       ARG  43 -11.557  -0.968  -1.468
  283    HA   ARG  43           HA       ARG  43 -11.998  -3.815  -0.897
  284    HB2  ARG  43           HB2      ARG  43 -14.093  -1.763  -1.581
  285    HB3  ARG  43           HB1      ARG  43 -14.355  -3.481  -1.818
  286    HG2  ARG  43           HG2      ARG  43 -13.637  -2.252   0.834
  287    HG3  ARG  43           HG1      ARG  43 -15.291  -2.555   0.303
  288    HD2  ARG  43           HD2      ARG  43 -14.565  -4.369   1.718
  289    HD3  ARG  43           HD1      ARG  43 -14.731  -4.955   0.064
  290    HE   ARG  43           HE       ARG  43 -12.069  -4.119   0.908
  291   HH11  ARG  43          HH11      ARG  43 -14.311  -6.759   0.383
  292   HH12  ARG  43          HH12      ARG  43 -13.066  -7.958   0.240
  293   HH21  ARG  43          HH21      ARG  43 -10.418  -5.693   0.717
  294   HH22  ARG  43          HH22      ARG  43 -10.849  -7.354   0.444
  295    H    THR  44           HN       THR  44 -10.214  -2.390  -2.731
  296    HA   THR  44           HA       THR  44  -9.305  -2.708  -4.771
  297    HB   THR  44           HB       THR  44  -9.842  -4.776  -6.029
  298    HG1  THR  44           HG1      THR  44 -12.106  -4.686  -4.524
  299   HG21  THR  44          HG21      THR  44  -9.517  -5.181  -3.060
  300   HG22  THR  44          HG22      THR  44  -8.220  -4.864  -4.211
  301   HG23  THR  44          HG23      THR  44  -9.135  -6.367  -4.306
  302    HA   PRO  45           HA       PRO  45  -9.151  -3.744  -7.267
  303    HB2  PRO  45           HB2      PRO  45  -8.268  -2.095  -9.247
  304    HB3  PRO  45           HB1      PRO  45  -9.497  -3.344  -9.486
  305    HG2  PRO  45           HG2      PRO  45  -9.837  -0.399  -9.061
  306    HG3  PRO  45           HG1      PRO  45 -10.689  -1.482 -10.185
  307    HD2  PRO  45           HD2      PRO  45 -11.790  -0.674  -7.850
  308    HD3  PRO  45           HD1      PRO  45 -12.110  -2.277  -8.543
  309    H    TRP  46           HN       TRP  46  -8.864  -0.163  -7.335
  310    HA   TRP  46           HA       TRP  46  -6.627  -0.318  -5.496
  311    HB2  TRP  46           HB2      TRP  46  -5.588  -0.784  -7.697
  312    HB3  TRP  46           HB1      TRP  46  -6.245   0.726  -8.313
  313    HD1  TRP  46           HD1      TRP  46  -3.484  -0.638  -6.065
  314    HE1  TRP  46           HE1      TRP  46  -1.768   1.227  -5.627
  315    HE3  TRP  46           HE3      TRP  46  -6.003   3.293  -8.158
  316    HZ2  TRP  46           HZ2      TRP  46  -1.517   4.000  -6.103
  317    HZ3  TRP  46           HZ3      TRP  46  -4.951   5.516  -8.125
  318    HH2  TRP  46           HH2      TRP  46  -2.756   5.862  -7.120
  319    H    ASN  47           HN       ASN  47  -6.970   1.251  -4.116
  320    HA   ASN  47           HA       ASN  47  -7.309   3.968  -5.113
  321    HB2  ASN  47           HB2      ASN  47  -9.179   2.605  -3.182
  322    HB3  ASN  47           HB1      ASN  47  -8.908   4.339  -3.080
  323   HD21  ASN  47          HD21      ASN  47  -8.685   4.833  -5.875
  324   HD22  ASN  47          HD22      ASN  47 -10.255   4.611  -6.566
  325    H    CYS  48           HN       CYS  48  -5.985   5.335  -4.031
  326    HA   CYS  48           HA       CYS  48  -4.261   4.254  -2.002
  327    HB2  CYS  48           HB2      CYS  48  -3.393   5.831  -3.665
  328    HB3  CYS  48           HB1      CYS  48  -4.512   7.060  -3.095
  329    H    ILE  49           HN       ILE  49  -5.094   3.944  -0.062
  330    HA   ILE  49           HA       ILE  49  -7.374   5.190   0.957
  331    HB   ILE  49           HB       ILE  49  -6.684   4.251   3.171
  332   HG12  ILE  49          HG12      ILE  49  -4.278   3.286   1.600
  333   HG13  ILE  49          HG11      ILE  49  -4.255   4.430   2.935
  334   HG21  ILE  49          HG21      ILE  49  -6.647   2.435   0.767
  335   HG22  ILE  49          HG22      ILE  49  -8.051   2.940   1.706
  336   HG23  ILE  49          HG23      ILE  49  -6.839   1.881   2.427
  337   HD11  ILE  49          HD11      ILE  49  -3.531   2.263   3.682
  338   HD12  ILE  49          HD12      ILE  49  -5.012   1.524   3.074
  339   HD13  ILE  49          HD13      ILE  49  -5.082   2.656   4.425
  340    H    PHE  50           HN       PHE  50  -4.003   6.115   1.212
  341    HA   PHE  50           HA       PHE  50  -4.474   8.052   3.262
  342    HB2  PHE  50           HB2      PHE  50  -2.138   7.434   1.483
  343    HB3  PHE  50           HB1      PHE  50  -2.153   8.907   2.452
  344    HD1  PHE  50           HD2      PHE  50  -2.115   5.232   2.574
  345    HD2  PHE  50           HD1      PHE  50  -1.923   8.840   4.826
  346    HE1  PHE  50           HE2      PHE  50  -1.376   3.963   4.543
  347    HE2  PHE  50           HE1      PHE  50  -1.184   7.577   6.797
  348    HZ   PHE  50           HZ       PHE  50  -0.911   5.139   6.661
  349    H    CYS  51           HN       CYS  51  -4.136   8.257  -0.287
  350    HA   CYS  51           HA       CYS  51  -4.447  11.084  -0.329
  351    HB2  CYS  51           HB2      CYS  51  -4.639   8.967  -2.447
  352    HB3  CYS  51           HB1      CYS  51  -5.117  10.624  -2.799
  353    H    ARG  52           HN       ARG  52  -6.699   8.415  -0.260
  354    HA   ARG  52           HA       ARG  52  -9.040   9.842  -0.906
  355    HB2  ARG  52           HB2      ARG  52  -8.606   7.442   0.880
  356    HB3  ARG  52           HB1      ARG  52 -10.198   8.074   0.485
  357    HG2  ARG  52           HG2      ARG  52  -8.209   7.131  -1.568
  358    HG3  ARG  52           HG1      ARG  52  -9.480   6.119  -0.880
  359    HD2  ARG  52           HD2      ARG  52  -9.965   8.718  -2.333
  360    HD3  ARG  52           HD1      ARG  52 -10.075   7.123  -3.078
  361    HE   ARG  52           HE       ARG  52 -11.823   6.714  -1.254
  362   HH11  ARG  52          HH11      ARG  52 -11.256   9.852  -2.725
  363   HH12  ARG  52          HH12      ARG  52 -12.903  10.368  -2.513
  364   HH21  ARG  52          HH21      ARG  52 -13.971   7.411  -0.978
  365   HH22  ARG  52          HH22      ARG  52 -14.441   8.990  -1.531
  366    H    MET  53           HN       MET  53  -7.106   9.646   1.975
  367    HA   MET  53           HA       MET  53  -9.041  11.059   3.597
  368    HB2  MET  53           HB2      MET  53  -6.170  10.312   4.190
  369    HB3  MET  53           HB1      MET  53  -7.305  10.994   5.347
  370    HG2  MET  53           HG2      MET  53  -7.524   8.320   3.986
  371    HG3  MET  53           HG1      MET  53  -7.106   8.616   5.673
  372    HE1  MET  53           HE1      MET  53 -10.657   6.980   5.882
  373    HE2  MET  53           HE2      MET  53  -8.968   6.869   6.378
  374    HE3  MET  53           HE3      MET  53  -9.410   6.619   4.689
  375    H    LYS  54           HN       LYS  54  -6.725  11.871   1.317
  376    HA   LYS  54           HA       LYS  54  -6.171  14.491   2.474
  377    HB2  LYS  54           HB2      LYS  54  -5.213  13.290  -0.133
  378    HB3  LYS  54           HB1      LYS  54  -4.699  14.834   0.527
  379    HG2  LYS  54           HG2      LYS  54  -4.175  12.103   1.681
  380    HG3  LYS  54           HG1      LYS  54  -3.001  13.200   0.951
  381    HD2  LYS  54           HD2      LYS  54  -4.551  13.687   3.498
  382    HD3  LYS  54           HD1      LYS  54  -2.851  13.237   3.389
  383    HE2  LYS  54           HE2      LYS  54  -2.352  15.325   2.241
  384    HE3  LYS  54           HE1      LYS  54  -4.057  15.768   2.271
  385    HZ1  LYS  54           HZ1      LYS  54  -2.854  16.873   4.032
  386    HZ2  LYS  54           HZ2      LYS  54  -2.314  15.393   4.645
  387    HZ3  LYS  54           HZ3      LYS  54  -3.958  15.776   4.696
  388    H    GLU  55           HN       GLU  55  -8.349  12.998   0.340
  389    HA   GLU  55           HA       GLU  55  -8.970  15.324  -1.215
  390    HB2  GLU  55           HB2      GLU  55 -10.522  12.759  -0.822
  391    HB3  GLU  55           HB1      GLU  55 -10.931  14.013  -1.982
  392    HG2  GLU  55           HG2      GLU  55  -8.760  13.649  -3.093
  393    HG3  GLU  55           HG1      GLU  55  -8.434  12.333  -1.966
  394    H    SER  56           HN       SER  56  -9.148  16.750   0.640
  395    HA   SER  56           HA       SER  56 -11.577  16.486   2.227
  396    HB2  SER  56           HB2      SER  56  -9.425  18.612   2.386
  397    HB3  SER  56           HB1      SER  56 -10.684  18.290   3.575
  398    HG   SER  56           HG       SER  56  -9.719  16.153   3.776
  Start of MODEL   13
    1    H1   GLY   1           HT1      GLY   1  20.912   0.810  -1.578
    2    H2   GLY   1           HT2      GLY   1  21.178   0.596  -3.231
    3    H3   GLY   1           HT3      GLY   1  19.847   1.492  -2.697
    4    HA2  GLY   1           HA1      GLY   1  22.693   2.245  -2.342
    5    HA3  GLY   1           HA2      GLY   1  21.587   2.954  -3.511
    6    H    ALA   2           HN       ALA   2  22.914   4.514  -1.639
    7    HA   ALA   2           HA       ALA   2  21.173   4.955   0.635
    8    HB1  ALA   2           HB1      ALA   2  22.775   6.673   1.279
    9    HB2  ALA   2           HB2      ALA   2  23.594   6.516  -0.275
   10    HB3  ALA   2           HB3      ALA   2  23.608   5.173   0.869
   11    H    MET   3           HN       MET   3  20.894   5.722  -2.517
   12    HA   MET   3           HA       MET   3  20.018   8.447  -2.330
   13    HB2  MET   3           HB2      MET   3  20.848   7.443  -4.440
   14    HB3  MET   3           HB1      MET   3  19.451   6.378  -4.465
   15    HG2  MET   3           HG2      MET   3  19.072   8.197  -5.971
   16    HG3  MET   3           HG1      MET   3  17.985   8.361  -4.594
   17    HE1  MET   3           HE1      MET   3  18.581  10.695  -6.668
   18    HE2  MET   3           HE2      MET   3  18.764  12.074  -5.586
   19    HE3  MET   3           HE3      MET   3  17.497  10.883  -5.292
   20    H    GLY   4           HN       GLY   4  18.319   5.355  -2.823
   21    HA2  GLY   4           HA2      GLY   4  15.929   6.593  -1.595
   22    HA3  GLY   4           HA1      GLY   4  15.831   5.460  -2.938
   23    H    MET   5           HN       MET   5  16.398   5.840   0.465
   24    HA   MET   5           HA       MET   5  16.831   2.968   0.804
   25    HB2  MET   5           HB2      MET   5  17.076   5.267   2.752
   26    HB3  MET   5           HB1      MET   5  17.383   3.582   3.154
   27    HG2  MET   5           HG2      MET   5  19.228   3.492   1.630
   28    HG3  MET   5           HG1      MET   5  18.863   5.108   1.028
   29    HE1  MET   5           HE1      MET   5  18.183   6.694   3.738
   30    HE2  MET   5           HE2      MET   5  19.162   7.301   2.403
   31    HE3  MET   5           HE3      MET   5  19.778   7.377   4.054
   32    H    ARG   6           HN       ARG   6  14.362   3.333  -0.026
   33    HA   ARG   6           HA       ARG   6  12.759   2.887   2.395
   34    HB2  ARG   6           HB2      ARG   6  11.916   4.445  -0.054
   35    HB3  ARG   6           HB1      ARG   6  10.806   3.905   1.195
   36    HG2  ARG   6           HG2      ARG   6  13.073   5.855   1.522
   37    HG3  ARG   6           HG1      ARG   6  11.348   6.223   1.529
   38    HD2  ARG   6           HD2      ARG   6  12.912   4.654   3.570
   39    HD3  ARG   6           HD1      ARG   6  12.099   6.198   3.793
   40    HE   ARG   6           HE       ARG   6  10.020   4.697   3.180
   41   HH11  ARG   6          HH11      ARG   6  12.744   3.927   5.246
   42   HH12  ARG   6          HH12      ARG   6  11.824   2.893   6.290
   43   HH21  ARG   6          HH21      ARG   6   8.808   3.319   4.556
   44   HH22  ARG   6          HH22      ARG   6   9.591   2.546   5.898
   45    H    ASN   7           HN       ASN   7  13.961   0.839   1.129
   46    HA   ASN   7           HA       ASN   7  11.887  -0.362  -0.557
   47    HB2  ASN   7           HB2      ASN   7  14.718  -1.267  -0.006
   48    HB3  ASN   7           HB1      ASN   7  13.566  -2.158  -0.986
   49   HD21  ASN   7          HD21      ASN   7  15.576   0.675  -0.792
   50   HD22  ASN   7          HD22      ASN   7  15.457   1.115  -2.461
   51    H    LEU   8           HN       LEU   8  10.350  -1.184   0.654
   52    HA   LEU   8           HA       LEU   8  11.024  -2.625   3.104
   53    HB2  LEU   8           HB2      LEU   8   8.361  -1.766   1.968
   54    HB3  LEU   8           HB1      LEU   8   8.555  -2.648   3.464
   55    HG   LEU   8           HG       LEU   8   8.201  -0.437   4.125
   56   HD11  LEU   8          HD11      LEU   8  10.083  -1.459   5.281
   57   HD12  LEU   8          HD12      LEU   8  10.266   0.290   5.154
   58   HD13  LEU   8          HD13      LEU   8  11.189  -0.772   4.092
   59   HD21  LEU   8          HD21      LEU   8  10.194   0.443   2.047
   60   HD22  LEU   8          HD22      LEU   8   9.377   1.498   3.200
   61   HD23  LEU   8          HD23      LEU   8   8.444   0.643   1.972
   62    H    ASP   9           HN       ASP   9  11.932  -4.510   2.106
   63    HA   ASP   9           HA       ASP   9  10.266  -5.937   0.193
   64    HB2  ASP   9           HB2      ASP   9  12.225  -7.236  -0.295
   65    HB3  ASP   9           HB1      ASP   9  12.723  -5.549  -0.226
   66    H    GLU  10           HN       GLU  10  10.776  -5.798   3.469
   67    HA   GLU  10           HA       GLU  10  10.475  -8.651   3.934
   68    HB2  GLU  10           HB2      GLU  10  10.668  -6.374   5.907
   69    HB3  GLU  10           HB1      GLU  10  10.650  -8.081   6.320
   70    HG2  GLU  10           HG2      GLU  10  12.733  -8.374   5.028
   71    HG3  GLU  10           HG1      GLU  10  12.762  -6.635   4.742
   72    H    CYS  11           HN       CYS  11   8.558  -6.107   3.202
   73    HA   CYS  11           HA       CYS  11   6.204  -6.561   4.635
   74    HB2  CYS  11           HB2      CYS  11   6.511  -4.636   3.171
   75    HB3  CYS  11           HB1      CYS  11   6.662  -5.686   1.776
   76    H    GLU  12           HN       GLU  12   5.641  -8.633   4.960
   77    HA   GLU  12           HA       GLU  12   6.173 -10.726   3.161
   78    HB2  GLU  12           HB2      GLU  12   4.574 -10.496   5.669
   79    HB3  GLU  12           HB1      GLU  12   4.484 -11.963   4.704
   80    HG2  GLU  12           HG2      GLU  12   6.986 -10.765   5.868
   81    HG3  GLU  12           HG1      GLU  12   6.124 -12.177   6.482
   82    H    VAL  13           HN       VAL  13   3.347  -8.716   3.655
   83    HA   VAL  13           HA       VAL  13   1.557 -10.387   2.256
   84    HB   VAL  13           HB       VAL  13   0.699  -8.701   3.752
   85   HG11  VAL  13          HG11      VAL  13   2.458  -7.029   3.425
   86   HG12  VAL  13          HG12      VAL  13   0.841  -6.340   3.309
   87   HG13  VAL  13          HG13      VAL  13   1.777  -6.644   1.846
   88   HG21  VAL  13          HG21      VAL  13  -0.051  -8.060   0.910
   89   HG22  VAL  13          HG22      VAL  13  -1.009  -7.687   2.343
   90   HG23  VAL  13          HG23      VAL  13  -0.724  -9.367   1.885
   91    H    CYS  14           HN       CYS  14   3.735  -7.792   1.223
   92    HA   CYS  14           HA       CYS  14   2.934  -7.683  -1.470
   93    HB2  CYS  14           HB2      CYS  14   5.331  -6.905   0.062
   94    HB3  CYS  14           HB1      CYS  14   5.611  -7.227  -1.643
   95    H    ARG  15           HN       ARG  15   5.174  -9.749   0.240
   96    HA   ARG  15           HA       ARG  15   6.191 -11.078  -2.057
   97    HB2  ARG  15           HB2      ARG  15   6.190 -11.944   0.833
   98    HB3  ARG  15           HB1      ARG  15   7.157 -12.666  -0.446
   99    HG2  ARG  15           HG2      ARG  15   8.297 -10.504  -0.762
  100    HG3  ARG  15           HG1      ARG  15   7.366  -9.846   0.583
  101    HD2  ARG  15           HD2      ARG  15   9.500 -10.487   1.429
  102    HD3  ARG  15           HD1      ARG  15   8.320 -11.658   2.017
  103    HE   ARG  15           HE       ARG  15   9.813 -12.322  -0.411
  104   HH11  ARG  15          HH11      ARG  15   9.268 -12.848   3.016
  105   HH12  ARG  15          HH12      ARG  15  10.204 -14.310   3.060
  106   HH21  ARG  15          HH21      ARG  15  11.027 -14.246  -0.355
  107   HH22  ARG  15          HH22      ARG  15  11.190 -15.116   1.139
  108    H    ASP  16           HN       ASP  16   3.583 -11.719   0.201
  109    HA   ASP  16           HA       ASP  16   2.896 -14.258  -0.901
  110    HB2  ASP  16           HB2      ASP  16   1.585 -12.362   1.008
  111    HB3  ASP  16           HB1      ASP  16   0.647 -13.687   0.328
  112    H    GLY  17           HN       GLY  17   2.634 -11.231  -2.202
  113    HA2  GLY  17           HA2      GLY  17   1.744 -10.736  -4.304
  114    HA3  GLY  17           HA1      GLY  17   0.814 -12.227  -4.233
  115    H    GLY  18           HN       GLY  18   0.675 -10.187  -1.502
  116    HA2  GLY  18           HA2      GLY  18  -2.117  -9.808  -1.677
  117    HA3  GLY  18           HA1      GLY  18  -1.038  -8.996  -0.557
  118    H    GLU  19           HN       GLU  19  -2.961  -7.455  -1.238
  119    HA   GLU  19           HA       GLU  19  -2.371  -6.047  -3.722
  120    HB2  GLU  19           HB2      GLU  19  -4.667  -5.752  -1.782
  121    HB3  GLU  19           HB1      GLU  19  -4.544  -4.971  -3.356
  122    HG2  GLU  19           HG2      GLU  19  -4.686  -7.050  -4.491
  123    HG3  GLU  19           HG1      GLU  19  -4.515  -7.951  -2.987
  124    H    LEU  20           HN       LEU  20  -1.868  -3.891  -3.833
  125    HA   LEU  20           HA       LEU  20  -0.971  -2.652  -1.312
  126    HB2  LEU  20           HB2      LEU  20   0.703  -3.311  -3.174
  127    HB3  LEU  20           HB1      LEU  20   0.042  -1.957  -4.064
  128    HG   LEU  20           HG       LEU  20   1.265  -1.644  -1.321
  129   HD11  LEU  20          HD11      LEU  20   3.297  -0.889  -2.478
  130   HD12  LEU  20          HD12      LEU  20   2.588  -1.368  -4.020
  131   HD13  LEU  20          HD13      LEU  20   2.951  -2.589  -2.801
  132   HD21  LEU  20          HD21      LEU  20   1.468   0.679  -1.940
  133   HD22  LEU  20          HD22      LEU  20  -0.211   0.175  -2.145
  134   HD23  LEU  20          HD23      LEU  20   0.838   0.346  -3.552
  135    H    PHE  21           HN       PHE  21  -1.909  -0.752  -0.746
  136    HA   PHE  21           HA       PHE  21  -3.780   0.418  -2.710
  137    HB2  PHE  21           HB2      PHE  21  -4.030   0.422   0.312
  138    HB3  PHE  21           HB1      PHE  21  -5.229   1.004  -0.842
  139    HD1  PHE  21           HD2      PHE  21  -5.660  -0.943  -2.767
  140    HD2  PHE  21           HD1      PHE  21  -4.620  -1.551   1.319
  141    HE1  PHE  21           HE2      PHE  21  -6.665  -3.187  -2.844
  142    HE2  PHE  21           HE1      PHE  21  -5.621  -3.793   1.241
  143    HZ   PHE  21           HZ       PHE  21  -6.646  -4.612  -0.838
  144    H    CYS  22           HN       CYS  22  -1.402   1.492  -3.036
  145    HA   CYS  22           HA       CYS  22  -1.719   4.192  -2.055
  146    HB2  CYS  22           HB2      CYS  22   0.375   2.377  -0.997
  147    HB3  CYS  22           HB1      CYS  22   0.877   4.018  -1.393
  148    H    CYS  23           HN       CYS  23  -0.208   5.704  -3.030
  149    HA   CYS  23           HA       CYS  23   0.497   5.011  -5.745
  150    HB2  CYS  23           HB2      CYS  23   1.181   7.601  -4.346
  151    HB3  CYS  23           HB1      CYS  23   0.896   7.333  -6.067
  152    H    ASP  24           HN       ASP  24   2.790   5.919  -6.472
  153    HA   ASP  24           HA       ASP  24   4.766   4.335  -5.314
  154    HB2  ASP  24           HB2      ASP  24   5.064   6.853  -6.964
  155    HB3  ASP  24           HB1      ASP  24   6.383   5.752  -6.584
  156    H    THR  25           HN       THR  25   4.205   7.813  -4.919
  157    HA   THR  25           HA       THR  25   6.266   8.293  -3.072
  158    HB   THR  25           HB       THR  25   3.633   9.767  -3.201
  159    HG1  THR  25           HG1      THR  25   5.778   9.649  -4.990
  160   HG21  THR  25          HG21      THR  25   5.089  10.387  -1.332
  161   HG22  THR  25          HG22      THR  25   4.979  11.694  -2.510
  162   HG23  THR  25          HG23      THR  25   6.416  10.674  -2.459
  163    H    CYS  26           HN       CYS  26   2.828   7.609  -2.580
  164    HA   CYS  26           HA       CYS  26   2.851   7.836   0.223
  165    HB2  CYS  26           HB2      CYS  26   0.921   6.255  -1.485
  166    HB3  CYS  26           HB1      CYS  26   0.609   6.939   0.108
  167    H    SER  27           HN       SER  27   3.384   5.118  -1.927
  168    HA   SER  27           HA       SER  27   3.260   3.093   0.062
  169    HB2  SER  27           HB2      SER  27   2.969   2.687  -2.378
  170    HB3  SER  27           HB1      SER  27   4.684   3.023  -2.610
  171    HG   SER  27           HG       SER  27   5.085   1.054  -2.031
  172    H    ARG  28           HN       ARG  28   5.816   5.191  -1.103
  173    HA   ARG  28           HA       ARG  28   7.980   3.695  -0.034
  174    HB2  ARG  28           HB2      ARG  28   7.674   6.528  -0.968
  175    HB3  ARG  28           HB1      ARG  28   9.174   5.971  -0.240
  176    HG2  ARG  28           HG2      ARG  28   9.419   4.291  -1.968
  177    HG3  ARG  28           HG1      ARG  28   7.875   4.770  -2.677
  178    HD2  ARG  28           HD2      ARG  28   9.776   5.736  -3.887
  179    HD3  ARG  28           HD1      ARG  28   8.754   6.976  -3.161
  180    HE   ARG  28           HE       ARG  28  10.459   7.159  -1.387
  181   HH11  ARG  28          HH11      ARG  28  11.398   5.672  -4.420
  182   HH12  ARG  28          HH12      ARG  28  13.063   6.131  -4.280
  183   HH21  ARG  28          HH21      ARG  28  12.652   7.777  -1.203
  184   HH22  ARG  28          HH22      ARG  28  13.770   7.358  -2.464
  185    H    VAL  29           HN       VAL  29   5.782   6.000   1.320
  186    HA   VAL  29           HA       VAL  29   7.541   6.387   3.618
  187    HB   VAL  29           HB       VAL  29   5.958   8.231   4.248
  188   HG11  VAL  29          HG11      VAL  29   8.075   8.685   3.159
  189   HG12  VAL  29          HG12      VAL  29   6.835   9.772   2.533
  190   HG13  VAL  29          HG13      VAL  29   7.353   8.383   1.578
  191   HG21  VAL  29          HG21      VAL  29   4.896   7.761   1.464
  192   HG22  VAL  29          HG22      VAL  29   4.468   9.098   2.531
  193   HG23  VAL  29          HG23      VAL  29   4.020   7.448   2.959
  194    H    PHE  30           HN       PHE  30   4.265   5.240   2.855
  195    HA   PHE  30           HA       PHE  30   4.101   4.319   5.658
  196    HB2  PHE  30           HB2      PHE  30   1.725   5.195   4.003
  197    HB3  PHE  30           HB1      PHE  30   1.731   4.749   5.704
  198    HD1  PHE  30           HD2      PHE  30   3.764   6.239   6.959
  199    HD2  PHE  30           HD1      PHE  30   1.270   7.434   3.717
  200    HE1  PHE  30           HE2      PHE  30   4.091   8.598   7.575
  201    HE2  PHE  30           HE1      PHE  30   1.606   9.793   4.328
  202    HZ   PHE  30           HZ       PHE  30   2.943  10.382   6.264
  203    H    HIS  31           HN       HIS  31   5.181   2.720   3.729
  204    HA   HIS  31           HA       HIS  31   3.571   1.245   2.067
  205    HB2  HIS  31           HB2      HIS  31   6.094   1.200   2.253
  206    HB3  HIS  31           HB1      HIS  31   5.891   0.068   3.583
  207    HD1  HIS  31           HD1      HIS  31   4.472   0.207   0.015
  208    HD2  HIS  31           HD2      HIS  31   6.301  -2.407   2.684
  209    HE1  HIS  31           HE1      HIS  31   4.693  -2.011  -1.191
  210    H    GLU  32           HN       GLU  32   4.161   0.638   5.521
  211    HA   GLU  32           HA       GLU  32   3.030  -1.969   5.494
  212    HB2  GLU  32           HB2      GLU  32   3.296  -0.088   7.848
  213    HB3  GLU  32           HB1      GLU  32   2.962  -1.809   7.941
  214    HG2  GLU  32           HG2      GLU  32   5.211  -1.694   8.427
  215    HG3  GLU  32           HG1      GLU  32   5.211  -2.078   6.706
  216    H    ASP  33           HN       ASP  33   1.781   1.208   6.390
  217    HA   ASP  33           HA       ASP  33  -0.802   0.300   7.144
  218    HB2  ASP  33           HB2      ASP  33   0.223   3.028   6.359
  219    HB3  ASP  33           HB1      ASP  33  -1.422   2.739   6.915
  220    H    CYS  34           HN       CYS  34   0.705   1.073   4.155
  221    HA   CYS  34           HA       CYS  34  -1.649   1.528   2.618
  222    HB2  CYS  34           HB2      CYS  34   1.186   0.813   1.862
  223    HB3  CYS  34           HB1      CYS  34  -0.072   1.151   0.674
  224    H    HIS  35           HN       HIS  35  -0.467  -1.257   4.037
  225    HA   HIS  35           HA       HIS  35  -1.934  -2.947   2.110
  226    HB2  HIS  35           HB2      HIS  35   0.277  -3.693   4.034
  227    HB3  HIS  35           HB1      HIS  35  -0.659  -4.857   3.103
  228    HD1  HIS  35           HD1      HIS  35  -0.077  -5.092   0.578
  229    HD2  HIS  35           HD2      HIS  35   2.104  -2.184   2.588
  230    HE1  HIS  35           HE1      HIS  35   1.855  -4.472  -0.936
  231    H    ILE  36           HN       ILE  36  -2.674  -1.311   4.663
  232    HA   ILE  36           HA       ILE  36  -4.020  -3.533   6.045
  233    HB   ILE  36           HB       ILE  36  -2.882  -1.052   7.337
  234   HG12  ILE  36          HG12      ILE  36  -2.027  -3.948   7.547
  235   HG13  ILE  36          HG11      ILE  36  -1.159  -2.687   6.681
  236   HG21  ILE  36          HG21      ILE  36  -4.936  -1.776   8.420
  237   HG22  ILE  36          HG22      ILE  36  -3.545  -2.103   9.453
  238   HG23  ILE  36          HG23      ILE  36  -4.305  -3.416   8.555
  239   HD11  ILE  36          HD11      ILE  36  -0.775  -1.508   8.781
  240   HD12  ILE  36          HD12      ILE  36  -0.139  -3.151   8.835
  241   HD13  ILE  36          HD13      ILE  36  -1.655  -2.765   9.648
  242    HA   PRO  37           HA       PRO  37  -5.570  -4.304   6.426
  243    HB2  PRO  37           HB2      PRO  37  -8.124  -5.016   6.036
  244    HB3  PRO  37           HB1      PRO  37  -7.606  -4.228   7.535
  245    HG2  PRO  37           HG2      PRO  37  -9.042  -3.083   5.183
  246    HG3  PRO  37           HG1      PRO  37  -9.264  -2.742   6.907
  247    HD2  PRO  37           HD2      PRO  37  -7.817  -1.168   5.132
  248    HD3  PRO  37           HD1      PRO  37  -7.655  -1.130   6.899
  249    HA   PRO  38           HA       PRO  38  -5.295  -5.542   2.157
  250    HB2  PRO  38           HB2      PRO  38  -5.591  -8.338   2.887
  251    HB3  PRO  38           HB1      PRO  38  -4.144  -7.480   2.359
  252    HG2  PRO  38           HG2      PRO  38  -4.468  -8.412   4.893
  253    HG3  PRO  38           HG1      PRO  38  -3.494  -6.981   4.502
  254    HD2  PRO  38           HD2      PRO  38  -6.295  -7.136   5.574
  255    HD3  PRO  38           HD1      PRO  38  -4.969  -6.043   6.034
  256    H    VAL  39           HN       VAL  39  -7.767  -4.652   2.427
  257    HA   VAL  39           HA       VAL  39  -9.538  -6.832   1.552
  258    HB   VAL  39           HB       VAL  39 -11.430  -5.388   2.208
  259   HG11  VAL  39          HG11      VAL  39  -9.404  -5.906   4.379
  260   HG12  VAL  39          HG12      VAL  39 -10.618  -7.037   3.780
  261   HG13  VAL  39          HG13      VAL  39 -11.117  -5.585   4.647
  262   HG21  VAL  39          HG21      VAL  39 -10.991  -3.407   3.626
  263   HG22  VAL  39          HG22      VAL  39 -10.431  -3.205   1.966
  264   HG23  VAL  39          HG23      VAL  39  -9.274  -3.555   3.248
  265    H    GLU  40           HN       GLU  40 -10.532  -6.711  -0.394
  266    HA   GLU  40           HA       GLU  40  -9.559  -4.674  -2.220
  267    HB2  GLU  40           HB2      GLU  40 -10.646  -6.061  -3.965
  268    HB3  GLU  40           HB1      GLU  40  -9.504  -6.972  -2.986
  269    HG2  GLU  40           HG2      GLU  40 -11.308  -7.957  -1.727
  270    HG3  GLU  40           HG1      GLU  40 -12.487  -6.969  -2.588
  271    H    ALA  41           HN       ALA  41 -12.223  -5.124  -0.248
  272    HA   ALA  41           HA       ALA  41 -14.360  -4.109  -1.724
  273    HB1  ALA  41           HB1      ALA  41 -13.788  -3.701   1.212
  274    HB2  ALA  41           HB2      ALA  41 -14.614  -5.090   0.506
  275    HB3  ALA  41           HB3      ALA  41 -15.349  -3.490   0.421
  276    H    GLU  42           HN       GLU  42 -14.445  -2.291  -2.821
  277    HA   GLU  42           HA       GLU  42 -14.335  -0.105  -3.413
  278    HB2  GLU  42           HB2      GLU  42 -13.728   0.378  -0.492
  279    HB3  GLU  42           HB1      GLU  42 -14.197   1.606  -1.659
  280    HG2  GLU  42           HG2      GLU  42 -16.374   0.612  -1.903
  281    HG3  GLU  42           HG1      GLU  42 -15.908  -0.741  -0.870
  282    H    ARG  43           HN       ARG  43 -11.846  -1.903  -3.008
  283    HA   ARG  43           HA       ARG  43  -9.876   0.254  -3.354
  284    HB2  ARG  43           HB2      ARG  43  -9.452  -2.263  -1.734
  285    HB3  ARG  43           HB1      ARG  43  -8.226  -1.056  -2.083
  286    HG2  ARG  43           HG2      ARG  43  -9.490   0.603  -0.815
  287    HG3  ARG  43           HG1      ARG  43 -10.725  -0.609  -0.464
  288    HD2  ARG  43           HD2      ARG  43  -8.989  -1.987   0.642
  289    HD3  ARG  43           HD1      ARG  43  -7.828  -0.687   0.370
  290    HE   ARG  43           HE       ARG  43 -10.232   0.050   1.817
  291   HH11  ARG  43          HH11      ARG  43  -6.908  -1.012   2.016
  292   HH12  ARG  43          HH12      ARG  43  -6.673  -0.411   3.624
  293   HH21  ARG  43          HH21      ARG  43  -9.938   0.834   3.943
  294   HH22  ARG  43          HH22      ARG  43  -8.396   0.663   4.717
  295    H    THR  44           HN       THR  44 -11.215  -1.189  -5.375
  296    HA   THR  44           HA       THR  44  -8.966  -2.708  -6.491
  297    HB   THR  44           HB       THR  44 -10.604  -4.344  -5.751
  298    HG1  THR  44           HG1      THR  44 -10.066  -5.358  -7.511
  299   HG21  THR  44          HG21      THR  44 -12.563  -2.850  -7.496
  300   HG22  THR  44          HG22      THR  44 -12.607  -2.973  -5.737
  301   HG23  THR  44          HG23      THR  44 -12.866  -4.407  -6.730
  302    HA   PRO  45           HA       PRO  45  -8.339  -3.563  -8.256
  303    HB2  PRO  45           HB2      PRO  45  -6.603  -2.944 -10.204
  304    HB3  PRO  45           HB1      PRO  45  -8.182  -3.659 -10.575
  305    HG2  PRO  45           HG2      PRO  45  -7.315  -0.794 -10.723
  306    HG3  PRO  45           HG1      PRO  45  -8.290  -1.730 -11.879
  307    HD2  PRO  45           HD2      PRO  45  -9.359  -0.010 -10.020
  308    HD3  PRO  45           HD1      PRO  45 -10.224  -1.407 -10.691
  309    H    TRP  46           HN       TRP  46  -7.983  -0.203  -7.981
  310    HA   TRP  46           HA       TRP  46  -5.719  -0.487  -6.202
  311    HB2  TRP  46           HB2      TRP  46  -4.612  -0.174  -8.384
  312    HB3  TRP  46           HB1      TRP  46  -5.584   1.261  -8.681
  313    HD1  TRP  46           HD1      TRP  46  -2.750   0.043  -6.359
  314    HE1  TRP  46           HE1      TRP  46  -1.402   2.098  -5.589
  315    HE3  TRP  46           HE3      TRP  46  -5.650   3.730  -8.407
  316    HZ2  TRP  46           HZ2      TRP  46  -1.555   4.906  -5.822
  317    HZ3  TRP  46           HZ3      TRP  46  -4.971   6.073  -8.088
  318    HH2  TRP  46           HH2      TRP  46  -2.968   6.647  -6.823
  319    H    ASN  47           HN       ASN  47  -5.775   1.054  -4.603
  320    HA   ASN  47           HA       ASN  47  -7.255   3.499  -4.920
  321    HB2  ASN  47           HB2      ASN  47  -9.073   1.879  -4.467
  322    HB3  ASN  47           HB1      ASN  47  -8.264   1.406  -2.978
  323   HD21  ASN  47          HD21      ASN  47 -10.126   3.842  -4.579
  324   HD22  ASN  47          HD22      ASN  47 -10.501   4.772  -3.167
  325    H    CYS  48           HN       CYS  48  -5.701   4.772  -4.102
  326    HA   CYS  48           HA       CYS  48  -4.102   3.967  -1.852
  327    HB2  CYS  48           HB2      CYS  48  -3.114   5.363  -3.597
  328    HB3  CYS  48           HB1      CYS  48  -4.305   6.621  -3.291
  329    H    ILE  49           HN       ILE  49  -5.143   3.810   0.009
  330    HA   ILE  49           HA       ILE  49  -7.439   5.197   0.757
  331    HB   ILE  49           HB       ILE  49  -6.863   4.502   3.112
  332   HG12  ILE  49          HG12      ILE  49  -4.485   3.234   1.722
  333   HG13  ILE  49          HG11      ILE  49  -4.420   4.526   2.914
  334   HG21  ILE  49          HG21      ILE  49  -7.174   2.096   2.635
  335   HG22  ILE  49          HG22      ILE  49  -6.859   2.420   0.931
  336   HG23  ILE  49          HG23      ILE  49  -8.265   3.132   1.719
  337   HD11  ILE  49          HD11      ILE  49  -5.372   1.712   3.390
  338   HD12  ILE  49          HD12      ILE  49  -5.338   3.002   4.594
  339   HD13  ILE  49          HD13      ILE  49  -3.831   2.400   3.903
  340    H    PHE  50           HN       PHE  50  -4.066   6.079   1.161
  341    HA   PHE  50           HA       PHE  50  -4.585   8.150   3.044
  342    HB2  PHE  50           HB2      PHE  50  -2.214   7.483   1.315
  343    HB3  PHE  50           HB1      PHE  50  -2.251   8.956   2.285
  344    HD1  PHE  50           HD1      PHE  50  -2.183   8.853   4.713
  345    HD2  PHE  50           HD2      PHE  50  -2.078   5.306   2.354
  346    HE1  PHE  50           HE1      PHE  50  -1.416   7.575   6.667
  347    HE2  PHE  50           HE2      PHE  50  -1.321   4.026   4.308
  348    HZ   PHE  50           HZ       PHE  50  -1.074   5.179   6.511
  349    H    CYS  51           HN       CYS  51  -4.294   8.091  -0.484
  350    HA   CYS  51           HA       CYS  51  -4.605  10.936  -0.690
  351    HB2  CYS  51           HB2      CYS  51  -4.578   8.707  -2.706
  352    HB3  CYS  51           HB1      CYS  51  -5.019  10.349  -3.170
  353    H    ARG  52           HN       ARG  52  -6.768   8.194  -0.650
  354    HA   ARG  52           HA       ARG  52  -9.017   9.680  -1.644
  355    HB2  ARG  52           HB2      ARG  52  -8.867   7.001  -0.253
  356    HB3  ARG  52           HB1      ARG  52 -10.331   7.683  -0.944
  357    HG2  ARG  52           HG2      ARG  52  -7.830   7.012  -2.479
  358    HG3  ARG  52           HG1      ARG  52  -9.293   6.025  -2.414
  359    HD2  ARG  52           HD2      ARG  52 -10.572   7.813  -3.441
  360    HD3  ARG  52           HD1      ARG  52  -9.153   8.857  -3.446
  361    HE   ARG  52           HE       ARG  52  -8.746   6.389  -4.849
  362   HH11  ARG  52          HH11      ARG  52  -9.980   9.651  -5.106
  363   HH12  ARG  52          HH12      ARG  52  -9.766   9.736  -6.826
  364   HH21  ARG  52          HH21      ARG  52  -8.480   6.492  -7.122
  365   HH22  ARG  52          HH22      ARG  52  -8.905   7.944  -7.971
  366    H    MET  53           HN       MET  53  -7.654   8.942   1.475
  367    HA   MET  53           HA       MET  53  -9.887  10.358   2.776
  368    HB2  MET  53           HB2      MET  53  -7.801   8.590   4.078
  369    HB3  MET  53           HB1      MET  53  -9.233   9.262   4.843
  370    HG2  MET  53           HG2      MET  53 -10.667   7.874   3.524
  371    HG3  MET  53           HG1      MET  53  -9.305   7.304   2.561
  372    HE1  MET  53           HE1      MET  53  -9.733   4.764   2.902
  373    HE2  MET  53           HE2      MET  53 -11.242   5.225   3.689
  374    HE3  MET  53           HE3      MET  53 -10.172   4.048   4.453
  375    H    LYS  54           HN       LYS  54  -7.752  11.671   1.351
  376    HA   LYS  54           HA       LYS  54  -5.790  12.592   3.220
  377    HB2  LYS  54           HB2      LYS  54  -5.377  12.520   0.773
  378    HB3  LYS  54           HB1      LYS  54  -6.572  13.791   0.555
  379    HG2  LYS  54           HG2      LYS  54  -5.182  15.272   1.985
  380    HG3  LYS  54           HG1      LYS  54  -3.958  14.002   2.035
  381    HD2  LYS  54           HD2      LYS  54  -3.368  15.618   0.343
  382    HD3  LYS  54           HD1      LYS  54  -3.809  14.093  -0.429
  383    HE2  LYS  54           HE2      LYS  54  -6.020  14.976  -0.947
  384    HE3  LYS  54           HE1      LYS  54  -5.630  16.484  -0.122
  385    HZ1  LYS  54           HZ1      LYS  54  -3.862  16.848  -1.750
  386    HZ2  LYS  54           HZ2      LYS  54  -5.378  16.728  -2.492
  387    HZ3  LYS  54           HZ3      LYS  54  -4.302  15.427  -2.557
  388    H    GLU  55           HN       GLU  55  -8.678  14.027   1.752
  389    HA   GLU  55           HA       GLU  55  -9.363  15.441   4.106
  390    HB2  GLU  55           HB2      GLU  55  -7.492  16.885   3.324
  391    HB3  GLU  55           HB1      GLU  55  -8.355  17.138   1.813
  392    HG2  GLU  55           HG2      GLU  55 -10.246  18.076   3.188
  393    HG3  GLU  55           HG1      GLU  55  -9.145  18.040   4.563
  394    H    SER  56           HN       SER  56 -11.513  15.683   4.053
  395    HA   SER  56           HA       SER  56 -12.881  16.547   1.701
  396    HB2  SER  56           HB2      SER  56 -12.535  14.004   1.408
  397    HB3  SER  56           HB1      SER  56 -13.711  13.827   2.708
  398    HG   SER  56           HG       SER  56 -14.569  15.578   0.816
  Start of MODEL   14
    1    H1   GLY   1           HT1      GLY   1  19.442  -4.877  -0.163
    2    H2   GLY   1           HT2      GLY   1  19.701  -5.732   1.269
    3    H3   GLY   1           HT3      GLY   1  19.705  -6.548  -0.212
    4    HA2  GLY   1           HA1      GLY   1  21.952  -6.258   0.589
    5    HA3  GLY   1           HA2      GLY   1  21.687  -5.360  -0.899
    6    H    ALA   2           HN       ALA   2  23.651  -4.229  -0.021
    7    HA   ALA   2           HA       ALA   2  22.903  -2.213   1.997
    8    HB1  ALA   2           HB1      ALA   2  25.665  -3.097   1.164
    9    HB2  ALA   2           HB2      ALA   2  24.809  -3.639   2.607
   10    HB3  ALA   2           HB3      ALA   2  25.275  -1.946   2.440
   11    H    MET   3           HN       MET   3  22.717  -2.419  -1.134
   12    HA   MET   3           HA       MET   3  24.184  -0.055  -1.939
   13    HB2  MET   3           HB2      MET   3  23.884  -1.876  -3.540
   14    HB3  MET   3           HB1      MET   3  22.138  -1.733  -3.408
   15    HG2  MET   3           HG2      MET   3  22.931  -0.720  -5.455
   16    HG3  MET   3           HG1      MET   3  22.240   0.499  -4.386
   17    HE1  MET   3           HE1      MET   3  23.359   2.369  -5.891
   18    HE2  MET   3           HE2      MET   3  24.102   1.150  -6.927
   19    HE3  MET   3           HE3      MET   3  25.085   2.445  -6.244
   20    H    GLY   4           HN       GLY   4  20.980  -0.923  -0.917
   21    HA2  GLY   4           HA2      GLY   4  20.319   1.854  -0.524
   22    HA3  GLY   4           HA1      GLY   4  19.356   1.068  -1.770
   23    H    MET   5           HN       MET   5  18.497   2.151   0.795
   24    HA   MET   5           HA       MET   5  17.925  -0.090   2.500
   25    HB2  MET   5           HB2      MET   5  18.210   2.248   3.345
   26    HB3  MET   5           HB1      MET   5  16.706   2.675   2.543
   27    HG2  MET   5           HG2      MET   5  15.513   1.044   3.931
   28    HG3  MET   5           HG1      MET   5  17.023   0.655   4.753
   29    HE1  MET   5           HE1      MET   5  15.035   2.618   7.493
   30    HE2  MET   5           HE2      MET   5  15.927   1.144   7.121
   31    HE3  MET   5           HE3      MET   5  14.401   1.479   6.304
   32    H    ARG   6           HN       ARG   6  16.930  -1.446   0.902
   33    HA   ARG   6           HA       ARG   6  14.134  -0.700   0.350
   34    HB2  ARG   6           HB2      ARG   6  15.964  -2.360  -1.387
   35    HB3  ARG   6           HB1      ARG   6  14.271  -2.034  -1.714
   36    HG2  ARG   6           HG2      ARG   6  14.798   0.370  -1.890
   37    HG3  ARG   6           HG1      ARG   6  16.506  -0.018  -1.652
   38    HD2  ARG   6           HD2      ARG   6  16.422  -1.464  -3.644
   39    HD3  ARG   6           HD1      ARG   6  14.743  -0.995  -3.894
   40    HE   ARG   6           HE       ARG   6  16.435   1.285  -3.769
   41   HH11  ARG   6          HH11      ARG   6  15.499  -1.361  -5.846
   42   HH12  ARG   6          HH12      ARG   6  15.822  -0.504  -7.318
   43   HH21  ARG   6          HH21      ARG   6  16.880   2.431  -5.703
   44   HH22  ARG   6          HH22      ARG   6  16.609   1.660  -7.236
   45    H    ASN   7           HN       ASN   7  15.834  -2.507   2.322
   46    HA   ASN   7           HA       ASN   7  14.576  -5.073   1.895
   47    HB2  ASN   7           HB2      ASN   7  16.879  -4.880   2.853
   48    HB3  ASN   7           HB1      ASN   7  16.178  -4.152   4.292
   49   HD21  ASN   7          HD21      ASN   7  14.789  -6.809   2.433
   50   HD22  ASN   7          HD22      ASN   7  14.943  -7.994   3.684
   51    H    LEU   8           HN       LEU   8  12.456  -4.043   1.896
   52    HA   LEU   8           HA       LEU   8  11.378  -3.689   4.610
   53    HB2  LEU   8           HB2      LEU   8  10.209  -2.834   1.958
   54    HB3  LEU   8           HB1      LEU   8   9.503  -2.526   3.533
   55    HG   LEU   8           HG       LEU   8  12.153  -1.418   2.600
   56   HD11  LEU   8          HD11      LEU   8  10.321  -0.484   1.308
   57   HD12  LEU   8          HD12      LEU   8  10.977   0.716   2.420
   58   HD13  LEU   8          HD13      LEU   8   9.456  -0.091   2.795
   59   HD21  LEU   8          HD21      LEU   8  10.480  -0.828   5.038
   60   HD22  LEU   8          HD22      LEU   8  11.942   0.037   4.564
   61   HD23  LEU   8          HD23      LEU   8  12.031  -1.667   5.012
   62    H    ASP   9           HN       ASP   9  11.980  -6.230   3.586
   63    HA   ASP   9           HA       ASP   9   9.579  -7.331   2.405
   64    HB2  ASP   9           HB2      ASP   9  12.191  -8.651   3.154
   65    HB3  ASP   9           HB1      ASP   9  10.869  -9.434   2.295
   66    H    GLU  10           HN       GLU  10  10.012  -6.355   5.296
   67    HA   GLU  10           HA       GLU  10   9.322  -8.580   6.926
   68    HB2  GLU  10           HB2      GLU  10  10.209  -6.391   7.761
   69    HB3  GLU  10           HB1      GLU  10   8.678  -5.651   7.326
   70    HG2  GLU  10           HG2      GLU  10   8.754  -6.105   9.688
   71    HG3  GLU  10           HG1      GLU  10   7.529  -7.105   8.912
   72    H    CYS  11           HN       CYS  11   7.684  -6.383   4.842
   73    HA   CYS  11           HA       CYS  11   5.009  -6.997   5.500
   74    HB2  CYS  11           HB2      CYS  11   5.749  -4.995   4.256
   75    HB3  CYS  11           HB1      CYS  11   6.216  -6.017   2.911
   76    H    GLU  12           HN       GLU  12   4.585  -9.153   5.570
   77    HA   GLU  12           HA       GLU  12   5.575 -11.075   3.761
   78    HB2  GLU  12           HB2      GLU  12   3.281 -11.107   5.698
   79    HB3  GLU  12           HB1      GLU  12   3.715 -12.508   4.729
   80    HG2  GLU  12           HG2      GLU  12   5.606 -11.103   6.597
   81    HG3  GLU  12           HG1      GLU  12   4.638 -12.508   7.041
   82    H    VAL  13           HN       VAL  13   2.706  -9.086   3.754
   83    HA   VAL  13           HA       VAL  13   1.245 -10.614   1.893
   84    HB   VAL  13           HB       VAL  13   0.077  -9.059   3.291
   85   HG11  VAL  13          HG11      VAL  13   0.285  -6.656   3.078
   86   HG12  VAL  13          HG12      VAL  13   1.564  -6.862   1.883
   87   HG13  VAL  13          HG13      VAL  13   1.821  -7.384   3.549
   88   HG21  VAL  13          HG21      VAL  13  -0.051  -8.153   0.425
   89   HG22  VAL  13          HG22      VAL  13  -1.283  -7.861   1.654
   90   HG23  VAL  13          HG23      VAL  13  -0.934  -9.510   1.128
   91    H    CYS  14           HN       CYS  14   3.548  -7.940   1.443
   92    HA   CYS  14           HA       CYS  14   3.146  -7.733  -1.355
   93    HB2  CYS  14           HB2      CYS  14   5.278  -6.846   0.523
   94    HB3  CYS  14           HB1      CYS  14   5.646  -6.874  -1.197
   95    H    ARG  15           HN       ARG  15   5.083  -9.812   0.638
   96    HA   ARG  15           HA       ARG  15   6.684 -10.883  -1.447
   97    HB2  ARG  15           HB2      ARG  15   5.946 -12.052   1.234
   98    HB3  ARG  15           HB1      ARG  15   7.188 -12.691   0.164
   99    HG2  ARG  15           HG2      ARG  15   8.420 -10.573   0.363
  100    HG3  ARG  15           HG1      ARG  15   7.189  -9.984   1.482
  101    HD2  ARG  15           HD2      ARG  15   9.062 -10.804   2.748
  102    HD3  ARG  15           HD1      ARG  15   7.700 -11.901   2.968
  103    HE   ARG  15           HE       ARG  15   9.752 -12.526   0.965
  104   HH11  ARG  15          HH11      ARG  15   8.140 -13.283   3.992
  105   HH12  ARG  15          HH12      ARG  15   8.805 -14.890   4.072
  106   HH21  ARG  15          HH21      ARG  15  10.622 -14.632   1.087
  107   HH22  ARG  15          HH22      ARG  15  10.217 -15.651   2.432
  108    H    ASP  16           HN       ASP  16   3.596 -11.751  -0.028
  109    HA   ASP  16           HA       ASP  16   3.215 -14.089  -1.617
  110    HB2  ASP  16           HB2      ASP  16   1.996 -13.788   0.474
  111    HB3  ASP  16           HB1      ASP  16   1.213 -12.345  -0.161
  112    H    GLY  17           HN       GLY  17   3.071 -10.782  -2.307
  113    HA2  GLY  17           HA2      GLY  17   2.795  -9.884  -4.463
  114    HA3  GLY  17           HA1      GLY  17   1.941 -11.346  -4.939
  115    H    GLY  18           HN       GLY  18   1.019  -9.968  -1.963
  116    HA2  GLY  18           HA2      GLY  18  -1.657  -9.606  -2.681
  117    HA3  GLY  18           HA1      GLY  18  -0.897  -8.949  -1.245
  118    H    GLU  19           HN       GLU  19  -2.929  -7.662  -2.650
  119    HA   GLU  19           HA       GLU  19  -1.833  -5.746  -4.464
  120    HB2  GLU  19           HB2      GLU  19  -4.534  -5.812  -3.107
  121    HB3  GLU  19           HB1      GLU  19  -4.083  -4.751  -4.438
  122    HG2  GLU  19           HG2      GLU  19  -3.560  -6.891  -5.729
  123    HG3  GLU  19           HG1      GLU  19  -4.453  -7.724  -4.460
  124    H    LEU  20           HN       LEU  20  -1.630  -3.544  -4.177
  125    HA   LEU  20           HA       LEU  20  -1.257  -2.694  -1.381
  126    HB2  LEU  20           HB2      LEU  20   0.783  -3.173  -2.899
  127    HB3  LEU  20           HB1      LEU  20   0.340  -1.694  -3.726
  128    HG   LEU  20           HG       LEU  20   0.845  -1.719  -0.761
  129   HD11  LEU  20          HD11      LEU  20   2.901  -1.293  -2.932
  130   HD12  LEU  20          HD12      LEU  20   2.800  -2.715  -1.896
  131   HD13  LEU  20          HD13      LEU  20   3.159  -1.137  -1.194
  132   HD21  LEU  20          HD21      LEU  20   1.390   0.627  -1.153
  133   HD22  LEU  20          HD22      LEU  20  -0.236   0.258  -1.729
  134   HD23  LEU  20          HD23      LEU  20   1.092   0.422  -2.877
  135    H    PHE  21           HN       PHE  21  -2.492  -0.977  -0.832
  136    HA   PHE  21           HA       PHE  21  -4.013   0.313  -2.984
  137    HB2  PHE  21           HB2      PHE  21  -4.545   0.299   0.003
  138    HB3  PHE  21           HB1      PHE  21  -5.622   0.931  -1.241
  139    HD1  PHE  21           HD2      PHE  21  -6.548  -0.695  -2.967
  140    HD2  PHE  21           HD1      PHE  21  -4.623  -1.959   0.620
  141    HE1  PHE  21           HE2      PHE  21  -7.576  -2.918  -3.197
  142    HE2  PHE  21           HE1      PHE  21  -5.647  -4.181   0.387
  143    HZ   PHE  21           HZ       PHE  21  -7.122  -4.661  -1.520
  144    H    CYS  22           HN       CYS  22  -1.596   1.350  -3.037
  145    HA   CYS  22           HA       CYS  22  -2.028   4.080  -2.153
  146    HB2  CYS  22           HB2      CYS  22   0.147   2.328  -1.070
  147    HB3  CYS  22           HB1      CYS  22   0.465   4.041  -1.311
  148    H    CYS  23           HN       CYS  23  -0.832   5.594  -3.322
  149    HA   CYS  23           HA       CYS  23   0.158   4.922  -5.872
  150    HB2  CYS  23           HB2      CYS  23   0.982   7.395  -4.354
  151    HB3  CYS  23           HB1      CYS  23   0.708   7.217  -6.088
  152    H    ASP  24           HN       ASP  24   2.493   5.351  -6.566
  153    HA   ASP  24           HA       ASP  24   4.151   3.558  -5.237
  154    HB2  ASP  24           HB2      ASP  24   4.862   5.768  -7.167
  155    HB3  ASP  24           HB1      ASP  24   6.018   4.570  -6.594
  156    H    THR  25           HN       THR  25   4.242   7.110  -5.107
  157    HA   THR  25           HA       THR  25   6.395   7.250  -3.283
  158    HB   THR  25           HB       THR  25   4.220   9.318  -3.584
  159    HG1  THR  25           HG1      THR  25   6.120   8.418  -5.383
  160   HG21  THR  25          HG21      THR  25   5.790   9.742  -1.776
  161   HG22  THR  25          HG22      THR  25   6.077  10.876  -3.095
  162   HG23  THR  25          HG23      THR  25   7.149   9.495  -2.871
  163    H    CYS  26           HN       CYS  26   2.872   7.370  -2.813
  164    HA   CYS  26           HA       CYS  26   2.843   7.722  -0.037
  165    HB2  CYS  26           HB2      CYS  26   0.860   6.206  -1.756
  166    HB3  CYS  26           HB1      CYS  26   0.557   6.788  -0.125
  167    H    SER  27           HN       SER  27   3.143   4.853  -2.004
  168    HA   SER  27           HA       SER  27   2.908   2.943   0.072
  169    HB2  SER  27           HB2      SER  27   2.571   2.366  -2.280
  170    HB3  SER  27           HB1      SER  27   4.261   2.732  -2.625
  171    HG   SER  27           HG       SER  27   3.563   0.839  -0.659
  172    H    ARG  28           HN       ARG  28   5.628   4.801  -1.158
  173    HA   ARG  28           HA       ARG  28   7.570   3.092   0.094
  174    HB2  ARG  28           HB2      ARG  28   7.804   5.789  -1.223
  175    HB3  ARG  28           HB1      ARG  28   9.177   4.907  -0.564
  176    HG2  ARG  28           HG2      ARG  28   8.599   3.024  -2.103
  177    HG3  ARG  28           HG1      ARG  28   7.392   4.078  -2.841
  178    HD2  ARG  28           HD2      ARG  28   9.375   4.191  -4.164
  179    HD3  ARG  28           HD1      ARG  28   9.208   5.716  -3.297
  180    HE   ARG  28           HE       ARG  28  10.851   3.800  -1.927
  181   HH11  ARG  28          HH11      ARG  28  10.836   6.327  -4.359
  182   HH12  ARG  28          HH12      ARG  28  12.541   6.623  -4.238
  183   HH21  ARG  28          HH21      ARG  28  13.094   4.197  -1.772
  184   HH22  ARG  28          HH22      ARG  28  13.820   5.421  -2.765
  185    H    VAL  29           HN       VAL  29   5.927   6.073   0.892
  186    HA   VAL  29           HA       VAL  29   7.676   6.584   3.124
  187    HB   VAL  29           HB       VAL  29   6.104   8.466   3.645
  188   HG11  VAL  29          HG11      VAL  29   8.113   8.817   2.335
  189   HG12  VAL  29          HG12      VAL  29   6.799   9.808   1.697
  190   HG13  VAL  29          HG13      VAL  29   7.270   8.323   0.866
  191   HG21  VAL  29          HG21      VAL  29   4.478   9.105   1.933
  192   HG22  VAL  29          HG22      VAL  29   4.075   7.543   2.647
  193   HG23  VAL  29          HG23      VAL  29   4.819   7.619   1.050
  194    H    PHE  30           HN       PHE  30   4.418   5.288   2.679
  195    HA   PHE  30           HA       PHE  30   4.485   4.510   5.521
  196    HB2  PHE  30           HB2      PHE  30   2.001   5.418   4.051
  197    HB3  PHE  30           HB1      PHE  30   2.102   4.932   5.740
  198    HD1  PHE  30           HD2      PHE  30   4.008   6.327   7.076
  199    HD2  PHE  30           HD1      PHE  30   1.847   7.671   3.660
  200    HE1  PHE  30           HE2      PHE  30   4.440   8.662   7.721
  201    HE2  PHE  30           HE1      PHE  30   2.279  10.006   4.302
  202    HZ   PHE  30           HZ       PHE  30   3.584  10.496   6.336
  203    H    HIS  31           HN       HIS  31   5.433   2.738   3.925
  204    HA   HIS  31           HA       HIS  31   3.805   1.197   2.296
  205    HB2  HIS  31           HB2      HIS  31   6.295   1.077   2.429
  206    HB3  HIS  31           HB1      HIS  31   6.135   0.210   3.948
  207    HD1  HIS  31           HD1      HIS  31   5.491  -0.234   0.239
  208    HD2  HIS  31           HD2      HIS  31   5.710  -2.470   3.736
  209    HE1  HIS  31           HE1      HIS  31   5.464  -2.669  -0.468
  210    H    GLU  32           HN       GLU  32   4.493   0.766   5.752
  211    HA   GLU  32           HA       GLU  32   3.269  -1.775   5.951
  212    HB2  GLU  32           HB2      GLU  32   4.943  -0.915   7.550
  213    HB3  GLU  32           HB1      GLU  32   3.783   0.281   8.105
  214    HG2  GLU  32           HG2      GLU  32   2.308  -1.538   8.860
  215    HG3  GLU  32           HG1      GLU  32   3.533  -2.705   8.361
  216    H    ASP  33           HN       ASP  33   2.171   1.487   6.651
  217    HA   ASP  33           HA       ASP  33  -0.386   0.706   7.632
  218    HB2  ASP  33           HB2      ASP  33   0.718   3.355   6.718
  219    HB3  ASP  33           HB1      ASP  33  -0.924   3.164   7.326
  220    H    CYS  34           HN       CYS  34   0.922   1.255   4.498
  221    HA   CYS  34           HA       CYS  34  -1.532   1.768   3.146
  222    HB2  CYS  34           HB2      CYS  34   1.247   1.071   2.285
  223    HB3  CYS  34           HB1      CYS  34  -0.068   1.015   1.114
  224    H    HIS  35           HN       HIS  35  -0.401  -1.020   4.591
  225    HA   HIS  35           HA       HIS  35  -2.078  -2.689   2.826
  226    HB2  HIS  35           HB2      HIS  35   0.084  -3.568   4.758
  227    HB3  HIS  35           HB1      HIS  35  -0.898  -4.639   3.763
  228    HD1  HIS  35           HD1      HIS  35  -0.256  -4.818   1.235
  229    HD2  HIS  35           HD2      HIS  35   2.075  -2.171   3.429
  230    HE1  HIS  35           HE1      HIS  35   1.751  -4.272  -0.205
  231    H    ILE  36           HN       ILE  36  -2.674  -0.848   5.185
  232    HA   ILE  36           HA       ILE  36  -4.321  -2.774   6.682
  233    HB   ILE  36           HB       ILE  36  -2.877  -0.403   7.888
  234   HG12  ILE  36          HG12      ILE  36  -2.389  -3.363   8.277
  235   HG13  ILE  36          HG11      ILE  36  -1.361  -2.276   7.350
  236   HG21  ILE  36          HG21      ILE  36  -3.721  -1.214  10.023
  237   HG22  ILE  36          HG22      ILE  36  -4.567  -2.525   9.201
  238   HG23  ILE  36          HG23      ILE  36  -5.049  -0.853   8.921
  239   HD11  ILE  36          HD11      ILE  36  -1.893  -2.125  10.307
  240   HD12  ILE  36          HD12      ILE  36  -0.887  -1.007   9.390
  241   HD13  ILE  36          HD13      ILE  36  -0.416  -2.699   9.533
  242    HA   PRO  37           HA       PRO  37  -6.086  -2.971   7.669
  243    HB2  PRO  37           HB2      PRO  37  -8.638  -3.464   6.989
  244    HB3  PRO  37           HB1      PRO  37  -8.228  -2.310   8.270
  245    HG2  PRO  37           HG2      PRO  37  -8.957  -1.787   5.408
  246    HG3  PRO  37           HG1      PRO  37  -9.511  -0.952   6.872
  247    HD2  PRO  37           HD2      PRO  37  -7.527   0.002   5.255
  248    HD3  PRO  37           HD1      PRO  37  -7.624   0.348   6.993
  249    HA   PRO  38           HA       PRO  38  -5.383  -5.522   4.056
  250    HB2  PRO  38           HB2      PRO  38  -5.929  -7.845   5.744
  251    HB3  PRO  38           HB1      PRO  38  -4.415  -7.354   4.982
  252    HG2  PRO  38           HG2      PRO  38  -4.797  -7.238   7.659
  253    HG3  PRO  38           HG1      PRO  38  -3.754  -6.097   6.789
  254    HD2  PRO  38           HD2      PRO  38  -6.559  -5.721   7.782
  255    HD3  PRO  38           HD1      PRO  38  -5.186  -4.590   7.819
  256    H    VAL  39           HN       VAL  39  -7.528  -4.651   3.333
  257    HA   VAL  39           HA       VAL  39  -9.872  -6.206   3.794
  258    HB   VAL  39           HB       VAL  39 -10.783  -4.873   1.818
  259   HG11  VAL  39          HG11      VAL  39 -11.221  -4.241   4.116
  260   HG12  VAL  39          HG12      VAL  39 -10.923  -2.797   3.147
  261   HG13  VAL  39          HG13      VAL  39  -9.663  -3.421   4.213
  262   HG21  VAL  39          HG21      VAL  39  -9.518  -2.902   1.142
  263   HG22  VAL  39          HG22      VAL  39  -8.629  -4.374   0.753
  264   HG23  VAL  39          HG23      VAL  39  -8.166  -3.409   2.153
  265    H    GLU  40           HN       GLU  40  -9.210  -8.318   3.314
  266    HA   GLU  40           HA       GLU  40  -8.111  -9.024   0.777
  267    HB2  GLU  40           HB2      GLU  40  -9.345 -10.765   2.923
  268    HB3  GLU  40           HB1      GLU  40  -8.389 -11.341   1.566
  269    HG2  GLU  40           HG2      GLU  40  -6.424 -10.307   2.402
  270    HG3  GLU  40           HG1      GLU  40  -7.336  -9.425   3.627
  271    H    ALA  41           HN       ALA  41 -11.337  -8.868   2.115
  272    HA   ALA  41           HA       ALA  41 -12.414 -10.163  -0.293
  273    HB1  ALA  41           HB1      ALA  41 -13.169 -11.074   1.850
  274    HB2  ALA  41           HB2      ALA  41 -14.505 -10.381   0.932
  275    HB3  ALA  41           HB3      ALA  41 -13.818  -9.496   2.292
  276    H    GLU  42           HN       GLU  42 -12.075  -7.121   1.241
  277    HA   GLU  42           HA       GLU  42 -14.029  -5.929  -0.619
  278    HB2  GLU  42           HB2      GLU  42 -13.010  -4.848   2.019
  279    HB3  GLU  42           HB1      GLU  42 -14.142  -4.027   0.953
  280    HG2  GLU  42           HG2      GLU  42 -15.784  -5.758   1.291
  281    HG3  GLU  42           HG1      GLU  42 -14.645  -6.691   2.260
  282    H    ARG  43           HN       ARG  43 -11.514  -6.611  -1.525
  283    HA   ARG  43           HA       ARG  43  -9.788  -4.286  -1.399
  284    HB2  ARG  43           HB2      ARG  43  -8.348  -5.658  -2.961
  285    HB3  ARG  43           HB1      ARG  43  -8.629  -6.347  -1.369
  286    HG2  ARG  43           HG2      ARG  43 -10.304  -7.847  -2.295
  287    HG3  ARG  43           HG1      ARG  43 -10.075  -7.130  -3.893
  288    HD2  ARG  43           HD2      ARG  43  -7.789  -7.886  -3.948
  289    HD3  ARG  43           HD1      ARG  43  -7.912  -8.488  -2.296
  290    HE   ARG  43           HE       ARG  43  -9.833  -9.891  -3.504
  291   HH11  ARG  43          HH11      ARG  43  -6.589  -9.172  -4.587
  292   HH12  ARG  43          HH12      ARG  43  -6.353 -10.720  -5.336
  293   HH21  ARG  43          HH21      ARG  43  -9.544 -11.926  -4.494
  294   HH22  ARG  43          HH22      ARG  43  -8.040 -12.292  -5.281
  295    H    THR  44           HN       THR  44 -12.135  -3.506  -2.434
  296    HA   THR  44           HA       THR  44 -11.401  -2.393  -4.917
  297    HB   THR  44           HB       THR  44 -11.906  -4.609  -5.813
  298    HG1  THR  44           HG1      THR  44 -14.184  -3.268  -6.655
  299   HG21  THR  44          HG21      THR  44 -14.656  -4.236  -4.623
  300   HG22  THR  44          HG22      THR  44 -13.443  -5.401  -4.092
  301   HG23  THR  44          HG23      THR  44 -14.167  -5.549  -5.692
  302    HA   PRO  45           HA       PRO  45 -12.413  -1.198  -6.565
  303    HB2  PRO  45           HB2      PRO  45 -12.352   1.504  -6.739
  304    HB3  PRO  45           HB1      PRO  45 -13.772   0.558  -7.211
  305    HG2  PRO  45           HG2      PRO  45 -13.240   2.027  -4.645
  306    HG3  PRO  45           HG1      PRO  45 -14.720   1.998  -5.633
  307    HD2  PRO  45           HD2      PRO  45 -14.432   0.481  -3.406
  308    HD3  PRO  45           HD1      PRO  45 -15.374  -0.064  -4.809
  309    H    TRP  46           HN       TRP  46 -10.311  -0.315  -7.125
  310    HA   TRP  46           HA       TRP  46  -8.522  -0.309  -4.859
  311    HB2  TRP  46           HB2      TRP  46  -7.987  -1.471  -7.029
  312    HB3  TRP  46           HB1      TRP  46  -7.872   0.111  -7.793
  313    HD1  TRP  46           HD1      TRP  46  -5.928  -2.297  -5.618
  314    HE1  TRP  46           HE1      TRP  46  -3.544  -1.392  -5.257
  315    HE3  TRP  46           HE3      TRP  46  -6.530   2.392  -7.577
  316    HZ2  TRP  46           HZ2      TRP  46  -2.118   0.998  -5.726
  317    HZ3  TRP  46           HZ3      TRP  46  -4.606   3.925  -7.579
  318    HH2  TRP  46           HH2      TRP  46  -2.448   3.241  -6.675
  319    H    ASN  47           HN       ASN  47  -7.874   1.463  -3.811
  320    HA   ASN  47           HA       ASN  47  -7.343   3.920  -5.215
  321    HB2  ASN  47           HB2      ASN  47  -9.869   3.855  -4.660
  322    HB3  ASN  47           HB1      ASN  47  -9.372   4.060  -2.986
  323   HD21  ASN  47          HD21      ASN  47 -10.955   5.824  -4.613
  324   HD22  ASN  47          HD22      ASN  47 -10.109   7.334  -4.692
  325    H    CYS  48           HN       CYS  48  -6.067   5.329  -4.013
  326    HA   CYS  48           HA       CYS  48  -4.506   4.128  -1.928
  327    HB2  CYS  48           HB2      CYS  48  -3.448   5.541  -3.584
  328    HB3  CYS  48           HB1      CYS  48  -4.512   6.877  -3.184
  329    H    ILE  49           HN       ILE  49  -5.147   4.050   0.104
  330    HA   ILE  49           HA       ILE  49  -7.418   5.348   1.091
  331    HB   ILE  49           HB       ILE  49  -6.645   4.590   3.357
  332   HG12  ILE  49          HG12      ILE  49  -4.321   3.467   1.768
  333   HG13  ILE  49          HG11      ILE  49  -4.226   4.722   2.998
  334   HG21  ILE  49          HG21      ILE  49  -6.885   2.188   2.837
  335   HG22  ILE  49          HG22      ILE  49  -6.697   2.562   1.125
  336   HG23  ILE  49          HG23      ILE  49  -8.079   3.194   2.017
  337   HD11  ILE  49          HD11      ILE  49  -4.983   1.843   3.413
  338   HD12  ILE  49          HD12      ILE  49  -5.026   3.085   4.663
  339   HD13  ILE  49          HD13      ILE  49  -3.491   2.636   3.920
  340    H    PHE  50           HN       PHE  50  -4.035   6.307   1.256
  341    HA   PHE  50           HA       PHE  50  -4.481   8.351   3.206
  342    HB2  PHE  50           HB2      PHE  50  -2.195   7.776   1.325
  343    HB3  PHE  50           HB1      PHE  50  -2.202   9.187   2.381
  344    HD1  PHE  50           HD1      PHE  50  -2.104   8.914   4.821
  345    HD2  PHE  50           HD2      PHE  50  -1.849   5.575   2.187
  346    HE1  PHE  50           HE1      PHE  50  -1.202   7.543   6.648
  347    HE2  PHE  50           HE2      PHE  50  -0.948   4.201   4.012
  348    HZ   PHE  50           HZ       PHE  50  -0.703   5.192   6.286
  349    H    CYS  51           HN       CYS  51  -4.271   8.316  -0.322
  350    HA   CYS  51           HA       CYS  51  -4.397  11.133  -0.581
  351    HB2  CYS  51           HB2      CYS  51  -4.682   8.856  -2.504
  352    HB3  CYS  51           HB1      CYS  51  -5.090  10.492  -3.013
  353    H    ARG  52           HN       ARG  52  -6.831   8.699  -0.160
  354    HA   ARG  52           HA       ARG  52  -9.032  10.236  -1.104
  355    HB2  ARG  52           HB2      ARG  52  -8.995   7.993   0.926
  356    HB3  ARG  52           HB1      ARG  52 -10.428   8.628   0.132
  357    HG2  ARG  52           HG2      ARG  52  -9.608   7.862  -2.017
  358    HG3  ARG  52           HG1      ARG  52  -8.124   7.280  -1.258
  359    HD2  ARG  52           HD2      ARG  52  -9.563   5.405  -1.559
  360    HD3  ARG  52           HD1      ARG  52  -9.539   5.782   0.159
  361    HE   ARG  52           HE       ARG  52 -11.701   7.075  -1.158
  362   HH11  ARG  52          HH11      ARG  52 -10.669   3.995   0.131
  363   HH12  ARG  52          HH12      ARG  52 -12.281   3.404   0.368
  364   HH21  ARG  52          HH21      ARG  52 -13.824   6.317  -0.847
  365   HH22  ARG  52          HH22      ARG  52 -14.085   4.740  -0.171
  366    H    MET  53           HN       MET  53  -7.173  10.275   1.799
  367    HA   MET  53           HA       MET  53  -9.273  11.667   3.285
  368    HB2  MET  53           HB2      MET  53  -6.576  10.635   4.177
  369    HB3  MET  53           HB1      MET  53  -7.716  11.469   5.222
  370    HG2  MET  53           HG2      MET  53  -9.351   9.681   4.846
  371    HG3  MET  53           HG1      MET  53  -8.177   8.837   3.834
  372    HE1  MET  53           HE1      MET  53  -5.360   7.976   6.421
  373    HE2  MET  53           HE2      MET  53  -5.456   9.398   5.384
  374    HE3  MET  53           HE3      MET  53  -5.898   7.812   4.749
  375    H    LYS  54           HN       LYS  54  -5.901  12.144   2.274
  376    HA   LYS  54           HA       LYS  54  -5.741  14.736   3.458
  377    HB2  LYS  54           HB2      LYS  54  -3.570  14.911   2.343
  378    HB3  LYS  54           HB1      LYS  54  -3.732  13.374   3.178
  379    HG2  LYS  54           HG2      LYS  54  -4.231  12.271   1.053
  380    HG3  LYS  54           HG1      LYS  54  -4.080  13.816   0.216
  381    HD2  LYS  54           HD2      LYS  54  -1.888  12.447   1.774
  382    HD3  LYS  54           HD1      LYS  54  -2.046  12.442   0.017
  383    HE2  LYS  54           HE2      LYS  54  -1.814  14.880  -0.008
  384    HE3  LYS  54           HE1      LYS  54  -1.671  14.889   1.749
  385    HZ1  LYS  54           HZ1      LYS  54   0.218  13.607  -0.147
  386    HZ2  LYS  54           HZ2      LYS  54   0.341  13.549   1.536
  387    HZ3  LYS  54           HZ3      LYS  54   0.488  15.023   0.731
  388    H    GLU  55           HN       GLU  55  -5.608  16.746   2.427
  389    HA   GLU  55           HA       GLU  55  -6.318  16.910  -0.386
  390    HB2  GLU  55           HB2      GLU  55  -8.484  16.857   0.831
  391    HB3  GLU  55           HB1      GLU  55  -7.974  18.265   1.752
  392    HG2  GLU  55           HG2      GLU  55  -9.497  18.827  -0.085
  393    HG3  GLU  55           HG1      GLU  55  -7.926  19.611  -0.241
  394    H    SER  56           HN       SER  56  -4.677  18.104  -1.096
  395    HA   SER  56           HA       SER  56  -4.202  20.699   0.151
  396    HB2  SER  56           HB2      SER  56  -1.964  18.758  -0.488
  397    HB3  SER  56           HB1      SER  56  -1.783  20.384   0.175
  398    HG   SER  56           HG       SER  56  -3.502  19.006   1.691
  Start of MODEL   15
    1    H1   GLY   1           HT1      GLY   1  22.899  10.700  -5.077
    2    H2   GLY   1           HT2      GLY   1  22.123  10.733  -3.579
    3    H3   GLY   1           HT3      GLY   1  21.327  11.306  -4.956
    4    HA2  GLY   1           HA1      GLY   1  20.502   9.128  -4.336
    5    HA3  GLY   1           HA2      GLY   1  21.279   9.113  -5.912
    6    H    ALA   2           HN       ALA   2  20.928   6.787  -4.571
    7    HA   ALA   2           HA       ALA   2  22.013   4.875  -4.023
    8    HB1  ALA   2           HB1      ALA   2  23.415   5.464  -5.958
    9    HB2  ALA   2           HB2      ALA   2  24.318   4.593  -4.718
   10    HB3  ALA   2           HB3      ALA   2  24.507   6.338  -4.884
   11    H    MET   3           HN       MET   3  21.792   7.168  -2.054
   12    HA   MET   3           HA       MET   3  24.041   6.607  -0.270
   13    HB2  MET   3           HB2      MET   3  23.329   8.948  -0.544
   14    HB3  MET   3           HB1      MET   3  21.720   8.529   0.027
   15    HG2  MET   3           HG2      MET   3  22.699   7.873   2.196
   16    HG3  MET   3           HG1      MET   3  24.274   8.404   1.614
   17    HE1  MET   3           HE1      MET   3  20.657   9.451   2.608
   18    HE2  MET   3           HE2      MET   3  20.738  10.090   0.965
   19    HE3  MET   3           HE3      MET   3  20.670  11.194   2.338
   20    H    GLY   4           HN       GLY   4  20.503   6.475  -0.302
   21    HA2  GLY   4           HA2      GLY   4  20.376   4.012   1.069
   22    HA3  GLY   4           HA1      GLY   4  20.108   5.326   2.208
   23    H    MET   5           HN       MET   5  18.401   3.147   0.839
   24    HA   MET   5           HA       MET   5  16.125   4.923   0.341
   25    HB2  MET   5           HB2      MET   5  15.389   3.525  -1.545
   26    HB3  MET   5           HB1      MET   5  16.957   4.248  -1.870
   27    HG2  MET   5           HG2      MET   5  18.065   2.165  -1.354
   28    HG3  MET   5           HG1      MET   5  16.526   1.430  -0.910
   29    HE1  MET   5           HE1      MET   5  18.522   0.068  -2.946
   30    HE2  MET   5           HE2      MET   5  17.406  -0.455  -4.207
   31    HE3  MET   5           HE3      MET   5  16.954  -0.611  -2.509
   32    H    ARG   6           HN       ARG   6  14.168   4.118   1.089
   33    HA   ARG   6           HA       ARG   6  14.439   1.735   2.764
   34    HB2  ARG   6           HB2      ARG   6  13.632   3.899   3.775
   35    HB3  ARG   6           HB1      ARG   6  12.178   3.737   2.796
   36    HG2  ARG   6           HG2      ARG   6  11.642   1.641   3.902
   37    HG3  ARG   6           HG1      ARG   6  13.123   1.748   4.851
   38    HD2  ARG   6           HD2      ARG   6  11.312   2.480   6.219
   39    HD3  ARG   6           HD1      ARG   6  12.283   3.889   5.797
   40    HE   ARG   6           HE       ARG   6  10.446   4.049   3.926
   41   HH11  ARG   6          HH11      ARG   6  10.045   3.235   7.303
   42   HH12  ARG   6          HH12      ARG   6   8.446   3.900   7.408
   43   HH21  ARG   6          HH21      ARG   6   8.338   4.904   4.047
   44   HH22  ARG   6          HH22      ARG   6   7.477   4.857   5.559
   45    H    ASN   7           HN       ASN   7  14.352   0.410   0.827
   46    HA   ASN   7           HA       ASN   7  11.647   0.081  -0.250
   47    HB2  ASN   7           HB2      ASN   7  13.558   0.157  -1.856
   48    HB3  ASN   7           HB1      ASN   7  14.208  -1.293  -1.098
   49   HD21  ASN   7          HD21      ASN   7  10.802  -0.635  -1.712
   50   HD22  ASN   7          HD22      ASN   7  10.580  -1.910  -2.855
   51    H    LEU   8           HN       LEU   8  10.485  -1.012   1.204
   52    HA   LEU   8           HA       LEU   8  11.672  -3.019   2.885
   53    HB2  LEU   8           HB2      LEU   8   8.794  -2.173   2.588
   54    HB3  LEU   8           HB1      LEU   8   9.433  -3.191   3.865
   55    HG   LEU   8           HG       LEU   8  10.243  -0.318   3.411
   56   HD11  LEU   8          HD11      LEU   8   7.911  -0.462   4.074
   57   HD12  LEU   8          HD12      LEU   8   8.899   0.178   5.386
   58   HD13  LEU   8          HD13      LEU   8   8.348  -1.496   5.434
   59   HD21  LEU   8          HD21      LEU   8  11.226  -0.522   5.650
   60   HD22  LEU   8          HD22      LEU   8  11.971  -1.627   4.496
   61   HD23  LEU   8          HD23      LEU   8  10.803  -2.234   5.669
   62    H    ASP   9           HN       ASP   9  12.127  -4.960   1.977
   63    HA   ASP   9           HA       ASP   9  10.124  -6.180   0.223
   64    HB2  ASP   9           HB2      ASP   9  13.000  -6.888   0.806
   65    HB3  ASP   9           HB1      ASP   9  11.928  -7.928  -0.122
   66    H    GLU  10           HN       GLU  10  10.723  -5.917   3.369
   67    HA   GLU  10           HA       GLU  10  10.301  -8.706   4.115
   68    HB2  GLU  10           HB2      GLU  10  10.820  -6.233   5.772
   69    HB3  GLU  10           HB1      GLU  10  10.621  -7.852   6.433
   70    HG2  GLU  10           HG2      GLU  10  12.599  -8.619   5.402
   71    HG3  GLU  10           HG1      GLU  10  12.723  -7.173   4.405
   72    H    CYS  11           HN       CYS  11   8.293  -7.446   2.711
   73    HA   CYS  11           HA       CYS  11   6.174  -6.921   4.674
   74    HB2  CYS  11           HB2      CYS  11   6.599  -5.190   2.932
   75    HB3  CYS  11           HB1      CYS  11   6.226  -6.380   1.700
   76    H    GLU  12           HN       GLU  12   5.423  -8.889   5.220
   77    HA   GLU  12           HA       GLU  12   5.648 -11.198   3.684
   78    HB2  GLU  12           HB2      GLU  12   3.758 -10.591   5.953
   79    HB3  GLU  12           HB1      GLU  12   4.055 -12.197   5.305
   80    HG2  GLU  12           HG2      GLU  12   6.404 -12.025   5.940
   81    HG3  GLU  12           HG1      GLU  12   6.110 -10.411   6.584
   82    H    VAL  13           HN       VAL  13   3.015  -8.883   3.922
   83    HA   VAL  13           HA       VAL  13   1.161 -10.465   2.483
   84    HB   VAL  13           HB       VAL  13   0.303  -8.726   3.873
   85   HG11  VAL  13          HG11      VAL  13   1.732  -6.745   2.125
   86   HG12  VAL  13          HG12      VAL  13   2.223  -7.215   3.752
   87   HG13  VAL  13          HG13      VAL  13   0.693  -6.381   3.499
   88   HG21  VAL  13          HG21      VAL  13  -0.133  -7.939   1.000
   89   HG22  VAL  13          HG22      VAL  13  -1.193  -7.566   2.359
   90   HG23  VAL  13          HG23      VAL  13  -0.977  -9.238   1.841
   91    H    CYS  14           HN       CYS  14   3.427  -7.904   1.466
   92    HA   CYS  14           HA       CYS  14   2.667  -7.989  -1.264
   93    HB2  CYS  14           HB2      CYS  14   5.037  -6.932   0.208
   94    HB3  CYS  14           HB1      CYS  14   5.122  -7.085  -1.541
   95    H    ARG  15           HN       ARG  15   4.943  -9.779   0.667
   96    HA   ARG  15           HA       ARG  15   6.248 -11.149  -1.440
   97    HB2  ARG  15           HB2      ARG  15   7.206 -11.053   0.785
   98    HB3  ARG  15           HB1      ARG  15   5.810 -11.878   1.459
   99    HG2  ARG  15           HG2      ARG  15   6.396 -13.884   0.190
  100    HG3  ARG  15           HG1      ARG  15   7.815 -13.055  -0.452
  101    HD2  ARG  15           HD2      ARG  15   8.734 -12.826   1.769
  102    HD3  ARG  15           HD1      ARG  15   7.276 -13.519   2.477
  103    HE   ARG  15           HE       ARG  15   8.375 -15.342   0.631
  104   HH11  ARG  15          HH11      ARG  15   9.028 -13.973   3.788
  105   HH12  ARG  15          HH12      ARG  15   9.881 -15.372   4.360
  106   HH21  ARG  15          HH21      ARG  15   9.508 -17.177   1.366
  107   HH22  ARG  15          HH22      ARG  15  10.166 -17.194   2.972
  108    H    ASP  16           HN       ASP  16   3.411 -11.841   0.506
  109    HA   ASP  16           HA       ASP  16   2.772 -14.325  -0.663
  110    HB2  ASP  16           HB2      ASP  16   1.864 -13.551   1.487
  111    HB3  ASP  16           HB1      ASP  16   0.964 -12.288   0.659
  112    H    GLY  17           HN       GLY  17   2.569 -11.177  -1.910
  113    HA2  GLY  17           HA2      GLY  17   2.062 -10.797  -4.212
  114    HA3  GLY  17           HA1      GLY  17   0.960 -12.164  -4.161
  115    H    GLY  18           HN       GLY  18   0.718 -10.164  -1.455
  116    HA2  GLY  18           HA2      GLY  18  -1.949  -9.459  -1.901
  117    HA3  GLY  18           HA1      GLY  18  -0.895  -8.733  -0.703
  118    H    GLU  19           HN       GLU  19  -2.939  -7.462  -2.263
  119    HA   GLU  19           HA       GLU  19  -1.662  -5.997  -4.381
  120    HB2  GLU  19           HB2      GLU  19  -4.384  -5.647  -3.119
  121    HB3  GLU  19           HB1      GLU  19  -3.837  -4.866  -4.598
  122    HG2  GLU  19           HG2      GLU  19  -3.511  -7.132  -5.583
  123    HG3  GLU  19           HG1      GLU  19  -4.265  -7.808  -4.142
  124    H    LEU  20           HN       LEU  20  -1.553  -3.685  -4.467
  125    HA   LEU  20           HA       LEU  20  -1.012  -2.470  -1.839
  126    HB2  LEU  20           HB2      LEU  20   0.931  -3.137  -3.439
  127    HB3  LEU  20           HB1      LEU  20   0.427  -1.751  -4.379
  128    HG   LEU  20           HG       LEU  20   1.174  -1.503  -1.472
  129   HD11  LEU  20          HD11      LEU  20   3.058  -2.517  -2.665
  130   HD12  LEU  20          HD12      LEU  20   3.410  -0.848  -2.211
  131   HD13  LEU  20          HD13      LEU  20   2.981  -1.238  -3.877
  132   HD21  LEU  20          HD21      LEU  20   1.185   0.486  -3.743
  133   HD22  LEU  20          HD22      LEU  20   1.584   0.811  -2.056
  134   HD23  LEU  20          HD23      LEU  20  -0.063   0.364  -2.499
  135    H    PHE  21           HN       PHE  21  -2.203  -0.681  -1.449
  136    HA   PHE  21           HA       PHE  21  -3.608   0.525  -3.744
  137    HB2  PHE  21           HB2      PHE  21  -4.531   0.289  -0.864
  138    HB3  PHE  21           HB1      PHE  21  -5.433   1.073  -2.160
  139    HD1  PHE  21           HD2      PHE  21  -5.988  -0.407  -4.229
  140    HD2  PHE  21           HD1      PHE  21  -4.879  -1.958  -0.414
  141    HE1  PHE  21           HE2      PHE  21  -7.043  -2.555  -4.794
  142    HE2  PHE  21           HE1      PHE  21  -5.936  -4.105  -0.981
  143    HZ   PHE  21           HZ       PHE  21  -6.959  -4.422  -3.212
  144    H    CYS  22           HN       CYS  22  -1.275   1.614  -3.499
  145    HA   CYS  22           HA       CYS  22  -1.767   4.225  -2.301
  146    HB2  CYS  22           HB2      CYS  22   0.643   2.516  -1.627
  147    HB3  CYS  22           HB1      CYS  22   0.477   4.217  -1.205
  148    H    CYS  23           HN       CYS  23  -0.613   5.894  -3.301
  149    HA   CYS  23           HA       CYS  23   0.402   5.454  -5.919
  150    HB2  CYS  23           HB2      CYS  23   0.972   7.918  -4.273
  151    HB3  CYS  23           HB1      CYS  23   0.726   7.798  -6.015
  152    H    ASP  24           HN       ASP  24   2.706   6.309  -6.514
  153    HA   ASP  24           HA       ASP  24   4.596   4.586  -5.443
  154    HB2  ASP  24           HB2      ASP  24   5.049   7.227  -6.847
  155    HB3  ASP  24           HB1      ASP  24   6.315   6.051  -6.521
  156    H    THR  25           HN       THR  25   4.229   8.044  -4.754
  157    HA   THR  25           HA       THR  25   6.280   8.170  -2.821
  158    HB   THR  25           HB       THR  25   3.859   9.959  -3.042
  159    HG1  THR  25           HG1      THR  25   4.838  10.103  -4.995
  160   HG21  THR  25          HG21      THR  25   5.128  10.241  -0.957
  161   HG22  THR  25          HG22      THR  25   5.293  11.646  -2.007
  162   HG23  THR  25          HG23      THR  25   6.604  10.473  -1.892
  163    H    CYS  26           HN       CYS  26   2.781   7.765  -2.534
  164    HA   CYS  26           HA       CYS  26   2.611   7.750   0.260
  165    HB2  CYS  26           HB2      CYS  26   0.843   6.305  -1.729
  166    HB3  CYS  26           HB1      CYS  26   0.404   6.759  -0.084
  167    H    SER  27           HN       SER  27   3.322   5.220  -2.050
  168    HA   SER  27           HA       SER  27   3.244   3.035  -0.233
  169    HB2  SER  27           HB2      SER  27   3.081   2.779  -2.693
  170    HB3  SER  27           HB1      SER  27   4.758   3.295  -2.844
  171    HG   SER  27           HG       SER  27   5.258   1.294  -2.533
  172    H    ARG  28           HN       ARG  28   5.702   5.360  -1.125
  173    HA   ARG  28           HA       ARG  28   7.878   3.880   0.005
  174    HB2  ARG  28           HB2      ARG  28   7.560   6.708  -0.951
  175    HB3  ARG  28           HB1      ARG  28   9.045   6.146  -0.201
  176    HG2  ARG  28           HG2      ARG  28   9.380   4.528  -1.938
  177    HG3  ARG  28           HG1      ARG  28   7.807   4.906  -2.647
  178    HD2  ARG  28           HD2      ARG  28   9.695   5.972  -3.839
  179    HD3  ARG  28           HD1      ARG  28   8.536   7.133  -3.189
  180    HE   ARG  28           HE       ARG  28  10.528   6.805  -1.279
  181   HH11  ARG  28          HH11      ARG  28  10.238   7.998  -4.553
  182   HH12  ARG  28          HH12      ARG  28  11.532   9.142  -4.385
  183   HH21  ARG  28          HH21      ARG  28  12.205   8.342  -1.034
  184   HH22  ARG  28          HH22      ARG  28  12.646   9.341  -2.382
  185    H    VAL  29           HN       VAL  29   5.758   6.463   1.078
  186    HA   VAL  29           HA       VAL  29   7.283   6.832   3.498
  187    HB   VAL  29           HB       VAL  29   5.566   8.543   4.074
  188   HG11  VAL  29          HG11      VAL  29   7.616   9.160   2.936
  189   HG12  VAL  29          HG12      VAL  29   6.273  10.128   2.330
  190   HG13  VAL  29          HG13      VAL  29   6.888   8.780   1.374
  191   HG21  VAL  29          HG21      VAL  29   4.499   7.932   1.321
  192   HG22  VAL  29          HG22      VAL  29   3.975   9.247   2.374
  193   HG23  VAL  29          HG23      VAL  29   3.682   7.570   2.840
  194    H    PHE  30           HN       PHE  30   4.188   5.350   2.605
  195    HA   PHE  30           HA       PHE  30   4.064   4.318   5.365
  196    HB2  PHE  30           HB2      PHE  30   1.607   5.094   3.787
  197    HB3  PHE  30           HB1      PHE  30   1.683   4.591   5.468
  198    HD1  PHE  30           HD2      PHE  30   3.622   6.229   6.733
  199    HD2  PHE  30           HD1      PHE  30   0.933   7.264   3.593
  200    HE1  PHE  30           HE2      PHE  30   3.730   8.587   7.415
  201    HE2  PHE  30           HE1      PHE  30   1.040   9.625   4.281
  202    HZ   PHE  30           HZ       PHE  30   2.441  10.285   6.189
  203    H    HIS  31           HN       HIS  31   5.248   2.752   3.563
  204    HA   HIS  31           HA       HIS  31   3.577   1.182   1.951
  205    HB2  HIS  31           HB2      HIS  31   6.058   1.222   1.748
  206    HB3  HIS  31           HB1      HIS  31   6.161   0.290   3.238
  207    HD1  HIS  31           HD1      HIS  31   4.699  -0.094  -0.282
  208    HD2  HIS  31           HD2      HIS  31   6.115  -2.379   2.895
  209    HE1  HIS  31           HE1      HIS  31   4.705  -2.503  -1.074
  210    H    GLU  32           HN       GLU  32   4.639   0.674   5.307
  211    HA   GLU  32           HA       GLU  32   3.651  -1.987   5.429
  212    HB2  GLU  32           HB2      GLU  32   5.440  -1.004   6.908
  213    HB3  GLU  32           HB1      GLU  32   4.167  -0.134   7.754
  214    HG2  GLU  32           HG2      GLU  32   3.115  -2.282   8.331
  215    HG3  GLU  32           HG1      GLU  32   4.447  -3.120   7.536
  216    H    ASP  33           HN       ASP  33   2.407   1.139   6.440
  217    HA   ASP  33           HA       ASP  33  -0.013   0.143   7.551
  218    HB2  ASP  33           HB2      ASP  33   0.880   2.886   6.698
  219    HB3  ASP  33           HB1      ASP  33  -0.758   2.589   7.272
  220    H    CYS  34           HN       CYS  34   1.043   0.815   4.353
  221    HA   CYS  34           HA       CYS  34  -1.370   1.395   3.063
  222    HB2  CYS  34           HB2      CYS  34   0.941   1.531   2.059
  223    HB3  CYS  34           HB1      CYS  34   0.899  -0.222   1.895
  224    H    HIS  35           HN       HIS  35  -0.242  -1.547   4.428
  225    HA   HIS  35           HA       HIS  35  -2.282  -3.085   2.960
  226    HB2  HIS  35           HB2      HIS  35   0.011  -4.197   4.589
  227    HB3  HIS  35           HB1      HIS  35  -1.010  -5.064   3.442
  228    HD1  HIS  35           HD1      HIS  35  -0.440  -4.729   0.877
  229    HD2  HIS  35           HD2      HIS  35   2.038  -2.677   3.507
  230    HE1  HIS  35           HE1      HIS  35   1.548  -3.941  -0.478
  231    H    ILE  36           HN       ILE  36  -2.198  -1.340   5.592
  232    HA   ILE  36           HA       ILE  36  -3.765  -3.205   7.229
  233    HB   ILE  36           HB       ILE  36  -1.515  -1.487   8.302
  234   HG12  ILE  36          HG12      ILE  36  -1.767  -4.501   8.209
  235   HG13  ILE  36          HG11      ILE  36  -0.759  -3.544   7.130
  236   HG21  ILE  36          HG21      ILE  36  -3.401  -1.594   9.839
  237   HG22  ILE  36          HG22      ILE  36  -2.027  -2.501  10.469
  238   HG23  ILE  36          HG23      ILE  36  -3.389  -3.354   9.746
  239   HD11  ILE  36          HD11      ILE  36  -0.449  -3.739  10.117
  240   HD12  ILE  36          HD12      ILE  36   0.567  -2.791   9.031
  241   HD13  ILE  36          HD13      ILE  36   0.551  -4.550   8.910
  242    HA   PRO  37           HA       PRO  37  -5.487  -3.342   8.007
  243    HB2  PRO  37           HB2      PRO  37  -8.124  -2.999   7.707
  244    HB3  PRO  37           HB1      PRO  37  -7.299  -2.500   9.195
  245    HG2  PRO  37           HG2      PRO  37  -8.180  -0.838   6.857
  246    HG3  PRO  37           HG1      PRO  37  -8.318  -0.490   8.593
  247    HD2  PRO  37           HD2      PRO  37  -6.339   0.520   6.970
  248    HD3  PRO  37           HD1      PRO  37  -6.175   0.304   8.724
  249    HA   PRO  38           HA       PRO  38  -5.845  -4.553   3.734
  250    HB2  PRO  38           HB2      PRO  38  -7.151  -6.936   4.065
  251    HB3  PRO  38           HB1      PRO  38  -5.418  -6.724   4.337
  252    HG2  PRO  38           HG2      PRO  38  -7.658  -6.790   6.317
  253    HG3  PRO  38           HG1      PRO  38  -6.039  -7.505   6.432
  254    HD2  PRO  38           HD2      PRO  38  -6.695  -5.193   7.682
  255    HD3  PRO  38           HD1      PRO  38  -5.061  -5.503   7.057
  256    H    VAL  39           HN       VAL  39  -7.282  -2.975   3.000
  257    HA   VAL  39           HA       VAL  39 -10.090  -3.142   3.469
  258    HB   VAL  39           HB       VAL  39 -10.207  -1.366   1.656
  259   HG11  VAL  39          HG11      VAL  39  -9.224   0.363   3.109
  260   HG12  VAL  39          HG12      VAL  39  -8.428  -0.899   4.047
  261   HG13  VAL  39          HG13      VAL  39 -10.189  -0.802   4.015
  262   HG21  VAL  39          HG21      VAL  39  -8.135  -1.964   0.478
  263   HG22  VAL  39          HG22      VAL  39  -7.200  -1.500   1.899
  264   HG23  VAL  39          HG23      VAL  39  -8.117  -0.284   1.010
  265    H    GLU  40           HN       GLU  40 -10.460  -5.317   2.828
  266    HA   GLU  40           HA       GLU  40 -10.000  -6.255   0.191
  267    HB2  GLU  40           HB2      GLU  40 -11.978  -7.263   2.247
  268    HB3  GLU  40           HB1      GLU  40 -11.424  -8.143   0.831
  269    HG2  GLU  40           HG2      GLU  40  -9.174  -8.221   1.727
  270    HG3  GLU  40           HG1      GLU  40  -9.678  -7.264   3.121
  271    H    ALA  41           HN       ALA  41 -12.423  -4.277   1.586
  272    HA   ALA  41           HA       ALA  41 -14.424  -4.807  -0.432
  273    HB1  ALA  41           HB1      ALA  41 -15.697  -3.035   0.639
  274    HB2  ALA  41           HB2      ALA  41 -14.294  -2.587   1.608
  275    HB3  ALA  41           HB3      ALA  41 -15.068  -4.152   1.848
  276    H    GLU  42           HN       GLU  42 -11.556  -3.185  -0.439
  277    HA   GLU  42           HA       GLU  42 -12.477  -1.267  -2.480
  278    HB2  GLU  42           HB2      GLU  42 -10.398  -0.915  -0.320
  279    HB3  GLU  42           HB1      GLU  42 -10.509   0.145  -1.713
  280    HG2  GLU  42           HG2      GLU  42 -12.778  -0.319   0.193
  281    HG3  GLU  42           HG1      GLU  42 -11.608   0.990   0.359
  282    H    ARG  43           HN       ARG  43 -11.657  -3.883  -3.113
  283    HA   ARG  43           HA       ARG  43  -8.871  -3.659  -3.964
  284    HB2  ARG  43           HB2      ARG  43 -10.799  -5.978  -4.198
  285    HB3  ARG  43           HB1      ARG  43  -9.103  -6.017  -4.659
  286    HG2  ARG  43           HG2      ARG  43  -8.454  -5.590  -2.349
  287    HG3  ARG  43           HG1      ARG  43 -10.154  -5.532  -1.881
  288    HD2  ARG  43           HD2      ARG  43  -9.271  -7.700  -1.339
  289    HD3  ARG  43           HD1      ARG  43 -10.406  -7.862  -2.677
  290    HE   ARG  43           HE       ARG  43  -7.769  -7.550  -3.672
  291   HH11  ARG  43          HH11      ARG  43  -9.864  -9.884  -2.106
  292   HH12  ARG  43          HH12      ARG  43  -9.006 -11.259  -2.717
  293   HH21  ARG  43          HH21      ARG  43  -6.647  -9.357  -4.485
  294   HH22  ARG  43          HH22      ARG  43  -7.177 -10.958  -4.085
  295    H    THR  44           HN       THR  44 -11.803  -2.774  -5.171
  296    HA   THR  44           HA       THR  44 -10.707  -2.566  -7.837
  297    HB   THR  44           HB       THR  44 -11.806  -4.737  -7.953
  298    HG1  THR  44           HG1      THR  44 -12.373  -4.154  -9.890
  299   HG21  THR  44          HG21      THR  44 -14.325  -3.281  -7.145
  300   HG22  THR  44          HG22      THR  44 -13.443  -4.442  -6.156
  301   HG23  THR  44          HG23      THR  44 -14.222  -4.969  -7.646
  302    HA   PRO  45           HA       PRO  45 -11.150  -1.707  -9.735
  303    HB2  PRO  45           HB2      PRO  45 -10.502   1.122 -10.192
  304    HB3  PRO  45           HB1      PRO  45 -11.252  -0.044 -11.294
  305    HG2  PRO  45           HG2      PRO  45 -12.654   2.003 -10.224
  306    HG3  PRO  45           HG1      PRO  45 -13.393   0.415 -10.542
  307    HD2  PRO  45           HD2      PRO  45 -12.380   1.544  -7.947
  308    HD3  PRO  45           HD1      PRO  45 -13.880   0.648  -8.276
  309    H    TRP  46           HN       TRP  46 -10.027   1.301  -8.207
  310    HA   TRP  46           HA       TRP  46  -8.038   0.041  -6.631
  311    HB2  TRP  46           HB2      TRP  46  -6.971  -0.079  -8.932
  312    HB3  TRP  46           HB1      TRP  46  -6.984   1.680  -8.958
  313    HD1  TRP  46           HD1      TRP  46  -5.405  -1.229  -6.964
  314    HE1  TRP  46           HE1      TRP  46  -3.189  -0.407  -5.943
  315    HE3  TRP  46           HE3      TRP  46  -5.662   3.690  -8.348
  316    HZ2  TRP  46           HZ2      TRP  46  -1.742   2.013  -5.763
  317    HZ3  TRP  46           HZ3      TRP  46  -3.817   5.188  -7.714
  318    HH2  TRP  46           HH2      TRP  46  -1.899   4.367  -6.450
  319    H    ASN  47           HN       ASN  47  -6.877   1.653  -5.333
  320    HA   ASN  47           HA       ASN  47  -7.602   4.412  -5.490
  321    HB2  ASN  47           HB2      ASN  47  -8.976   4.538  -3.479
  322    HB3  ASN  47           HB1      ASN  47  -9.727   3.404  -4.599
  323   HD21  ASN  47          HD21      ASN  47  -9.540   1.169  -4.183
  324   HD22  ASN  47          HD22      ASN  47  -9.218   0.578  -2.591
  325    H    CYS  48           HN       CYS  48  -6.593   5.647  -3.780
  326    HA   CYS  48           HA       CYS  48  -4.525   4.156  -2.313
  327    HB2  CYS  48           HB2      CYS  48  -3.607   5.842  -3.809
  328    HB3  CYS  48           HB1      CYS  48  -4.663   7.065  -3.122
  329    H    ILE  49           HN       ILE  49  -5.111   3.760  -0.299
  330    HA   ILE  49           HA       ILE  49  -7.358   4.922   0.907
  331    HB   ILE  49           HB       ILE  49  -6.576   3.833   3.026
  332   HG12  ILE  49          HG12      ILE  49  -4.292   2.897   1.268
  333   HG13  ILE  49          HG11      ILE  49  -4.159   3.957   2.665
  334   HG21  ILE  49          HG21      ILE  49  -6.706   2.147   0.529
  335   HG22  ILE  49          HG22      ILE  49  -8.057   2.664   1.537
  336   HG23  ILE  49          HG23      ILE  49  -6.867   1.528   2.171
  337   HD11  ILE  49          HD11      ILE  49  -5.014   1.075   2.681
  338   HD12  ILE  49          HD12      ILE  49  -4.963   2.129   4.095
  339   HD13  ILE  49          HD13      ILE  49  -3.475   1.723   3.241
  340    H    PHE  50           HN       PHE  50  -3.953   5.771   1.116
  341    HA   PHE  50           HA       PHE  50  -4.340   7.537   3.338
  342    HB2  PHE  50           HB2      PHE  50  -2.012   7.375   1.414
  343    HB3  PHE  50           HB1      PHE  50  -2.031   8.286   2.923
  344    HD1  PHE  50           HD1      PHE  50  -2.651   6.892   5.052
  345    HD2  PHE  50           HD2      PHE  50  -1.167   5.226   1.426
  346    HE1  PHE  50           HE1      PHE  50  -1.857   4.926   6.281
  347    HE2  PHE  50           HE2      PHE  50  -0.376   3.253   2.656
  348    HZ   PHE  50           HZ       PHE  50  -0.852   3.032   5.046
  349    H    CYS  51           HN       CYS  51  -4.282   7.955  -0.165
  350    HA   CYS  51           HA       CYS  51  -4.398  10.803  -0.033
  351    HB2  CYS  51           HB2      CYS  51  -4.819   8.802  -2.225
  352    HB3  CYS  51           HB1      CYS  51  -5.332  10.465  -2.468
  353    H    ARG  52           HN       ARG  52  -6.734   8.254   0.202
  354    HA   ARG  52           HA       ARG  52  -9.013   9.974  -0.106
  355    HB2  ARG  52           HB2      ARG  52  -9.190   7.602  -0.639
  356    HB3  ARG  52           HB1      ARG  52  -8.770   7.176   1.013
  357    HG2  ARG  52           HG2      ARG  52 -10.822   8.013   1.845
  358    HG3  ARG  52           HG1      ARG  52 -11.206   8.792   0.309
  359    HD2  ARG  52           HD2      ARG  52 -12.484   6.735   0.605
  360    HD3  ARG  52           HD1      ARG  52 -11.381   6.618  -0.762
  361    HE   ARG  52           HE       ARG  52 -10.470   5.540   1.792
  362   HH11  ARG  52          HH11      ARG  52 -11.776   4.966  -1.396
  363   HH12  ARG  52          HH12      ARG  52 -11.361   3.278  -1.414
  364   HH21  ARG  52          HH21      ARG  52  -9.895   3.337   1.784
  365   HH22  ARG  52          HH22      ARG  52 -10.251   2.360   0.397
  366    H    MET  53           HN       MET  53  -6.804   9.292   2.391
  367    HA   MET  53           HA       MET  53  -8.533   9.916   4.593
  368    HB2  MET  53           HB2      MET  53  -5.515   9.815   4.378
  369    HB3  MET  53           HB1      MET  53  -6.377  10.144   5.874
  370    HG2  MET  53           HG2      MET  53  -7.426   7.965   5.783
  371    HG3  MET  53           HG1      MET  53  -6.645   7.632   4.239
  372    HE1  MET  53           HE1      MET  53  -5.719   5.340   5.202
  373    HE2  MET  53           HE2      MET  53  -6.501   5.669   6.747
  374    HE3  MET  53           HE3      MET  53  -4.798   5.208   6.701
  375    H    LYS  54           HN       LYS  54  -9.520  11.858   4.124
  376    HA   LYS  54           HA       LYS  54  -8.031  14.186   3.371
  377    HB2  LYS  54           HB2      LYS  54 -10.423  13.775   2.756
  378    HB3  LYS  54           HB1      LYS  54 -10.852  14.017   4.444
  379    HG2  LYS  54           HG2      LYS  54  -9.982  16.305   4.330
  380    HG3  LYS  54           HG1      LYS  54  -9.591  16.063   2.626
  381    HD2  LYS  54           HD2      LYS  54 -12.344  15.915   3.858
  382    HD3  LYS  54           HD1      LYS  54 -11.714  17.249   2.891
  383    HE2  LYS  54           HE2      LYS  54 -11.514  15.786   0.959
  384    HE3  LYS  54           HE1      LYS  54 -12.052  14.411   1.922
  385    HZ1  LYS  54           HZ1      LYS  54 -14.188  15.417   2.185
  386    HZ2  LYS  54           HZ2      LYS  54 -13.812  15.379   0.537
  387    HZ3  LYS  54           HZ3      LYS  54 -13.683  16.829   1.400
  388    H    GLU  55           HN       GLU  55  -6.527  14.692   4.882
  389    HA   GLU  55           HA       GLU  55  -7.514  15.322   7.582
  390    HB2  GLU  55           HB2      GLU  55  -5.989  13.334   7.494
  391    HB3  GLU  55           HB1      GLU  55  -4.737  14.370   6.832
  392    HG2  GLU  55           HG2      GLU  55  -4.686  15.666   8.881
  393    HG3  GLU  55           HG1      GLU  55  -5.997  14.694   9.547
  394    H    SER  56           HN       SER  56  -7.937  17.290   6.086
  395    HA   SER  56           HA       SER  56  -5.709  18.979   5.486
  396    HB2  SER  56           HB2      SER  56  -8.642  19.712   5.680
  397    HB3  SER  56           HB1      SER  56  -7.381  20.633   4.864
  398    HG   SER  56           HG       SER  56  -7.106  18.624   3.569
  Start of MODEL   16
    1    H1   GLY   1           HT1      GLY   1  18.672  -0.865 -15.201
    2    H2   GLY   1           HT2      GLY   1  17.309  -0.246 -14.424
    3    H3   GLY   1           HT3      GLY   1  17.292  -1.826 -15.027
    4    HA2  GLY   1           HA1      GLY   1  17.558  -1.850 -12.641
    5    HA3  GLY   1           HA2      GLY   1  18.987  -2.481 -13.444
    6    H    ALA   2           HN       ALA   2  19.717  -1.898 -11.153
    7    HA   ALA   2           HA       ALA   2  21.108  -0.702  -9.827
    8    HB1  ALA   2           HB1      ALA   2  22.626   0.889 -10.855
    9    HB2  ALA   2           HB2      ALA   2  21.616   0.952 -12.298
   10    HB3  ALA   2           HB3      ALA   2  22.453  -0.540 -11.875
   11    H    MET   3           HN       MET   3  18.254   0.121 -10.173
   12    HA   MET   3           HA       MET   3  18.535   2.866  -9.125
   13    HB2  MET   3           HB2      MET   3  16.366   3.427 -10.076
   14    HB3  MET   3           HB1      MET   3  17.454   2.875 -11.343
   15    HG2  MET   3           HG2      MET   3  16.382   0.701 -11.352
   16    HG3  MET   3           HG1      MET   3  15.335   1.193 -10.024
   17    HE1  MET   3           HE1      MET   3  14.565   4.177 -10.796
   18    HE2  MET   3           HE2      MET   3  13.411   2.971 -10.228
   19    HE3  MET   3           HE3      MET   3  13.072   3.897 -11.688
   20    H    GLY   4           HN       GLY   4  17.916  -0.211  -8.312
   21    HA2  GLY   4           HA2      GLY   4  17.183  -0.842  -6.128
   22    HA3  GLY   4           HA1      GLY   4  16.149   0.582  -6.103
   23    H    MET   5           HN       MET   5  15.470  -2.225  -5.608
   24    HA   MET   5           HA       MET   5  13.570  -2.634  -7.822
   25    HB2  MET   5           HB2      MET   5  13.571  -5.030  -7.203
   26    HB3  MET   5           HB1      MET   5  15.158  -4.461  -7.705
   27    HG2  MET   5           HG2      MET   5  15.880  -4.338  -5.404
   28    HG3  MET   5           HG1      MET   5  14.274  -4.801  -4.850
   29    HE1  MET   5           HE1      MET   5  16.556  -7.910  -4.035
   30    HE2  MET   5           HE2      MET   5  15.470  -6.695  -3.361
   31    HE3  MET   5           HE3      MET   5  17.039  -6.216  -4.007
   32    H    ARG   6           HN       ARG   6  11.470  -3.465  -7.257
   33    HA   ARG   6           HA       ARG   6  10.596  -2.509  -4.636
   34    HB2  ARG   6           HB2      ARG   6   9.043  -3.263  -7.111
   35    HB3  ARG   6           HB1      ARG   6   8.290  -2.808  -5.590
   36    HG2  ARG   6           HG2      ARG   6  10.161  -1.042  -7.153
   37    HG3  ARG   6           HG1      ARG   6   8.404  -0.974  -7.257
   38    HD2  ARG   6           HD2      ARG   6   9.079   0.741  -5.758
   39    HD3  ARG   6           HD1      ARG   6   8.373  -0.542  -4.782
   40    HE   ARG   6           HE       ARG   6  11.235  -0.718  -5.033
   41   HH11  ARG   6          HH11      ARG   6   8.607   0.737  -3.231
   42   HH12  ARG   6          HH12      ARG   6   9.557   0.983  -1.800
   43   HH21  ARG   6          HH21      ARG   6  12.483  -0.396  -3.136
   44   HH22  ARG   6          HH22      ARG   6  11.753   0.355  -1.751
   45    H    ASN   7           HN       ASN   7  12.050  -4.684  -4.354
   46    HA   ASN   7           HA       ASN   7  10.165  -6.908  -3.971
   47    HB2  ASN   7           HB2      ASN   7  12.199  -7.500  -5.212
   48    HB3  ASN   7           HB1      ASN   7  13.195  -6.880  -3.902
   49   HD21  ASN   7          HD21      ASN   7  10.249  -8.807  -3.575
   50   HD22  ASN   7          HD22      ASN   7  11.021 -10.171  -2.846
   51    H    LEU   8           HN       LEU   8   9.265  -6.912  -2.030
   52    HA   LEU   8           HA       LEU   8  10.743  -5.719   0.205
   53    HB2  LEU   8           HB2      LEU   8   7.797  -6.170  -0.221
   54    HB3  LEU   8           HB1      LEU   8   8.472  -5.659   1.311
   55    HG   LEU   8           HG       LEU   8   7.657  -3.699   0.320
   56   HD11  LEU   8          HD11      LEU   8   9.593  -2.321  -0.088
   57   HD12  LEU   8          HD12      LEU   8  10.585  -3.752  -0.365
   58   HD13  LEU   8          HD13      LEU   8   9.909  -3.443   1.235
   59   HD21  LEU   8          HD21      LEU   8   8.101  -2.995  -1.961
   60   HD22  LEU   8          HD22      LEU   8   7.301  -4.567  -1.931
   61   HD23  LEU   8          HD23      LEU   8   9.033  -4.463  -2.247
   62    H    ASP   9           HN       ASP   9  11.534  -7.007   1.720
   63    HA   ASP   9           HA       ASP   9  10.798  -9.837   1.664
   64    HB2  ASP   9           HB2      ASP   9  13.094  -8.398   2.994
   65    HB3  ASP   9           HB1      ASP   9  12.809 -10.128   3.109
   66    H    GLU  10           HN       GLU  10  10.683  -7.037   3.715
   67    HA   GLU  10           HA       GLU  10  10.119  -8.533   6.106
   68    HB2  GLU  10           HB2      GLU  10   9.879  -5.564   5.595
   69    HB3  GLU  10           HB1      GLU  10   9.885  -6.351   7.168
   70    HG2  GLU  10           HG2      GLU  10  12.160  -7.084   6.832
   71    HG3  GLU  10           HG1      GLU  10  12.166  -6.405   5.207
   72    H    CYS  11           HN       CYS  11   8.305  -6.474   3.874
   73    HA   CYS  11           HA       CYS  11   5.773  -6.897   5.085
   74    HB2  CYS  11           HB2      CYS  11   6.198  -4.993   3.650
   75    HB3  CYS  11           HB1      CYS  11   6.571  -6.045   2.302
   76    H    GLU  12           HN       GLU  12   5.227  -8.976   5.375
   77    HA   GLU  12           HA       GLU  12   5.795 -11.077   3.577
   78    HB2  GLU  12           HB2      GLU  12   3.759 -10.900   5.790
   79    HB3  GLU  12           HB1      GLU  12   4.200 -12.382   4.956
   80    HG2  GLU  12           HG2      GLU  12   6.484 -12.175   5.755
   81    HG3  GLU  12           HG1      GLU  12   6.076 -10.658   6.555
   82    H    VAL  13           HN       VAL  13   3.296  -8.730   3.728
   83    HA   VAL  13           HA       VAL  13   1.296 -10.107   2.286
   84    HB   VAL  13           HB       VAL  13   1.779  -7.132   2.446
   85   HG11  VAL  13          HG11      VAL  13  -0.644  -6.976   1.987
   86   HG12  VAL  13          HG12      VAL  13  -0.676  -8.718   1.719
   87   HG13  VAL  13          HG13      VAL  13   0.267  -7.677   0.652
   88   HG21  VAL  13          HG21      VAL  13   0.121  -8.940   4.192
   89   HG22  VAL  13          HG22      VAL  13   0.130  -7.179   4.270
   90   HG23  VAL  13          HG23      VAL  13   1.591  -8.085   4.658
   91    H    CYS  14           HN       CYS  14   3.810  -7.799   1.279
   92    HA   CYS  14           HA       CYS  14   3.211  -7.906  -1.475
   93    HB2  CYS  14           HB2      CYS  14   5.583  -7.051   0.121
   94    HB3  CYS  14           HB1      CYS  14   5.764  -7.251  -1.616
   95    H    ARG  15           HN       ARG  15   5.044  -9.970   0.615
   96    HA   ARG  15           HA       ARG  15   6.370 -11.432  -1.448
   97    HB2  ARG  15           HB2      ARG  15   5.768 -12.202   1.409
   98    HB3  ARG  15           HB1      ARG  15   6.850 -13.078   0.332
   99    HG2  ARG  15           HG2      ARG  15   8.324 -11.165   0.205
  100    HG3  ARG  15           HG1      ARG  15   7.214 -10.218   1.193
  101    HD2  ARG  15           HD2      ARG  15   8.990 -10.974   2.594
  102    HD3  ARG  15           HD1      ARG  15   7.541 -11.882   3.017
  103    HE   ARG  15           HE       ARG  15   8.784 -13.478   1.203
  104   HH11  ARG  15          HH11      ARG  15   9.862 -11.912   4.147
  105   HH12  ARG  15          HH12      ARG  15  10.965 -13.190   4.567
  106   HH21  ARG  15          HH21      ARG  15  10.252 -15.139   1.749
  107   HH22  ARG  15          HH22      ARG  15  11.194 -15.011   3.201
  108    H    ASP  16           HN       ASP  16   3.387 -11.853   0.366
  109    HA   ASP  16           HA       ASP  16   2.631 -14.283  -0.910
  110    HB2  ASP  16           HB2      ASP  16   1.699 -13.679   1.246
  111    HB3  ASP  16           HB1      ASP  16   1.004 -12.209   0.579
  112    H    GLY  17           HN       GLY  17   2.658 -11.059  -1.947
  113    HA2  GLY  17           HA2      GLY  17   2.245 -10.422  -4.187
  114    HA3  GLY  17           HA1      GLY  17   1.184 -11.815  -4.359
  115    H    GLY  18           HN       GLY  18   0.768 -10.006  -1.508
  116    HA2  GLY  18           HA2      GLY  18  -1.893  -9.292  -2.081
  117    HA3  GLY  18           HA1      GLY  18  -0.930  -8.675  -0.749
  118    H    GLU  19           HN       GLU  19  -2.868  -7.377  -2.583
  119    HA   GLU  19           HA       GLU  19  -1.393  -5.639  -4.291
  120    HB2  GLU  19           HB2      GLU  19  -4.223  -5.633  -3.290
  121    HB3  GLU  19           HB1      GLU  19  -3.596  -4.328  -4.291
  122    HG2  GLU  19           HG2      GLU  19  -3.678  -7.240  -5.047
  123    HG3  GLU  19           HG1      GLU  19  -4.794  -5.996  -5.608
  124    H    LEU  20           HN       LEU  20  -1.036  -3.442  -4.089
  125    HA   LEU  20           HA       LEU  20  -0.819  -2.491  -1.312
  126    HB2  LEU  20           HB2      LEU  20   1.249  -2.870  -2.828
  127    HB3  LEU  20           HB1      LEU  20   0.729  -1.422  -3.662
  128    HG   LEU  20           HG       LEU  20   1.314  -1.476  -0.702
  129   HD11  LEU  20          HD11      LEU  20   3.315  -2.145  -1.953
  130   HD12  LEU  20          HD12      LEU  20   3.498  -0.541  -1.244
  131   HD13  LEU  20          HD13      LEU  20   3.159  -0.712  -2.965
  132   HD21  LEU  20          HD21      LEU  20   1.148   0.780  -2.702
  133   HD22  LEU  20          HD22      LEU  20   1.551   0.938  -0.995
  134   HD23  LEU  20          HD23      LEU  20  -0.058   0.395  -1.473
  135    H    PHE  21           HN       PHE  21  -2.124  -0.833  -0.776
  136    HA   PHE  21           HA       PHE  21  -3.620   0.417  -2.966
  137    HB2  PHE  21           HB2      PHE  21  -4.289   0.133  -0.025
  138    HB3  PHE  21           HB1      PHE  21  -5.294   0.989  -1.196
  139    HD1  PHE  21           HD2      PHE  21  -6.086  -0.343  -3.255
  140    HD2  PHE  21           HD1      PHE  21  -4.567  -2.168   0.286
  141    HE1  PHE  21           HE2      PHE  21  -7.154  -2.463  -3.888
  142    HE2  PHE  21           HE1      PHE  21  -5.629  -4.291  -0.355
  143    HZ   PHE  21           HZ       PHE  21  -6.923  -4.438  -2.444
  144    H    CYS  22           HN       CYS  22  -1.400   1.608  -3.064
  145    HA   CYS  22           HA       CYS  22  -1.896   4.287  -2.091
  146    HB2  CYS  22           HB2      CYS  22   0.354   2.594  -1.074
  147    HB3  CYS  22           HB1      CYS  22   0.617   4.319  -1.296
  148    H    CYS  23           HN       CYS  23  -0.686   5.872  -3.229
  149    HA   CYS  23           HA       CYS  23   0.191   5.216  -5.848
  150    HB2  CYS  23           HB2      CYS  23   0.957   7.746  -4.392
  151    HB3  CYS  23           HB1      CYS  23   0.641   7.529  -6.114
  152    H    ASP  24           HN       ASP  24   2.450   5.818  -6.652
  153    HA   ASP  24           HA       ASP  24   4.396   4.247  -5.463
  154    HB2  ASP  24           HB2      ASP  24   4.753   4.840  -7.713
  155    HB3  ASP  24           HB1      ASP  24   4.581   6.557  -7.381
  156    H    THR  25           HN       THR  25   3.962   7.765  -5.118
  157    HA   THR  25           HA       THR  25   6.149   8.150  -3.375
  158    HB   THR  25           HB       THR  25   3.616   9.788  -3.457
  159    HG1  THR  25           HG1      THR  25   5.744   9.538  -5.266
  160   HG21  THR  25          HG21      THR  25   5.115  11.638  -2.847
  161   HG22  THR  25          HG22      THR  25   6.469  10.512  -2.776
  162   HG23  THR  25          HG23      THR  25   5.134  10.362  -1.632
  163    H    CYS  26           HN       CYS  26   2.690   7.684  -2.746
  164    HA   CYS  26           HA       CYS  26   2.806   7.942   0.044
  165    HB2  CYS  26           HB2      CYS  26   0.768   6.407  -1.580
  166    HB3  CYS  26           HB1      CYS  26   0.535   7.092   0.027
  167    H    SER  27           HN       SER  27   3.175   5.123  -2.042
  168    HA   SER  27           HA       SER  27   2.915   3.177   0.012
  169    HB2  SER  27           HB2      SER  27   3.930   1.639  -1.686
  170    HB3  SER  27           HB1      SER  27   2.538   2.544  -2.278
  171    HG   SER  27           HG       SER  27   3.807   3.180  -3.808
  172    H    ARG  28           HN       ARG  28   5.618   5.010  -1.223
  173    HA   ARG  28           HA       ARG  28   7.694   3.405  -0.183
  174    HB2  ARG  28           HB2      ARG  28   7.601   6.337  -0.870
  175    HB3  ARG  28           HB1      ARG  28   9.074   5.487  -0.431
  176    HG2  ARG  28           HG2      ARG  28   8.892   4.078  -2.372
  177    HG3  ARG  28           HG1      ARG  28   7.325   4.784  -2.780
  178    HD2  ARG  28           HD2      ARG  28   8.455   6.996  -2.965
  179    HD3  ARG  28           HD1      ARG  28   9.998   6.177  -2.740
  180    HE   ARG  28           HE       ARG  28   8.327   5.227  -4.926
  181   HH11  ARG  28          HH11      ARG  28  10.997   7.251  -3.917
  182   HH12  ARG  28          HH12      ARG  28  11.691   7.348  -5.501
  183   HH21  ARG  28          HH21      ARG  28   9.224   5.355  -7.007
  184   HH22  ARG  28          HH22      ARG  28  10.679   6.266  -7.268
  185    H    VAL  29           HN       VAL  29   5.754   5.959   1.195
  186    HA   VAL  29           HA       VAL  29   7.553   6.196   3.466
  187    HB   VAL  29           HB       VAL  29   6.002   8.067   4.173
  188   HG11  VAL  29          HG11      VAL  29   6.945   9.624   2.516
  189   HG12  VAL  29          HG12      VAL  29   7.425   8.247   1.523
  190   HG13  VAL  29          HG13      VAL  29   8.143   8.479   3.116
  191   HG21  VAL  29          HG21      VAL  29   4.956   7.691   1.369
  192   HG22  VAL  29          HG22      VAL  29   4.570   9.027   2.451
  193   HG23  VAL  29          HG23      VAL  29   4.052   7.390   2.852
  194    H    PHE  30           HN       PHE  30   4.241   5.141   2.792
  195    HA   PHE  30           HA       PHE  30   4.131   4.220   5.598
  196    HB2  PHE  30           HB2      PHE  30   1.690   4.941   3.976
  197    HB3  PHE  30           HB1      PHE  30   1.796   4.656   5.708
  198    HD1  PHE  30           HD2      PHE  30   3.782   6.312   6.751
  199    HD2  PHE  30           HD1      PHE  30   1.189   7.135   3.470
  200    HE1  PHE  30           HE2      PHE  30   4.059   8.725   7.137
  201    HE2  PHE  30           HE1      PHE  30   1.472   9.548   3.852
  202    HZ   PHE  30           HZ       PHE  30   2.821  10.356   5.676
  203    H    HIS  31           HN       HIS  31   5.253   2.578   3.788
  204    HA   HIS  31           HA       HIS  31   3.716   1.087   2.064
  205    HB2  HIS  31           HB2      HIS  31   6.195   1.021   2.261
  206    HB3  HIS  31           HB1      HIS  31   6.022   0.058   3.720
  207    HD1  HIS  31           HD1      HIS  31   5.238  -0.200  -0.008
  208    HD2  HIS  31           HD2      HIS  31   5.940  -2.602   3.308
  209    HE1  HIS  31           HE1      HIS  31   5.430  -2.574  -0.875
  210    H    GLU  32           HN       GLU  32   4.308   0.410   5.511
  211    HA   GLU  32           HA       GLU  32   3.051  -2.137   5.446
  212    HB2  GLU  32           HB2      GLU  32   3.562  -0.336   7.816
  213    HB3  GLU  32           HB1      GLU  32   3.190  -2.052   7.885
  214    HG2  GLU  32           HG2      GLU  32   5.270  -2.512   6.636
  215    HG3  GLU  32           HG1      GLU  32   5.652  -0.793   6.703
  216    H    ASP  33           HN       ASP  33   1.989   1.068   6.408
  217    HA   ASP  33           HA       ASP  33  -0.617   0.265   7.235
  218    HB2  ASP  33           HB2      ASP  33   0.549   2.949   6.515
  219    HB3  ASP  33           HB1      ASP  33  -1.131   2.752   7.003
  220    H    CYS  34           HN       CYS  34   0.833   0.993   4.206
  221    HA   CYS  34           HA       CYS  34  -1.572   1.531   2.768
  222    HB2  CYS  34           HB2      CYS  34   1.252   0.907   1.954
  223    HB3  CYS  34           HB1      CYS  34  -0.033   1.098   0.760
  224    H    HIS  35           HN       HIS  35  -0.385  -1.291   4.082
  225    HA   HIS  35           HA       HIS  35  -1.905  -2.927   2.157
  226    HB2  HIS  35           HB2      HIS  35   0.157  -3.773   4.208
  227    HB3  HIS  35           HB1      HIS  35  -0.771  -4.883   3.208
  228    HD1  HIS  35           HD1      HIS  35  -0.100  -5.022   0.658
  229    HD2  HIS  35           HD2      HIS  35   2.206  -2.429   2.943
  230    HE1  HIS  35           HE1      HIS  35   1.946  -4.471  -0.729
  231    H    ILE  36           HN       ILE  36  -2.793  -1.163   4.447
  232    HA   ILE  36           HA       ILE  36  -4.475  -3.172   5.793
  233    HB   ILE  36           HB       ILE  36  -3.297  -0.695   7.080
  234   HG12  ILE  36          HG12      ILE  36  -2.713  -3.627   7.556
  235   HG13  ILE  36          HG11      ILE  36  -1.629  -2.468   6.796
  236   HG21  ILE  36          HG21      ILE  36  -5.546  -1.213   7.896
  237   HG22  ILE  36          HG22      ILE  36  -4.327  -1.487   9.140
  238   HG23  ILE  36          HG23      ILE  36  -5.027  -2.855   8.279
  239   HD11  ILE  36          HD11      ILE  36  -1.489  -1.226   8.888
  240   HD12  ILE  36          HD12      ILE  36  -0.999  -2.904   9.100
  241   HD13  ILE  36          HD13      ILE  36  -2.588  -2.375   9.647
  242    HA   PRO  37           HA       PRO  37  -6.420  -3.291   6.870
  243    HB2  PRO  37           HB2      PRO  37  -8.838  -3.676   5.245
  244    HB3  PRO  37           HB1      PRO  37  -8.685  -3.529   7.001
  245    HG2  PRO  37           HG2      PRO  37  -9.789  -1.587   5.503
  246    HG3  PRO  37           HG1      PRO  37  -8.821  -1.220   6.943
  247    HD2  PRO  37           HD2      PRO  37  -8.026  -1.121   4.052
  248    HD3  PRO  37           HD1      PRO  37  -7.686   0.042   5.353
  249    HA   PRO  38           HA       PRO  38  -4.995  -6.135   3.768
  250    HB2  PRO  38           HB2      PRO  38  -5.335  -8.386   5.490
  251    HB3  PRO  38           HB1      PRO  38  -3.855  -7.477   5.181
  252    HG2  PRO  38           HG2      PRO  38  -5.215  -7.545   7.599
  253    HG3  PRO  38           HG1      PRO  38  -4.042  -6.310   7.117
  254    HD2  PRO  38           HD2      PRO  38  -7.028  -6.202   7.093
  255    HD3  PRO  38           HD1      PRO  38  -5.850  -4.921   7.448
  256    H    VAL  39           HN       VAL  39  -7.838  -5.510   3.754
  257    HA   VAL  39           HA       VAL  39  -9.275  -7.997   3.520
  258    HB   VAL  39           HB       VAL  39 -10.094  -5.192   2.725
  259   HG11  VAL  39          HG11      VAL  39 -11.346  -6.924   1.508
  260   HG12  VAL  39          HG12      VAL  39 -12.367  -6.043   2.644
  261   HG13  VAL  39          HG13      VAL  39 -11.796  -7.662   3.045
  262   HG21  VAL  39          HG21      VAL  39  -9.658  -5.479   5.134
  263   HG22  VAL  39          HG22      VAL  39 -10.824  -6.802   5.169
  264   HG23  VAL  39          HG23      VAL  39 -11.358  -5.165   4.790
  265    H    GLU  40           HN       GLU  40  -7.879  -5.583   1.343
  266    HA   GLU  40           HA       GLU  40  -7.434  -5.600  -0.888
  267    HB2  GLU  40           HB2      GLU  40  -5.951  -7.435  -0.112
  268    HB3  GLU  40           HB1      GLU  40  -7.238  -8.587  -0.420
  269    HG2  GLU  40           HG2      GLU  40  -7.158  -8.029  -2.802
  270    HG3  GLU  40           HG1      GLU  40  -5.842  -6.899  -2.484
  271    H    ALA  41           HN       ALA  41  -9.830  -5.024  -0.836
  272    HA   ALA  41           HA       ALA  41 -11.851  -6.895  -1.307
  273    HB1  ALA  41           HB1      ALA  41 -11.838  -3.974  -2.051
  274    HB2  ALA  41           HB2      ALA  41 -12.249  -4.628  -0.465
  275    HB3  ALA  41           HB3      ALA  41 -13.258  -5.002  -1.861
  276    H    GLU  42           HN       GLU  42 -11.845  -8.248  -2.949
  277    HA   GLU  42           HA       GLU  42 -12.160  -9.043  -5.045
  278    HB2  GLU  42           HB2      GLU  42 -12.365  -6.157  -5.915
  279    HB3  GLU  42           HB1      GLU  42 -12.905  -7.562  -6.821
  280    HG2  GLU  42           HG2      GLU  42 -14.028  -6.606  -4.197
  281    HG3  GLU  42           HG1      GLU  42 -14.772  -6.407  -5.782
  282    H    ARG  43           HN       ARG  43  -9.535  -7.479  -4.047
  283    HA   ARG  43           HA       ARG  43  -7.369  -7.316  -4.685
  284    HB2  ARG  43           HB2      ARG  43  -8.166  -9.283  -6.837
  285    HB3  ARG  43           HB1      ARG  43  -6.516  -8.873  -6.392
  286    HG2  ARG  43           HG2      ARG  43  -6.950  -9.748  -4.121
  287    HG3  ARG  43           HG1      ARG  43  -8.557 -10.243  -4.654
  288    HD2  ARG  43           HD2      ARG  43  -5.929 -11.195  -5.783
  289    HD3  ARG  43           HD1      ARG  43  -6.999 -12.114  -4.725
  290    HE   ARG  43           HE       ARG  43  -8.542 -11.415  -6.888
  291   HH11  ARG  43          HH11      ARG  43  -5.577 -13.204  -6.384
  292   HH12  ARG  43          HH12      ARG  43  -5.809 -14.226  -7.764
  293   HH21  ARG  43          HH21      ARG  43  -8.852 -12.758  -8.711
  294   HH22  ARG  43          HH22      ARG  43  -7.673 -13.972  -9.094
  295    H    THR  44           HN       THR  44  -9.736  -5.944  -6.326
  296    HA   THR  44           HA       THR  44  -7.986  -4.431  -8.069
  297    HB   THR  44           HB       THR  44  -9.728  -4.770  -9.979
  298    HG1  THR  44           HG1      THR  44 -10.168  -7.068  -8.351
  299   HG21  THR  44          HG21      THR  44  -7.407  -5.491 -10.181
  300   HG22  THR  44          HG22      THR  44  -8.486  -6.702 -10.872
  301   HG23  THR  44          HG23      THR  44  -7.769  -6.964  -9.283
  302    HA   PRO  45           HA       PRO  45  -8.330  -3.100  -9.674
  303    HB2  PRO  45           HB2      PRO  45  -8.570  -0.302 -10.033
  304    HB3  PRO  45           HB1      PRO  45  -9.242  -1.566 -11.068
  305    HG2  PRO  45           HG2      PRO  45 -10.720   0.234  -9.517
  306    HG3  PRO  45           HG1      PRO  45 -11.333  -1.270 -10.239
  307    HD2  PRO  45           HD2      PRO  45 -10.430  -0.738  -7.432
  308    HD3  PRO  45           HD1      PRO  45 -11.740  -1.786  -8.019
  309    H    TRP  46           HN       TRP  46  -8.462   0.025  -8.047
  310    HA   TRP  46           HA       TRP  46  -6.259  -0.444  -6.314
  311    HB2  TRP  46           HB2      TRP  46  -4.972  -0.293  -8.400
  312    HB3  TRP  46           HB1      TRP  46  -5.779   1.213  -8.811
  313    HD1  TRP  46           HD1      TRP  46  -3.123  -0.185  -6.413
  314    HE1  TRP  46           HE1      TRP  46  -1.713   1.777  -5.531
  315    HE3  TRP  46           HE3      TRP  46  -5.803   3.700  -8.390
  316    HZ2  TRP  46           HZ2      TRP  46  -1.739   4.600  -5.651
  317    HZ3  TRP  46           HZ3      TRP  46  -5.039   5.998  -7.959
  318    HH2  TRP  46           HH2      TRP  46  -3.052   6.438  -6.619
  319    H    ASN  47           HN       ASN  47  -6.117   1.183  -4.791
  320    HA   ASN  47           HA       ASN  47  -7.179   3.801  -5.279
  321    HB2  ASN  47           HB2      ASN  47  -8.904   3.798  -3.583
  322    HB3  ASN  47           HB1      ASN  47  -9.237   2.458  -4.673
  323   HD21  ASN  47          HD21      ASN  47  -8.413   3.399  -1.472
  324   HD22  ASN  47          HD22      ASN  47  -8.487   1.826  -0.756
  325    H    CYS  48           HN       CYS  48  -6.247   5.278  -3.881
  326    HA   CYS  48           HA       CYS  48  -4.291   4.156  -2.013
  327    HB2  CYS  48           HB2      CYS  48  -3.419   5.725  -3.669
  328    HB3  CYS  48           HB1      CYS  48  -4.566   6.946  -3.145
  329    H    ILE  49           HN       ILE  49  -5.000   3.917  -0.035
  330    HA   ILE  49           HA       ILE  49  -7.318   5.103   1.001
  331    HB   ILE  49           HB       ILE  49  -6.471   4.307   3.243
  332   HG12  ILE  49          HG12      ILE  49  -4.210   3.196   1.561
  333   HG13  ILE  49          HG11      ILE  49  -4.060   4.493   2.740
  334   HG21  ILE  49          HG21      ILE  49  -6.699   1.909   2.660
  335   HG22  ILE  49          HG22      ILE  49  -6.600   2.344   0.956
  336   HG23  ILE  49          HG23      ILE  49  -7.943   2.926   1.935
  337   HD11  ILE  49          HD11      ILE  49  -3.274   2.423   3.668
  338   HD12  ILE  49          HD12      ILE  49  -4.811   1.640   3.301
  339   HD13  ILE  49          HD13      ILE  49  -4.742   2.932   4.501
  340    H    PHE  50           HN       PHE  50  -3.943   6.101   1.199
  341    HA   PHE  50           HA       PHE  50  -4.443   8.046   3.231
  342    HB2  PHE  50           HB2      PHE  50  -2.083   7.417   1.489
  343    HB3  PHE  50           HB1      PHE  50  -2.106   8.891   2.459
  344    HD1  PHE  50           HD1      PHE  50  -2.079   8.795   4.878
  345    HD2  PHE  50           HD2      PHE  50  -1.933   5.237   2.542
  346    HE1  PHE  50           HE1      PHE  50  -1.386   7.527   6.864
  347    HE2  PHE  50           HE2      PHE  50  -1.238   3.964   4.527
  348    HZ   PHE  50           HZ       PHE  50  -0.966   5.111   6.692
  349    H    CYS  51           HN       CYS  51  -4.263   8.188  -0.304
  350    HA   CYS  51           HA       CYS  51  -4.507  11.034  -0.367
  351    HB2  CYS  51           HB2      CYS  51  -4.761   8.887  -2.451
  352    HB3  CYS  51           HB1      CYS  51  -5.253  10.539  -2.813
  353    H    ARG  52           HN       ARG  52  -6.746   8.385  -0.180
  354    HA   ARG  52           HA       ARG  52  -9.048  10.084  -0.628
  355    HB2  ARG  52           HB2      ARG  52  -8.973   7.662  -1.286
  356    HB3  ARG  52           HB1      ARG  52  -8.938   7.248   0.419
  357    HG2  ARG  52           HG2      ARG  52 -11.162   6.965  -0.323
  358    HG3  ARG  52           HG1      ARG  52 -11.133   8.425   0.665
  359    HD2  ARG  52           HD2      ARG  52 -10.929   8.472  -2.341
  360    HD3  ARG  52           HD1      ARG  52 -12.467   8.541  -1.487
  361    HE   ARG  52           HE       ARG  52 -11.112  10.564  -0.357
  362   HH11  ARG  52          HH11      ARG  52 -11.637   9.675  -3.698
  363   HH12  ARG  52          HH12      ARG  52 -11.583  11.312  -4.275
  364   HH21  ARG  52          HH21      ARG  52 -11.050  12.728  -1.116
  365   HH22  ARG  52          HH22      ARG  52 -11.246  13.044  -2.813
  366    H    MET  53           HN       MET  53  -6.929   9.513   1.839
  367    HA   MET  53           HA       MET  53  -6.821   9.921   4.060
  368    HB2  MET  53           HB2      MET  53  -9.281  11.571   3.455
  369    HB3  MET  53           HB1      MET  53  -8.460  11.574   5.010
  370    HG2  MET  53           HG2      MET  53  -6.415  12.371   3.908
  371    HG3  MET  53           HG1      MET  53  -7.274  12.410   2.370
  372    HE1  MET  53           HE1      MET  53  -8.624  13.426   5.957
  373    HE2  MET  53           HE2      MET  53  -8.234  15.145   5.965
  374    HE3  MET  53           HE3      MET  53  -6.940  13.947   5.947
  375    H    LYS  54           HN       LYS  54  -8.287   7.629   3.041
  376    HA   LYS  54           HA       LYS  54  -9.534   5.884   3.719
  377    HB2  LYS  54           HB2      LYS  54  -9.084   7.191   6.393
  378    HB3  LYS  54           HB1      LYS  54  -9.942   5.669   6.216
  379    HG2  LYS  54           HG2      LYS  54  -7.954   4.671   5.191
  380    HG3  LYS  54           HG1      LYS  54  -7.092   6.198   5.389
  381    HD2  LYS  54           HD2      LYS  54  -6.548   4.579   7.162
  382    HD3  LYS  54           HD1      LYS  54  -7.305   6.039   7.801
  383    HE2  LYS  54           HE2      LYS  54  -8.193   4.014   8.863
  384    HE3  LYS  54           HE1      LYS  54  -9.439   4.881   7.971
  385    HZ1  LYS  54           HZ1      LYS  54  -8.005   2.442   7.076
  386    HZ2  LYS  54           HZ2      LYS  54  -9.113   3.301   6.134
  387    HZ3  LYS  54           HZ3      LYS  54  -9.625   2.541   7.552
  388    H    GLU  55           HN       GLU  55 -11.611   5.284   5.030
  389    HA   GLU  55           HA       GLU  55 -13.489   7.447   5.339
  390    HB2  GLU  55           HB2      GLU  55 -13.618   6.946   2.909
  391    HB3  GLU  55           HB1      GLU  55 -14.043   5.285   3.298
  392    HG2  GLU  55           HG2      GLU  55 -16.022   6.188   4.537
  393    HG3  GLU  55           HG1      GLU  55 -15.636   7.769   3.865
  394    H    SER  56           HN       SER  56 -14.375   6.991   7.216
  395    HA   SER  56           HA       SER  56 -15.677   4.469   7.659
  396    HB2  SER  56           HB2      SER  56 -13.267   4.090   8.366
  397    HB3  SER  56           HB1      SER  56 -13.526   5.300   9.622
  398    HG   SER  56           HG       SER  56 -14.527   3.855  10.760
  Start of MODEL   17
    1    H1   GLY   1           HT1      GLY   1  20.230  -3.287  -3.352
    2    H2   GLY   1           HT2      GLY   1  20.933  -1.979  -2.544
    3    H3   GLY   1           HT3      GLY   1  20.404  -1.801  -4.138
    4    HA2  GLY   1           HA1      GLY   1  18.117  -2.166  -3.447
    5    HA3  GLY   1           HA2      GLY   1  18.676  -2.320  -1.789
    6    H    ALA   2           HN       ALA   2  17.623  -0.601  -0.939
    7    HA   ALA   2           HA       ALA   2  17.193   1.525  -0.317
    8    HB1  ALA   2           HB1      ALA   2  19.613   1.774  -0.168
    9    HB2  ALA   2           HB2      ALA   2  18.859   3.268  -0.725
   10    HB3  ALA   2           HB3      ALA   2  19.684   2.215  -1.874
   11    H    MET   3           HN       MET   3  18.589   2.453  -3.442
   12    HA   MET   3           HA       MET   3  15.993   3.614  -4.147
   13    HB2  MET   3           HB2      MET   3  17.903   5.128  -4.258
   14    HB3  MET   3           HB1      MET   3  18.734   4.030  -5.351
   15    HG2  MET   3           HG2      MET   3  16.978   4.377  -7.025
   16    HG3  MET   3           HG1      MET   3  16.171   5.500  -5.933
   17    HE1  MET   3           HE1      MET   3  16.210   7.261  -8.021
   18    HE2  MET   3           HE2      MET   3  17.078   6.059  -8.975
   19    HE3  MET   3           HE3      MET   3  17.700   7.704  -8.855
   20    H    GLY   4           HN       GLY   4  14.715   2.643  -5.559
   21    HA2  GLY   4           HA2      GLY   4  14.475   1.773  -7.819
   22    HA3  GLY   4           HA1      GLY   4  15.962   0.871  -7.562
   23    H    MET   5           HN       MET   5  15.926  -1.027  -6.383
   24    HA   MET   5           HA       MET   5  13.560  -2.540  -6.664
   25    HB2  MET   5           HB2      MET   5  15.810  -3.533  -6.768
   26    HB3  MET   5           HB1      MET   5  16.050  -3.162  -5.067
   27    HG2  MET   5           HG2      MET   5  14.103  -4.621  -4.540
   28    HG3  MET   5           HG1      MET   5  14.061  -5.087  -6.238
   29    HE1  MET   5           HE1      MET   5  15.988  -5.257  -2.860
   30    HE2  MET   5           HE2      MET   5  17.168  -4.422  -3.871
   31    HE3  MET   5           HE3      MET   5  17.490  -6.063  -3.313
   32    H    ARG   6           HN       ARG   6  11.820  -2.508  -5.407
   33    HA   ARG   6           HA       ARG   6  11.869  -1.513  -2.717
   34    HB2  ARG   6           HB2      ARG   6   9.724  -2.983  -4.261
   35    HB3  ARG   6           HB1      ARG   6   9.500  -2.300  -2.661
   36    HG2  ARG   6           HG2      ARG   6  10.256  -0.686  -5.085
   37    HG3  ARG   6           HG1      ARG   6   8.599  -0.919  -4.527
   38    HD2  ARG   6           HD2      ARG   6   9.242   1.146  -3.630
   39    HD3  ARG   6           HD1      ARG   6   9.403   0.012  -2.295
   40    HE   ARG   6           HE       ARG   6  11.794   0.597  -3.862
   41   HH11  ARG   6          HH11      ARG   6   9.951   1.079  -0.927
   42   HH12  ARG   6          HH12      ARG   6  11.288   1.733  -0.039
   43   HH21  ARG   6          HH21      ARG   6  13.562   1.483  -2.694
   44   HH22  ARG   6          HH22      ARG   6  13.339   1.957  -1.040
   45    H    ASN   7           HN       ASN   7  12.730  -2.671  -1.105
   46    HA   ASN   7           HA       ASN   7  13.041  -5.517  -1.281
   47    HB2  ASN   7           HB2      ASN   7  13.466  -3.653   1.066
   48    HB3  ASN   7           HB1      ASN   7  13.921  -5.348   1.029
   49   HD21  ASN   7          HD21      ASN   7  14.664  -2.159  -0.112
   50   HD22  ASN   7          HD22      ASN   7  16.225  -2.540  -0.743
   51    H    LEU   8           HN       LEU   8  11.204  -6.653  -1.258
   52    HA   LEU   8           HA       LEU   8   9.028  -5.886   0.516
   53    HB2  LEU   8           HB2      LEU   8   9.162  -8.143  -1.480
   54    HB3  LEU   8           HB1      LEU   8   7.720  -7.541  -0.683
   55    HG   LEU   8           HG       LEU   8   9.394  -5.990  -2.663
   56   HD11  LEU   8          HD11      LEU   8   8.204  -7.808  -3.735
   57   HD12  LEU   8          HD12      LEU   8   7.475  -6.259  -4.156
   58   HD13  LEU   8          HD13      LEU   8   6.700  -7.302  -2.966
   59   HD21  LEU   8          HD21      LEU   8   7.559  -4.372  -2.600
   60   HD22  LEU   8          HD22      LEU   8   8.338  -4.538  -1.028
   61   HD23  LEU   8          HD23      LEU   8   6.780  -5.308  -1.325
   62    H    ASP   9           HN       ASP   9  11.495  -6.890   1.596
   63    HA   ASP   9           HA       ASP   9  11.092  -9.654   2.310
   64    HB2  ASP   9           HB2      ASP   9  13.342  -8.700   1.816
   65    HB3  ASP   9           HB1      ASP   9  13.205  -7.722   3.271
   66    H    GLU  10           HN       GLU  10  10.357  -6.567   3.620
   67    HA   GLU  10           HA       GLU  10  10.023  -7.605   6.327
   68    HB2  GLU  10           HB2      GLU  10   9.732  -4.823   5.183
   69    HB3  GLU  10           HB1      GLU  10   9.501  -5.231   6.876
   70    HG2  GLU  10           HG2      GLU  10  12.068  -5.751   5.419
   71    HG3  GLU  10           HG1      GLU  10  11.725  -4.226   6.236
   72    H    CYS  11           HN       CYS  11   8.306  -7.115   3.489
   73    HA   CYS  11           HA       CYS  11   5.732  -6.757   4.855
   74    HB2  CYS  11           HB2      CYS  11   6.500  -5.091   3.107
   75    HB3  CYS  11           HB1      CYS  11   6.324  -6.373   1.925
   76    H    GLU  12           HN       GLU  12   5.232  -8.860   5.372
   77    HA   GLU  12           HA       GLU  12   5.705 -11.109   3.774
   78    HB2  GLU  12           HB2      GLU  12   5.134 -11.049   6.239
   79    HB3  GLU  12           HB1      GLU  12   3.461 -10.800   5.763
   80    HG2  GLU  12           HG2      GLU  12   3.761 -13.108   6.252
   81    HG3  GLU  12           HG1      GLU  12   3.564 -12.942   4.508
   82    H    VAL  13           HN       VAL  13   3.030  -8.847   3.897
   83    HA   VAL  13           HA       VAL  13   1.244 -10.410   2.358
   84    HB   VAL  13           HB       VAL  13   0.302  -8.714   3.728
   85   HG11  VAL  13          HG11      VAL  13   2.254  -7.199   3.718
   86   HG12  VAL  13          HG12      VAL  13   0.714  -6.375   3.509
   87   HG13  VAL  13          HG13      VAL  13   1.764  -6.641   2.119
   88   HG21  VAL  13          HG21      VAL  13  -0.879  -9.153   1.634
   89   HG22  VAL  13          HG22      VAL  13   0.030  -7.856   0.855
   90   HG23  VAL  13          HG23      VAL  13  -1.095  -7.484   2.162
   91    H    CYS  14           HN       CYS  14   3.568  -7.860   1.440
   92    HA   CYS  14           HA       CYS  14   2.917  -7.844  -1.308
   93    HB2  CYS  14           HB2      CYS  14   5.234  -6.964   0.312
   94    HB3  CYS  14           HB1      CYS  14   5.537  -7.248  -1.394
   95    H    ARG  15           HN       ARG  15   5.084  -9.783   0.617
   96    HA   ARG  15           HA       ARG  15   6.368 -11.200  -1.439
   97    HB2  ARG  15           HB2      ARG  15   7.154 -11.169   0.871
   98    HB3  ARG  15           HB1      ARG  15   5.706 -12.016   1.392
   99    HG2  ARG  15           HG2      ARG  15   6.388 -13.963   0.073
  100    HG3  ARG  15           HG1      ARG  15   7.866 -13.113  -0.395
  101    HD2  ARG  15           HD2      ARG  15   8.501 -12.935   1.959
  102    HD3  ARG  15           HD1      ARG  15   7.026 -13.779   2.421
  103    HE   ARG  15           HE       ARG  15   8.912 -15.152   0.649
  104   HH11  ARG  15          HH11      ARG  15   7.368 -14.846   3.782
  105   HH12  ARG  15          HH12      ARG  15   8.014 -16.348   4.381
  106   HH21  ARG  15          HH21      ARG  15   9.742 -17.139   1.432
  107   HH22  ARG  15          HH22      ARG  15   9.341 -17.660   3.040
  108    H    ASP  16           HN       ASP  16   3.379 -11.775   0.315
  109    HA   ASP  16           HA       ASP  16   2.716 -14.210  -0.974
  110    HB2  ASP  16           HB2      ASP  16   1.754 -13.581   1.177
  111    HB3  ASP  16           HB1      ASP  16   0.964 -12.191   0.445
  112    H    GLY  17           HN       GLY  17   2.657 -11.005  -2.074
  113    HA2  GLY  17           HA2      GLY  17   2.151 -10.395  -4.302
  114    HA3  GLY  17           HA1      GLY  17   1.131 -11.822  -4.437
  115    H    GLY  18           HN       GLY  18   0.810  -9.944  -1.609
  116    HA2  GLY  18           HA2      GLY  18  -1.903  -9.345  -2.028
  117    HA3  GLY  18           HA1      GLY  18  -0.881  -8.647  -0.783
  118    H    GLU  19           HN       GLU  19  -2.855  -7.178  -1.950
  119    HA   GLU  19           HA       GLU  19  -1.750  -5.630  -4.134
  120    HB2  GLU  19           HB2      GLU  19  -4.353  -5.317  -2.632
  121    HB3  GLU  19           HB1      GLU  19  -3.916  -4.488  -4.121
  122    HG2  GLU  19           HG2      GLU  19  -3.767  -6.680  -5.249
  123    HG3  GLU  19           HG1      GLU  19  -4.321  -7.446  -3.761
  124    H    LEU  20           HN       LEU  20  -1.250  -3.463  -4.058
  125    HA   LEU  20           HA       LEU  20  -0.830  -2.366  -1.357
  126    HB2  LEU  20           HB2      LEU  20   1.099  -2.853  -3.078
  127    HB3  LEU  20           HB1      LEU  20   0.568  -1.350  -3.804
  128    HG   LEU  20           HG       LEU  20   1.519  -1.648  -0.950
  129   HD11  LEU  20          HD11      LEU  20   2.914  -0.490  -3.361
  130   HD12  LEU  20          HD12      LEU  20   3.308  -2.021  -2.578
  131   HD13  LEU  20          HD13      LEU  20   3.528  -0.501  -1.708
  132   HD21  LEU  20          HD21      LEU  20   1.554   0.779  -0.924
  133   HD22  LEU  20          HD22      LEU  20  -0.074   0.194  -1.268
  134   HD23  LEU  20          HD23      LEU  20   0.930   0.828  -2.572
  135    H    PHE  21           HN       PHE  21  -2.092  -0.690  -0.823
  136    HA   PHE  21           HA       PHE  21  -3.680   0.537  -2.970
  137    HB2  PHE  21           HB2      PHE  21  -4.202   0.381   0.010
  138    HB3  PHE  21           HB1      PHE  21  -5.278   1.128  -1.171
  139    HD1  PHE  21           HD2      PHE  21  -5.503  -0.642  -3.338
  140    HD2  PHE  21           HD1      PHE  21  -5.053  -1.610   0.785
  141    HE1  PHE  21           HE2      PHE  21  -6.577  -2.816  -3.736
  142    HE2  PHE  21           HE1      PHE  21  -6.128  -3.789   0.390
  143    HZ   PHE  21           HZ       PHE  21  -6.891  -4.389  -1.870
  144    H    CYS  22           HN       CYS  22  -1.405   1.715  -3.134
  145    HA   CYS  22           HA       CYS  22  -1.837   4.369  -2.060
  146    HB2  CYS  22           HB2      CYS  22   0.381   2.588  -1.153
  147    HB3  CYS  22           HB1      CYS  22   0.729   4.299  -1.373
  148    H    CYS  23           HN       CYS  23  -0.748   5.990  -3.205
  149    HA   CYS  23           HA       CYS  23   0.258   5.485  -5.805
  150    HB2  CYS  23           HB2      CYS  23   1.040   7.917  -4.211
  151    HB3  CYS  23           HB1      CYS  23   0.679   7.797  -5.931
  152    H    ASP  24           HN       ASP  24   2.544   5.811  -6.502
  153    HA   ASP  24           HA       ASP  24   4.292   4.155  -5.181
  154    HB2  ASP  24           HB2      ASP  24   4.865   6.427  -7.071
  155    HB3  ASP  24           HB1      ASP  24   6.134   5.373  -6.455
  156    H    THR  25           HN       THR  25   4.218   7.702  -4.932
  157    HA   THR  25           HA       THR  25   6.318   8.000  -3.116
  158    HB   THR  25           HB       THR  25   3.846   9.718  -3.087
  159    HG1  THR  25           HG1      THR  25   5.850   9.442  -5.061
  160   HG21  THR  25          HG21      THR  25   6.770  10.371  -2.711
  161   HG22  THR  25          HG22      THR  25   5.601  10.159  -1.409
  162   HG23  THR  25          HG23      THR  25   5.418  11.491  -2.549
  163    H    CYS  26           HN       CYS  26   2.842   7.610  -2.545
  164    HA   CYS  26           HA       CYS  26   2.918   7.765   0.259
  165    HB2  CYS  26           HB2      CYS  26   0.908   6.330  -1.493
  166    HB3  CYS  26           HB1      CYS  26   0.643   6.871   0.161
  167    H    SER  27           HN       SER  27   3.183   5.055  -1.979
  168    HA   SER  27           HA       SER  27   3.154   2.975  -0.072
  169    HB2  SER  27           HB2      SER  27   4.533   2.998  -2.765
  170    HB3  SER  27           HB1      SER  27   3.977   1.585  -1.871
  171    HG   SER  27           HG       SER  27   2.570   2.352  -3.607
  172    H    ARG  28           HN       ARG  28   5.694   5.051  -1.297
  173    HA   ARG  28           HA       ARG  28   7.849   3.486  -0.296
  174    HB2  ARG  28           HB2      ARG  28   7.636   6.294  -1.334
  175    HB3  ARG  28           HB1      ARG  28   9.154   5.637  -0.733
  176    HG2  ARG  28           HG2      ARG  28   9.209   3.979  -2.427
  177    HG3  ARG  28           HG1      ARG  28   7.547   4.322  -2.908
  178    HD2  ARG  28           HD2      ARG  28   9.167   5.268  -4.480
  179    HD3  ARG  28           HD1      ARG  28   8.205   6.519  -3.695
  180    HE   ARG  28           HE       ARG  28  10.254   6.684  -2.149
  181   HH11  ARG  28          HH11      ARG  28  10.411   5.875  -5.554
  182   HH12  ARG  28          HH12      ARG  28  11.956   6.625  -5.787
  183   HH21  ARG  28          HH21      ARG  28  12.279   7.659  -2.446
  184   HH22  ARG  28          HH22      ARG  28  13.020   7.645  -4.014
  185    H    VAL  29           HN       VAL  29   5.820   5.921   1.108
  186    HA   VAL  29           HA       VAL  29   7.700   6.217   3.328
  187    HB   VAL  29           HB       VAL  29   6.220   8.121   4.043
  188   HG11  VAL  29          HG11      VAL  29   7.087   9.638   2.299
  189   HG12  VAL  29          HG12      VAL  29   7.523   8.232   1.326
  190   HG13  VAL  29          HG13      VAL  29   8.307   8.506   2.883
  191   HG21  VAL  29          HG21      VAL  29   4.712   9.075   2.380
  192   HG22  VAL  29          HG22      VAL  29   4.196   7.451   2.834
  193   HG23  VAL  29          HG23      VAL  29   5.027   7.716   1.302
  194    H    PHE  30           HN       PHE  30   4.319   5.284   2.713
  195    HA   PHE  30           HA       PHE  30   4.214   4.378   5.527
  196    HB2  PHE  30           HB2      PHE  30   1.781   5.042   3.872
  197    HB3  PHE  30           HB1      PHE  30   1.882   4.829   5.614
  198    HD1  PHE  30           HD2      PHE  30   4.014   6.533   6.455
  199    HD2  PHE  30           HD1      PHE  30   1.112   7.210   3.411
  200    HE1  PHE  30           HE2      PHE  30   4.281   8.959   6.744
  201    HE2  PHE  30           HE1      PHE  30   1.381   9.638   3.695
  202    HZ   PHE  30           HZ       PHE  30   2.872  10.524   5.336
  203    H    HIS  31           HN       HIS  31   5.320   2.740   3.611
  204    HA   HIS  31           HA       HIS  31   3.715   1.221   1.988
  205    HB2  HIS  31           HB2      HIS  31   6.208   1.171   2.061
  206    HB3  HIS  31           HB1      HIS  31   6.108   0.186   3.513
  207    HD1  HIS  31           HD1      HIS  31   4.980  -0.028  -0.146
  208    HD2  HIS  31           HD2      HIS  31   6.104  -2.450   3.038
  209    HE1  HIS  31           HE1      HIS  31   5.104  -2.390  -1.055
  210    H    GLU  32           HN       GLU  32   4.496   0.548   5.395
  211    HA   GLU  32           HA       GLU  32   3.276  -2.008   5.406
  212    HB2  GLU  32           HB2      GLU  32   3.937  -0.146   7.689
  213    HB3  GLU  32           HB1      GLU  32   3.441  -1.823   7.880
  214    HG2  GLU  32           HG2      GLU  32   5.404  -2.580   6.702
  215    HG3  GLU  32           HG1      GLU  32   5.884  -0.916   6.375
  216    H    ASP  33           HN       ASP  33   2.165   1.190   6.380
  217    HA   ASP  33           HA       ASP  33  -0.407   0.309   7.253
  218    HB2  ASP  33           HB2      ASP  33   0.662   3.035   6.536
  219    HB3  ASP  33           HB1      ASP  33  -0.993   2.770   7.071
  220    H    CYS  34           HN       CYS  34   0.975   1.102   4.206
  221    HA   CYS  34           HA       CYS  34  -1.424   1.716   2.821
  222    HB2  CYS  34           HB2      CYS  34   1.345   0.942   1.963
  223    HB3  CYS  34           HB1      CYS  34   0.051   1.131   0.781
  224    H    HIS  35           HN       HIS  35  -0.416  -1.166   4.142
  225    HA   HIS  35           HA       HIS  35  -1.991  -2.719   2.195
  226    HB2  HIS  35           HB2      HIS  35   0.077  -3.681   4.184
  227    HB3  HIS  35           HB1      HIS  35  -0.885  -4.727   3.145
  228    HD1  HIS  35           HD1      HIS  35  -0.195  -4.843   0.620
  229    HD2  HIS  35           HD2      HIS  35   2.113  -2.279   2.933
  230    HE1  HIS  35           HE1      HIS  35   1.846  -4.273  -0.765
  231    H    ILE  36           HN       ILE  36  -2.244  -1.264   5.176
  232    HA   ILE  36           HA       ILE  36  -4.442  -2.994   5.976
  233    HB   ILE  36           HB       ILE  36  -3.608  -3.019   8.371
  234   HG12  ILE  36          HG12      ILE  36  -0.948  -2.495   7.040
  235   HG13  ILE  36          HG11      ILE  36  -1.824  -1.326   8.021
  236   HG21  ILE  36          HG21      ILE  36  -3.663  -5.024   7.002
  237   HG22  ILE  36          HG22      ILE  36  -2.248  -5.020   8.055
  238   HG23  ILE  36          HG23      ILE  36  -2.074  -4.632   6.342
  239   HD11  ILE  36          HD11      ILE  36  -0.762  -3.975   8.970
  240   HD12  ILE  36          HD12      ILE  36  -1.614  -2.786   9.955
  241   HD13  ILE  36          HD13      ILE  36  -0.036  -2.397   9.272
  242    HA   PRO  37           HA       PRO  37  -6.074  -3.069   7.119
  243    HB2  PRO  37           HB2      PRO  37  -8.583  -1.654   6.891
  244    HB3  PRO  37           HB1      PRO  37  -7.979  -2.600   8.256
  245    HG2  PRO  37           HG2      PRO  37  -8.319   0.115   8.316
  246    HG3  PRO  37           HG1      PRO  37  -7.148  -0.755   9.324
  247    HD2  PRO  37           HD2      PRO  37  -6.703   0.751   6.768
  248    HD3  PRO  37           HD1      PRO  37  -5.708   0.712   8.241
  249    HA   PRO  38           HA       PRO  38  -6.534  -3.054   2.672
  250    HB2  PRO  38           HB2      PRO  38  -7.650  -5.742   2.919
  251    HB3  PRO  38           HB1      PRO  38  -6.128  -5.231   2.185
  252    HG2  PRO  38           HG2      PRO  38  -6.245  -6.643   4.502
  253    HG3  PRO  38           HG1      PRO  38  -4.944  -5.498   4.127
  254    HD2  PRO  38           HD2      PRO  38  -7.331  -5.141   5.900
  255    HD3  PRO  38           HD1      PRO  38  -5.662  -4.573   6.120
  256    H    VAL  39           HN       VAL  39  -8.194  -1.982   1.777
  257    HA   VAL  39           HA       VAL  39 -10.885  -2.250   2.669
  258    HB   VAL  39           HB       VAL  39 -11.472  -0.850   0.704
  259   HG11  VAL  39          HG11      VAL  39  -9.135   0.132   2.336
  260   HG12  VAL  39          HG12      VAL  39 -10.837   0.203   2.795
  261   HG13  VAL  39          HG13      VAL  39 -10.251   1.154   1.429
  262   HG21  VAL  39          HG21      VAL  39  -9.687   0.069  -0.696
  263   HG22  VAL  39          HG22      VAL  39  -9.808  -1.681  -0.871
  264   HG23  VAL  39          HG23      VAL  39  -8.518  -0.980   0.105
  265    H    GLU  40           HN       GLU  40 -12.635  -3.255   1.624
  266    HA   GLU  40           HA       GLU  40 -11.757  -5.431  -0.147
  267    HB2  GLU  40           HB2      GLU  40 -12.544  -6.009   2.199
  268    HB3  GLU  40           HB1      GLU  40 -14.147  -5.497   1.692
  269    HG2  GLU  40           HG2      GLU  40 -13.876  -7.915   1.560
  270    HG3  GLU  40           HG1      GLU  40 -14.179  -7.203  -0.026
  271    H    ALA  41           HN       ALA  41 -13.227  -6.193  -1.722
  272    HA   ALA  41           HA       ALA  41 -14.719  -6.048  -3.405
  273    HB1  ALA  41           HB1      ALA  41 -16.405  -5.744  -1.654
  274    HB2  ALA  41           HB2      ALA  41 -16.802  -4.852  -3.121
  275    HB3  ALA  41           HB3      ALA  41 -16.151  -4.001  -1.721
  276    H    GLU  42           HN       GLU  42 -14.680  -2.670  -2.273
  277    HA   GLU  42           HA       GLU  42 -14.350  -1.808  -5.027
  278    HB2  GLU  42           HB2      GLU  42 -14.772  -0.244  -2.475
  279    HB3  GLU  42           HB1      GLU  42 -14.661   0.475  -4.076
  280    HG2  GLU  42           HG2      GLU  42 -16.726  -1.547  -3.244
  281    HG3  GLU  42           HG1      GLU  42 -16.979   0.197  -3.290
  282    H    ARG  43           HN       ARG  43 -12.149  -3.045  -4.638
  283    HA   ARG  43           HA       ARG  43 -10.138  -0.967  -4.053
  284    HB2  ARG  43           HB2      ARG  43  -8.672  -2.530  -3.099
  285    HB3  ARG  43           HB1      ARG  43 -10.236  -2.952  -2.429
  286    HG2  ARG  43           HG2      ARG  43  -8.938  -4.362  -4.753
  287    HG3  ARG  43           HG1      ARG  43  -8.858  -4.900  -3.078
  288    HD2  ARG  43           HD2      ARG  43 -11.302  -5.110  -3.041
  289    HD3  ARG  43           HD1      ARG  43 -11.365  -4.596  -4.726
  290    HE   ARG  43           HE       ARG  43  -9.660  -6.859  -4.317
  291   HH11  ARG  43          HH11      ARG  43 -12.974  -5.855  -4.875
  292   HH12  ARG  43          HH12      ARG  43 -13.472  -7.406  -5.468
  293   HH21  ARG  43          HH21      ARG  43 -10.314  -8.888  -5.111
  294   HH22  ARG  43          HH22      ARG  43 -11.963  -9.133  -5.593
  295    H    THR  44           HN       THR  44 -11.602  -2.020  -6.518
  296    HA   THR  44           HA       THR  44  -9.263  -2.836  -8.104
  297    HB   THR  44           HB       THR  44 -10.989  -3.708  -9.742
  298    HG1  THR  44           HG1      THR  44 -12.668  -2.376  -8.425
  299   HG21  THR  44          HG21      THR  44 -11.543  -5.733  -8.403
  300   HG22  THR  44          HG22      THR  44 -10.930  -4.910  -6.969
  301   HG23  THR  44          HG23      THR  44  -9.842  -5.280  -8.306
  302    HA   PRO  45           HA       PRO  45  -8.358  -2.778  -9.840
  303    HB2  PRO  45           HB2      PRO  45  -6.707  -0.899 -11.248
  304    HB3  PRO  45           HB1      PRO  45  -7.599  -2.273 -11.913
  305    HG2  PRO  45           HG2      PRO  45  -8.177   0.369 -12.452
  306    HG3  PRO  45           HG1      PRO  45  -9.341  -0.968 -12.587
  307    HD2  PRO  45           HD2      PRO  45  -8.983   1.018 -10.364
  308    HD3  PRO  45           HD1      PRO  45 -10.482   0.367 -11.066
  309    H    TRP  46           HN       TRP  46  -7.900   0.570  -8.892
  310    HA   TRP  46           HA       TRP  46  -5.991  -0.164  -6.856
  311    HB2  TRP  46           HB2      TRP  46  -4.437   0.025  -8.687
  312    HB3  TRP  46           HB1      TRP  46  -5.201   1.502  -9.262
  313    HD1  TRP  46           HD1      TRP  46  -2.748   0.236  -6.609
  314    HE1  TRP  46           HE1      TRP  46  -1.503   2.261  -5.610
  315    HE3  TRP  46           HE3      TRP  46  -5.430   4.006  -8.799
  316    HZ2  TRP  46           HZ2      TRP  46  -1.655   5.079  -5.732
  317    HZ3  TRP  46           HZ3      TRP  46  -4.814   6.335  -8.307
  318    HH2  TRP  46           HH2      TRP  46  -2.965   6.859  -6.804
  319    H    ASN  47           HN       ASN  47  -6.119   1.229  -5.161
  320    HA   ASN  47           HA       ASN  47  -6.878   3.985  -5.604
  321    HB2  ASN  47           HB2      ASN  47  -8.678   3.986  -3.945
  322    HB3  ASN  47           HB1      ASN  47  -9.062   2.860  -5.240
  323   HD21  ASN  47          HD21      ASN  47  -9.988   3.040  -2.450
  324   HD22  ASN  47          HD22      ASN  47  -9.666   1.491  -1.754
  325    H    CYS  48           HN       CYS  48  -5.968   5.348  -4.106
  326    HA   CYS  48           HA       CYS  48  -4.128   4.102  -2.214
  327    HB2  CYS  48           HB2      CYS  48  -3.266   5.874  -3.672
  328    HB3  CYS  48           HB1      CYS  48  -4.466   6.993  -3.048
  329    H    ILE  49           HN       ILE  49  -4.956   3.612  -0.296
  330    HA   ILE  49           HA       ILE  49  -7.411   4.568   0.651
  331    HB   ILE  49           HB       ILE  49  -6.773   3.574   2.857
  332   HG12  ILE  49          HG12      ILE  49  -4.223   2.825   1.404
  333   HG13  ILE  49          HG11      ILE  49  -4.346   3.968   2.736
  334   HG21  ILE  49          HG21      ILE  49  -6.481   1.896   0.374
  335   HG22  ILE  49          HG22      ILE  49  -7.956   2.236   1.277
  336   HG23  ILE  49          HG23      ILE  49  -6.693   1.238   1.995
  337   HD11  ILE  49          HD11      ILE  49  -4.921   1.018   2.851
  338   HD12  ILE  49          HD12      ILE  49  -5.123   2.148   4.190
  339   HD13  ILE  49          HD13      ILE  49  -3.519   1.848   3.525
  340    H    PHE  50           HN       PHE  50  -4.176   5.799   1.138
  341    HA   PHE  50           HA       PHE  50  -4.955   7.580   3.239
  342    HB2  PHE  50           HB2      PHE  50  -2.489   7.312   1.551
  343    HB3  PHE  50           HB1      PHE  50  -2.714   8.717   2.592
  344    HD1  PHE  50           HD2      PHE  50  -2.182   5.098   2.487
  345    HD2  PHE  50           HD1      PHE  50  -2.629   8.506   5.005
  346    HE1  PHE  50           HE2      PHE  50  -1.327   3.802   4.388
  347    HE2  PHE  50           HE1      PHE  50  -1.768   7.210   6.908
  348    HZ   PHE  50           HZ       PHE  50  -1.170   4.893   6.645
  349    H    CYS  51           HN       CYS  51  -4.231   8.104  -0.238
  350    HA   CYS  51           HA       CYS  51  -4.839  10.863  -0.130
  351    HB2  CYS  51           HB2      CYS  51  -4.626   8.937  -2.437
  352    HB3  CYS  51           HB1      CYS  51  -5.050  10.628  -2.675
  353    H    ARG  52           HN       ARG  52  -6.874   8.050  -0.589
  354    HA   ARG  52           HA       ARG  52  -9.108   9.607  -1.566
  355    HB2  ARG  52           HB2      ARG  52  -8.924   6.719  -0.694
  356    HB3  ARG  52           HB1      ARG  52 -10.353   7.455  -1.399
  357    HG2  ARG  52           HG2      ARG  52  -7.727   7.455  -2.840
  358    HG3  ARG  52           HG1      ARG  52  -8.824   6.077  -2.916
  359    HD2  ARG  52           HD2      ARG  52  -9.620   8.898  -3.629
  360    HD3  ARG  52           HD1      ARG  52  -9.046   7.715  -4.802
  361    HE   ARG  52           HE       ARG  52 -11.224   6.706  -3.260
  362   HH11  ARG  52          HH11      ARG  52 -10.445   8.788  -5.965
  363   HH12  ARG  52          HH12      ARG  52 -11.978   8.560  -6.742
  364   HH21  ARG  52          HH21      ARG  52 -13.239   6.407  -4.290
  365   HH22  ARG  52          HH22      ARG  52 -13.566   7.215  -5.791
  366    H    MET  53           HN       MET  53  -7.777   9.099   1.440
  367    HA   MET  53           HA       MET  53 -10.371   9.436   2.803
  368    HB2  MET  53           HB2      MET  53  -9.266   7.369   3.455
  369    HB3  MET  53           HB1      MET  53  -7.787   8.240   3.827
  370    HG2  MET  53           HG2      MET  53  -9.012   9.444   5.615
  371    HG3  MET  53           HG1      MET  53 -10.410   8.420   5.286
  372    HE1  MET  53           HE1      MET  53  -8.995   7.076   8.712
  373    HE2  MET  53           HE2      MET  53 -10.396   7.762   7.892
  374    HE3  MET  53           HE3      MET  53  -8.957   8.747   8.152
  375    H    LYS  54           HN       LYS  54  -6.946  10.314   3.006
  376    HA   LYS  54           HA       LYS  54  -7.294  12.301   4.997
  377    HB2  LYS  54           HB2      LYS  54  -5.156  11.099   4.518
  378    HB3  LYS  54           HB1      LYS  54  -5.023  12.009   3.022
  379    HG2  LYS  54           HG2      LYS  54  -4.895  14.091   4.298
  380    HG3  LYS  54           HG1      LYS  54  -5.032  13.173   5.800
  381    HD2  LYS  54           HD2      LYS  54  -2.966  11.957   5.213
  382    HD3  LYS  54           HD1      LYS  54  -2.818  12.947   3.761
  383    HE2  LYS  54           HE2      LYS  54  -1.377  13.818   5.499
  384    HE3  LYS  54           HE1      LYS  54  -2.680  14.960   5.177
  385    HZ1  LYS  54           HZ1      LYS  54  -2.331  14.725   7.534
  386    HZ2  LYS  54           HZ2      LYS  54  -2.548  13.050   7.447
  387    HZ3  LYS  54           HZ3      LYS  54  -3.844  14.089   7.129
  388    H    GLU  55           HN       GLU  55  -6.206  12.781   1.648
  389    HA   GLU  55           HA       GLU  55  -6.383  14.515   0.213
  390    HB2  GLU  55           HB2      GLU  55  -8.755  13.780   0.234
  391    HB3  GLU  55           HB1      GLU  55  -9.069  14.932   1.524
  392    HG2  GLU  55           HG2      GLU  55  -9.785  15.785  -0.641
  393    HG3  GLU  55           HG1      GLU  55  -8.508  16.776   0.058
  394    H    SER  56           HN       SER  56  -4.671  15.569   1.309
  395    HA   SER  56           HA       SER  56  -5.496  18.101   2.514
  396    HB2  SER  56           HB2      SER  56  -4.938  16.411   4.328
  397    HB3  SER  56           HB1      SER  56  -3.290  16.401   3.704
  398    HG   SER  56           HG       SER  56  -3.057  18.522   4.280
  Start of MODEL   18
    1    H1   GLY   1           HT1      GLY   1  24.341   0.612  -4.526
    2    H2   GLY   1           HT2      GLY   1  24.784   1.545  -5.866
    3    H3   GLY   1           HT3      GLY   1  25.236  -0.081  -5.783
    4    HA2  GLY   1           HA1      GLY   1  23.392   0.202  -7.305
    5    HA3  GLY   1           HA2      GLY   1  22.938  -0.774  -5.915
    6    H    ALA   2           HN       ALA   2  20.769  -0.303  -6.079
    7    HA   ALA   2           HA       ALA   2  18.846   0.772  -5.553
    8    HB1  ALA   2           HB1      ALA   2  19.961   1.262  -3.433
    9    HB2  ALA   2           HB2      ALA   2  18.901   2.585  -3.920
   10    HB3  ALA   2           HB3      ALA   2  20.645   2.730  -4.129
   11    H    MET   3           HN       MET   3  19.438   1.166  -8.061
   12    HA   MET   3           HA       MET   3  19.492   3.978  -8.738
   13    HB2  MET   3           HB2      MET   3  20.478   2.228 -10.217
   14    HB3  MET   3           HB1      MET   3  18.865   1.586 -10.487
   15    HG2  MET   3           HG2      MET   3  18.200   3.732 -11.482
   16    HG3  MET   3           HG1      MET   3  19.846   4.323 -11.263
   17    HE1  MET   3           HE1      MET   3  18.412   4.422 -14.060
   18    HE2  MET   3           HE2      MET   3  19.677   3.820 -15.131
   19    HE3  MET   3           HE3      MET   3  20.085   4.931 -13.824
   20    H    GLY   4           HN       GLY   4  17.156   1.328  -8.837
   21    HA2  GLY   4           HA2      GLY   4  14.991   3.087  -8.153
   22    HA3  GLY   4           HA1      GLY   4  14.919   2.541  -9.825
   23    H    MET   5           HN       MET   5  16.048   0.790  -6.974
   24    HA   MET   5           HA       MET   5  14.077  -1.295  -7.609
   25    HB2  MET   5           HB2      MET   5  15.589  -2.878  -6.511
   26    HB3  MET   5           HB1      MET   5  16.402  -2.031  -7.819
   27    HG2  MET   5           HG2      MET   5  17.458  -0.543  -6.191
   28    HG3  MET   5           HG1      MET   5  16.665  -1.415  -4.883
   29    HE1  MET   5           HE1      MET   5  18.352  -4.943  -5.113
   30    HE2  MET   5           HE2      MET   5  16.854  -4.441  -5.895
   31    HE3  MET   5           HE3      MET   5  17.200  -3.933  -4.242
   32    H    ARG   6           HN       ARG   6  12.820  -2.190  -6.009
   33    HA   ARG   6           HA       ARG   6  13.011  -0.943  -3.351
   34    HB2  ARG   6           HB2      ARG   6  10.552  -1.113  -3.173
   35    HB3  ARG   6           HB1      ARG   6  11.052  -0.057  -4.485
   36    HG2  ARG   6           HG2      ARG   6  10.598  -1.810  -6.099
   37    HG3  ARG   6           HG1      ARG   6  10.153  -2.913  -4.798
   38    HD2  ARG   6           HD2      ARG   6   8.157  -2.013  -5.809
   39    HD3  ARG   6           HD1      ARG   6   8.322  -1.385  -4.171
   40    HE   ARG   6           HE       ARG   6   9.483   0.534  -5.704
   41   HH11  ARG   6          HH11      ARG   6   6.378  -1.085  -5.819
   42   HH12  ARG   6          HH12      ARG   6   5.541   0.289  -6.466
   43   HH21  ARG   6          HH21      ARG   6   8.384   2.346  -6.573
   44   HH22  ARG   6          HH22      ARG   6   6.682   2.240  -6.903
   45    H    ASN   7           HN       ASN   7  13.156  -2.321  -1.676
   46    HA   ASN   7           HA       ASN   7  12.894  -5.182  -2.279
   47    HB2  ASN   7           HB2      ASN   7  14.468  -3.710  -0.169
   48    HB3  ASN   7           HB1      ASN   7  14.202  -5.445  -0.102
   49   HD21  ASN   7          HD21      ASN   7  14.361  -5.844  -2.961
   50   HD22  ASN   7          HD22      ASN   7  16.027  -5.669  -3.385
   51    H    LEU   8           HN       LEU   8  10.809  -5.665  -1.921
   52    HA   LEU   8           HA       LEU   8   9.582  -4.825   0.597
   53    HB2  LEU   8           HB2      LEU   8   8.291  -6.314  -1.683
   54    HB3  LEU   8           HB1      LEU   8   7.486  -5.487  -0.364
   55    HG   LEU   8           HG       LEU   8   9.050  -4.174  -2.588
   56   HD11  LEU   8          HD11      LEU   8   6.880  -3.284  -3.267
   57   HD12  LEU   8          HD12      LEU   8   6.097  -4.219  -1.993
   58   HD13  LEU   8          HD13      LEU   8   6.908  -5.045  -3.323
   59   HD21  LEU   8          HD21      LEU   8   8.279  -2.064  -1.640
   60   HD22  LEU   8          HD22      LEU   8   9.281  -2.948  -0.492
   61   HD23  LEU   8          HD23      LEU   8   7.529  -2.930  -0.300
   62    H    ASP   9           HN       ASP   9  11.263  -6.335   1.541
   63    HA   ASP   9           HA       ASP   9  10.587  -9.169   1.238
   64    HB2  ASP   9           HB2      ASP   9  12.956  -8.456   0.926
   65    HB3  ASP   9           HB1      ASP   9  12.984  -7.950   2.611
   66    H    GLU  10           HN       GLU  10  10.611  -6.572   3.561
   67    HA   GLU  10           HA       GLU  10   9.969  -8.367   5.750
   68    HB2  GLU  10           HB2      GLU  10  10.159  -5.358   5.643
   69    HB3  GLU  10           HB1      GLU  10   9.787  -6.274   7.095
   70    HG2  GLU  10           HG2      GLU  10  11.977  -7.455   6.784
   71    HG3  GLU  10           HG1      GLU  10  12.338  -6.283   5.517
   72    H    CYS  11           HN       CYS  11   8.290  -7.345   3.238
   73    HA   CYS  11           HA       CYS  11   5.815  -6.869   4.743
   74    HB2  CYS  11           HB2      CYS  11   6.402  -5.176   3.018
   75    HB3  CYS  11           HB1      CYS  11   6.308  -6.435   1.795
   76    H    GLU  12           HN       GLU  12   5.138  -8.859   5.261
   77    HA   GLU  12           HA       GLU  12   5.425 -11.193   3.764
   78    HB2  GLU  12           HB2      GLU  12   4.831 -11.091   6.171
   79    HB3  GLU  12           HB1      GLU  12   3.234 -10.510   5.727
   80    HG2  GLU  12           HG2      GLU  12   2.874 -12.617   4.477
   81    HG3  GLU  12           HG1      GLU  12   4.422 -13.197   5.093
   82    H    VAL  13           HN       VAL  13   3.081  -8.634   3.602
   83    HA   VAL  13           HA       VAL  13   1.094 -10.076   2.179
   84    HB   VAL  13           HB       VAL  13   1.524  -7.096   2.384
   85   HG11  VAL  13          HG11      VAL  13  -0.875  -6.956   1.809
   86   HG12  VAL  13          HG12      VAL  13  -0.878  -8.693   1.508
   87   HG13  VAL  13          HG13      VAL  13   0.104  -7.626   0.504
   88   HG21  VAL  13          HG21      VAL  13  -0.225  -7.222   4.122
   89   HG22  VAL  13          HG22      VAL  13   1.247  -8.087   4.561
   90   HG23  VAL  13          HG23      VAL  13  -0.171  -8.980   4.010
   91    H    CYS  14           HN       CYS  14   3.497  -7.634   1.139
   92    HA   CYS  14           HA       CYS  14   2.881  -7.940  -1.618
   93    HB2  CYS  14           HB2      CYS  14   5.245  -6.763  -0.183
   94    HB3  CYS  14           HB1      CYS  14   5.177  -6.854  -1.940
   95    H    ARG  15           HN       ARG  15   4.974  -9.584   0.585
   96    HA   ARG  15           HA       ARG  15   6.541 -11.045  -1.236
   97    HB2  ARG  15           HB2      ARG  15   7.057 -10.957   1.136
   98    HB3  ARG  15           HB1      ARG  15   5.537 -11.744   1.526
   99    HG2  ARG  15           HG2      ARG  15   6.345 -13.746   0.277
  100    HG3  ARG  15           HG1      ARG  15   7.915 -12.950   0.139
  101    HD2  ARG  15           HD2      ARG  15   8.070 -12.815   2.567
  102    HD3  ARG  15           HD1      ARG  15   6.488 -13.573   2.720
  103    HE   ARG  15           HE       ARG  15   8.921 -14.909   1.712
  104   HH11  ARG  15          HH11      ARG  15   5.700 -15.052   3.086
  105   HH12  ARG  15          HH12      ARG  15   5.809 -16.738   3.474
  106   HH21  ARG  15          HH21      ARG  15   9.045 -17.132   2.200
  107   HH22  ARG  15          HH22      ARG  15   7.704 -17.924   2.968
  108    H    ASP  16           HN       ASP  16   3.377 -11.659   0.197
  109    HA   ASP  16           HA       ASP  16   2.915 -14.069  -1.259
  110    HB2  ASP  16           HB2      ASP  16   1.801 -13.605   0.873
  111    HB3  ASP  16           HB1      ASP  16   0.986 -12.218   0.162
  112    H    GLY  17           HN       GLY  17   2.839 -10.817  -2.140
  113    HA2  GLY  17           HA2      GLY  17   2.384  -9.977  -4.286
  114    HA3  GLY  17           HA1      GLY  17   1.489 -11.449  -4.647
  115    H    GLY  18           HN       GLY  18   0.850  -9.942  -1.661
  116    HA2  GLY  18           HA2      GLY  18  -1.884  -9.593  -2.150
  117    HA3  GLY  18           HA1      GLY  18  -0.997  -8.931  -0.793
  118    H    GLU  19           HN       GLU  19  -2.965  -7.442  -1.550
  119    HA   GLU  19           HA       GLU  19  -2.418  -5.730  -3.778
  120    HB2  GLU  19           HB2      GLU  19  -4.491  -5.648  -1.597
  121    HB3  GLU  19           HB1      GLU  19  -4.425  -4.481  -2.912
  122    HG2  GLU  19           HG2      GLU  19  -4.841  -7.452  -3.168
  123    HG3  GLU  19           HG1      GLU  19  -6.054  -6.191  -3.399
  124    H    LEU  20           HN       LEU  20  -1.985  -3.558  -3.773
  125    HA   LEU  20           HA       LEU  20  -0.962  -2.388  -1.271
  126    HB2  LEU  20           HB2      LEU  20   0.698  -3.158  -3.161
  127    HB3  LEU  20           HB1      LEU  20   0.161  -1.700  -3.969
  128    HG   LEU  20           HG       LEU  20   1.388  -1.706  -1.208
  129   HD11  LEU  20          HD11      LEU  20   2.702  -1.224  -3.882
  130   HD12  LEU  20          HD12      LEU  20   2.992  -2.595  -2.811
  131   HD13  LEU  20          HD13      LEU  20   3.451  -0.968  -2.305
  132   HD21  LEU  20          HD21      LEU  20   1.001   0.515  -3.219
  133   HD22  LEU  20          HD22      LEU  20   1.736   0.662  -1.623
  134   HD23  LEU  20          HD23      LEU  20   0.023   0.267  -1.772
  135    H    PHE  21           HN       PHE  21  -2.046  -0.548  -0.760
  136    HA   PHE  21           HA       PHE  21  -3.829   0.542  -2.840
  137    HB2  PHE  21           HB2      PHE  21  -4.174   0.774   0.158
  138    HB3  PHE  21           HB1      PHE  21  -5.368   1.134  -1.086
  139    HD1  PHE  21           HD2      PHE  21  -6.039  -0.865  -2.615
  140    HD2  PHE  21           HD1      PHE  21  -4.221  -1.285   1.216
  141    HE1  PHE  21           HE2      PHE  21  -6.909  -3.159  -2.456
  142    HE2  PHE  21           HE1      PHE  21  -5.092  -3.579   1.373
  143    HZ   PHE  21           HZ       PHE  21  -6.417  -4.519  -0.428
  144    H    CYS  22           HN       CYS  22  -1.336   1.548  -2.977
  145    HA   CYS  22           HA       CYS  22  -1.649   4.284  -2.016
  146    HB2  CYS  22           HB2      CYS  22   0.715   2.518  -1.344
  147    HB3  CYS  22           HB1      CYS  22   0.711   4.266  -1.139
  148    H    CYS  23           HN       CYS  23  -0.565   5.807  -3.276
  149    HA   CYS  23           HA       CYS  23   0.349   5.137  -5.868
  150    HB2  CYS  23           HB2      CYS  23   1.145   7.645  -4.373
  151    HB3  CYS  23           HB1      CYS  23   0.915   7.444  -6.110
  152    H    ASP  24           HN       ASP  24   2.710   5.814  -6.567
  153    HA   ASP  24           HA       ASP  24   4.471   4.002  -5.367
  154    HB2  ASP  24           HB2      ASP  24   5.111   6.419  -7.071
  155    HB3  ASP  24           HB1      ASP  24   6.275   5.173  -6.639
  156    H    THR  25           HN       THR  25   4.378   7.534  -5.044
  157    HA   THR  25           HA       THR  25   6.444   7.707  -3.136
  158    HB   THR  25           HB       THR  25   4.144   9.628  -3.519
  159    HG1  THR  25           HG1      THR  25   5.453  10.588  -5.078
  160   HG21  THR  25          HG21      THR  25   6.931  10.029  -2.419
  161   HG22  THR  25          HG22      THR  25   5.434  10.058  -1.488
  162   HG23  THR  25          HG23      THR  25   5.745  11.307  -2.692
  163    H    CYS  26           HN       CYS  26   2.919   7.537  -2.777
  164    HA   CYS  26           HA       CYS  26   2.815   7.788   0.014
  165    HB2  CYS  26           HB2      CYS  26   0.924   6.291  -1.812
  166    HB3  CYS  26           HB1      CYS  26   0.560   6.836  -0.179
  167    H    SER  27           HN       SER  27   3.308   5.015  -2.068
  168    HA   SER  27           HA       SER  27   3.127   3.007  -0.077
  169    HB2  SER  27           HB2      SER  27   2.955   2.486  -2.470
  170    HB3  SER  27           HB1      SER  27   4.619   3.009  -2.718
  171    HG   SER  27           HG       SER  27   5.326   1.186  -1.899
  172    H    ARG  28           HN       ARG  28   5.717   5.091  -1.171
  173    HA   ARG  28           HA       ARG  28   7.791   3.585   0.079
  174    HB2  ARG  28           HB2      ARG  28   7.691   6.362  -1.074
  175    HB3  ARG  28           HB1      ARG  28   9.153   5.659  -0.394
  176    HG2  ARG  28           HG2      ARG  28   9.192   3.946  -2.051
  177    HG3  ARG  28           HG1      ARG  28   7.594   4.404  -2.641
  178    HD2  ARG  28           HD2      ARG  28   9.256   5.251  -4.154
  179    HD3  ARG  28           HD1      ARG  28   8.522   6.604  -3.294
  180    HE   ARG  28           HE       ARG  28  10.895   5.682  -2.007
  181   HH11  ARG  28          HH11      ARG  28   9.730   7.618  -4.684
  182   HH12  ARG  28          HH12      ARG  28  11.144   8.625  -4.732
  183   HH21  ARG  28          HH21      ARG  28  12.752   7.011  -2.065
  184   HH22  ARG  28          HH22      ARG  28  12.861   8.281  -3.247
  185    H    VAL  29           HN       VAL  29   5.755   6.270   1.029
  186    HA   VAL  29           HA       VAL  29   7.343   6.758   3.396
  187    HB   VAL  29           HB       VAL  29   5.706   8.553   3.882
  188   HG11  VAL  29          HG11      VAL  29   6.891   8.570   1.108
  189   HG12  VAL  29          HG12      VAL  29   7.724   9.009   2.601
  190   HG13  VAL  29          HG13      VAL  29   6.381   9.993   2.019
  191   HG21  VAL  29          HG21      VAL  29   4.500   7.753   1.236
  192   HG22  VAL  29          HG22      VAL  29   4.063   9.169   2.192
  193   HG23  VAL  29          HG23      VAL  29   3.744   7.550   2.814
  194    H    PHE  30           HN       PHE  30   4.310   5.170   2.598
  195    HA   PHE  30           HA       PHE  30   4.186   4.225   5.378
  196    HB2  PHE  30           HB2      PHE  30   1.812   5.316   3.846
  197    HB3  PHE  30           HB1      PHE  30   1.711   4.468   5.383
  198    HD1  PHE  30           HD2      PHE  30   3.079   5.517   7.348
  199    HD2  PHE  30           HD1      PHE  30   1.948   7.619   3.821
  200    HE1  PHE  30           HE2      PHE  30   3.360   7.653   8.533
  201    HE2  PHE  30           HE1      PHE  30   2.233   9.757   5.003
  202    HZ   PHE  30           HZ       PHE  30   2.896   9.765   7.381
  203    H    HIS  31           HN       HIS  31   5.261   2.528   3.822
  204    HA   HIS  31           HA       HIS  31   3.579   1.105   2.043
  205    HB2  HIS  31           HB2      HIS  31   6.058   1.093   1.908
  206    HB3  HIS  31           HB1      HIS  31   6.106   0.132   3.381
  207    HD1  HIS  31           HD1      HIS  31   4.707  -0.168  -0.172
  208    HD2  HIS  31           HD2      HIS  31   6.059  -2.521   2.982
  209    HE1  HIS  31           HE1      HIS  31   4.764  -2.555  -1.028
  210    H    GLU  32           HN       GLU  32   4.616   0.390   5.380
  211    HA   GLU  32           HA       GLU  32   3.407  -2.194   5.365
  212    HB2  GLU  32           HB2      GLU  32   5.299  -1.591   6.845
  213    HB3  GLU  32           HB1      GLU  32   4.237  -0.501   7.724
  214    HG2  GLU  32           HG2      GLU  32   2.813  -2.428   8.317
  215    HG3  GLU  32           HG1      GLU  32   3.972  -3.489   7.519
  216    H    ASP  33           HN       ASP  33   2.522   0.948   6.645
  217    HA   ASP  33           HA       ASP  33   0.085   0.213   7.850
  218    HB2  ASP  33           HB2      ASP  33   1.031   2.869   6.754
  219    HB3  ASP  33           HB1      ASP  33  -0.451   2.666   7.680
  220    H    CYS  34           HN       CYS  34   0.997   0.717   4.588
  221    HA   CYS  34           HA       CYS  34  -1.510   1.413   3.483
  222    HB2  CYS  34           HB2      CYS  34   0.799   1.611   2.405
  223    HB3  CYS  34           HB1      CYS  34   0.670  -0.112   2.062
  224    H    HIS  35           HN       HIS  35  -0.109  -1.625   4.458
  225    HA   HIS  35           HA       HIS  35  -2.236  -3.107   3.075
  226    HB2  HIS  35           HB2      HIS  35   0.122  -4.272   4.566
  227    HB3  HIS  35           HB1      HIS  35  -0.941  -5.095   3.433
  228    HD1  HIS  35           HD1      HIS  35  -0.491  -4.636   0.849
  229    HD2  HIS  35           HD2      HIS  35   2.146  -2.789   3.478
  230    HE1  HIS  35           HE1      HIS  35   1.486  -3.868  -0.534
  231    H    ILE  36           HN       ILE  36  -2.020  -1.529   5.842
  232    HA   ILE  36           HA       ILE  36  -3.479  -3.553   7.383
  233    HB   ILE  36           HB       ILE  36  -1.268  -1.827   8.500
  234   HG12  ILE  36          HG12      ILE  36  -1.386  -4.830   8.133
  235   HG13  ILE  36          HG11      ILE  36  -0.455  -3.725   7.128
  236   HG21  ILE  36          HG21      ILE  36  -1.634  -3.070  10.582
  237   HG22  ILE  36          HG22      ILE  36  -2.999  -3.901   9.837
  238   HG23  ILE  36          HG23      ILE  36  -3.066  -2.159  10.101
  239   HD11  ILE  36          HD11      ILE  36  -0.044  -4.197  10.073
  240   HD12  ILE  36          HD12      ILE  36   0.895  -3.101   9.059
  241   HD13  ILE  36          HD13      ILE  36   0.952  -4.840   8.767
  242    HA   PRO  37           HA       PRO  37  -5.189  -3.826   7.693
  243    HB2  PRO  37           HB2      PRO  37  -7.820  -3.589   7.908
  244    HB3  PRO  37           HB1      PRO  37  -6.791  -3.392   9.335
  245    HG2  PRO  37           HG2      PRO  37  -8.138  -1.312   7.658
  246    HG3  PRO  37           HG1      PRO  37  -7.915  -1.365   9.417
  247    HD2  PRO  37           HD2      PRO  37  -6.320   0.053   7.599
  248    HD3  PRO  37           HD1      PRO  37  -5.895  -0.325   9.279
  249    HA   PRO  38           HA       PRO  38  -6.143  -3.493   3.358
  250    HB2  PRO  38           HB2      PRO  38  -6.365  -6.086   2.746
  251    HB3  PRO  38           HB1      PRO  38  -4.813  -5.381   3.221
  252    HG2  PRO  38           HG2      PRO  38  -6.734  -7.007   4.838
  253    HG3  PRO  38           HG1      PRO  38  -4.964  -7.080   4.800
  254    HD2  PRO  38           HD2      PRO  38  -6.443  -5.756   6.732
  255    HD3  PRO  38           HD1      PRO  38  -4.751  -5.394   6.332
  256    H    VAL  39           HN       VAL  39  -8.359  -4.318   5.684
  257    HA   VAL  39           HA       VAL  39 -10.462  -5.295   3.998
  258    HB   VAL  39           HB       VAL  39 -11.917  -5.078   5.939
  259   HG11  VAL  39          HG11      VAL  39 -10.741  -6.611   7.438
  260   HG12  VAL  39          HG12      VAL  39  -9.221  -6.234   6.630
  261   HG13  VAL  39          HG13      VAL  39 -10.510  -7.051   5.747
  262   HG21  VAL  39          HG21      VAL  39 -11.123  -3.005   6.876
  263   HG22  VAL  39          HG22      VAL  39  -9.559  -3.727   7.236
  264   HG23  VAL  39          HG23      VAL  39 -10.997  -4.274   8.094
  265    H    GLU  40           HN       GLU  40 -12.413  -4.207   3.517
  266    HA   GLU  40           HA       GLU  40 -13.547  -2.529   2.504
  267    HB2  GLU  40           HB2      GLU  40 -13.475  -1.727   4.965
  268    HB3  GLU  40           HB1      GLU  40 -12.263  -0.581   4.409
  269    HG2  GLU  40           HG2      GLU  40 -14.403   0.494   4.432
  270    HG3  GLU  40           HG1      GLU  40 -13.892   0.278   2.758
  271    H    ALA  41           HN       ALA  41 -10.850  -3.228   1.662
  272    HA   ALA  41           HA       ALA  41 -10.264  -0.817   0.113
  273    HB1  ALA  41           HB1      ALA  41  -8.152  -2.386   1.590
  274    HB2  ALA  41           HB2      ALA  41  -8.729  -0.773   2.015
  275    HB3  ALA  41           HB3      ALA  41  -7.867  -1.031   0.497
  276    H    GLU  42           HN       GLU  42 -10.102  -4.274   0.522
  277    HA   GLU  42           HA       GLU  42  -8.921  -4.756  -2.074
  278    HB2  GLU  42           HB2      GLU  42 -10.263  -6.655  -0.132
  279    HB3  GLU  42           HB1      GLU  42  -9.393  -7.135  -1.579
  280    HG2  GLU  42           HG2      GLU  42  -7.331  -6.250  -0.666
  281    HG3  GLU  42           HG1      GLU  42  -8.185  -5.694   0.772
  282    H    ARG  43           HN       ARG  43 -10.835  -3.164  -2.737
  283    HA   ARG  43           HA       ARG  43 -13.211  -4.791  -3.360
  284    HB2  ARG  43           HB2      ARG  43 -13.087  -1.782  -3.136
  285    HB3  ARG  43           HB1      ARG  43 -14.527  -2.762  -3.362
  286    HG2  ARG  43           HG2      ARG  43 -14.034  -3.831  -1.146
  287    HG3  ARG  43           HG1      ARG  43 -12.777  -2.614  -0.922
  288    HD2  ARG  43           HD2      ARG  43 -15.735  -2.150  -1.256
  289    HD3  ARG  43           HD1      ARG  43 -14.770  -1.883   0.195
  290    HE   ARG  43           HE       ARG  43 -13.879  -0.349  -2.064
  291   HH11  ARG  43          HH11      ARG  43 -15.991  -0.432   0.728
  292   HH12  ARG  43          HH12      ARG  43 -16.290   1.281   0.698
  293   HH21  ARG  43          HH21      ARG  43 -14.262   1.909  -2.077
  294   HH22  ARG  43          HH22      ARG  43 -15.302   2.604  -0.875
  295    H    THR  44           HN       THR  44 -10.546  -4.022  -4.787
  296    HA   THR  44           HA       THR  44  -9.754  -3.765  -6.865
  297    HB   THR  44           HB       THR  44 -11.306  -4.445  -8.803
  298    HG1  THR  44           HG1      THR  44 -13.159  -4.241  -7.002
  299   HG21  THR  44          HG21      THR  44  -9.630  -5.940  -7.923
  300   HG22  THR  44          HG22      THR  44 -11.119  -6.841  -8.205
  301   HG23  THR  44          HG23      THR  44 -10.671  -6.366  -6.567
  302    HA   PRO  45           HA       PRO  45  -9.253  -3.608  -8.806
  303    HB2  PRO  45           HB2      PRO  45  -8.092  -2.175 -10.739
  304    HB3  PRO  45           HB1      PRO  45  -9.691  -2.896 -10.973
  305    HG2  PRO  45           HG2      PRO  45  -8.949  -0.064 -10.410
  306    HG3  PRO  45           HG1      PRO  45 -10.254  -0.706 -11.427
  307    HD2  PRO  45           HD2      PRO  45 -10.522   0.239  -8.789
  308    HD3  PRO  45           HD1      PRO  45 -11.715  -0.729  -9.677
  309    H    TRP  46           HN       TRP  46  -8.695  -0.208  -8.090
  310    HA   TRP  46           HA       TRP  46  -6.480  -0.738  -6.384
  311    HB2  TRP  46           HB2      TRP  46  -5.360  -0.927  -8.611
  312    HB3  TRP  46           HB1      TRP  46  -5.898   0.703  -8.993
  313    HD1  TRP  46           HD1      TRP  46  -3.419  -1.172  -6.747
  314    HE1  TRP  46           HE1      TRP  46  -1.604   0.477  -5.973
  315    HE3  TRP  46           HE3      TRP  46  -5.422   3.160  -8.589
  316    HZ2  TRP  46           HZ2      TRP  46  -1.088   3.251  -6.126
  317    HZ3  TRP  46           HZ3      TRP  46  -4.203   5.267  -8.231
  318    HH2  TRP  46           HH2      TRP  46  -2.083   5.311  -7.027
  319    H    ASN  47           HN       ASN  47  -5.956   1.120  -5.143
  320    HA   ASN  47           HA       ASN  47  -7.034   3.699  -5.679
  321    HB2  ASN  47           HB2      ASN  47  -9.142   2.593  -5.097
  322    HB3  ASN  47           HB1      ASN  47  -8.429   1.969  -3.617
  323   HD21  ASN  47          HD21      ASN  47  -9.809   2.918  -2.221
  324   HD22  ASN  47          HD22      ASN  47  -9.923   4.631  -1.990
  325    H    CYS  48           HN       CYS  48  -6.184   5.222  -4.225
  326    HA   CYS  48           HA       CYS  48  -4.325   4.123  -2.229
  327    HB2  CYS  48           HB2      CYS  48  -3.351   5.647  -3.922
  328    HB3  CYS  48           HB1      CYS  48  -4.450   6.912  -3.395
  329    H    ILE  49           HN       ILE  49  -5.402   3.853  -0.396
  330    HA   ILE  49           HA       ILE  49  -7.712   5.229   0.368
  331    HB   ILE  49           HB       ILE  49  -7.270   4.299   2.672
  332   HG12  ILE  49          HG12      ILE  49  -4.860   3.097   1.283
  333   HG13  ILE  49          HG11      ILE  49  -4.827   4.260   2.600
  334   HG21  ILE  49          HG21      ILE  49  -8.651   3.093   1.127
  335   HG22  ILE  49          HG22      ILE  49  -7.607   1.943   1.961
  336   HG23  ILE  49          HG23      ILE  49  -7.240   2.429   0.307
  337   HD11  ILE  49          HD11      ILE  49  -5.856   2.609   4.075
  338   HD12  ILE  49          HD12      ILE  49  -4.338   2.025   3.392
  339   HD13  ILE  49          HD13      ILE  49  -5.875   1.444   2.749
  340    H    PHE  50           HN       PHE  50  -4.329   5.898   1.076
  341    HA   PHE  50           HA       PHE  50  -4.905   7.808   3.112
  342    HB2  PHE  50           HB2      PHE  50  -2.376   7.411   1.498
  343    HB3  PHE  50           HB1      PHE  50  -2.518   8.460   2.904
  344    HD1  PHE  50           HD1      PHE  50  -3.374   7.299   5.090
  345    HD2  PHE  50           HD2      PHE  50  -1.666   5.233   1.781
  346    HE1  PHE  50           HE1      PHE  50  -2.830   5.407   6.559
  347    HE2  PHE  50           HE2      PHE  50  -1.123   3.337   3.245
  348    HZ   PHE  50           HZ       PHE  50  -1.706   3.418   5.636
  349    H    CYS  51           HN       CYS  51  -4.401   8.035  -0.374
  350    HA   CYS  51           HA       CYS  51  -4.311  10.873  -0.427
  351    HB2  CYS  51           HB2      CYS  51  -4.627   8.747  -2.489
  352    HB3  CYS  51           HB1      CYS  51  -5.156  10.369  -2.914
  353    H    ARG  52           HN       ARG  52  -6.927   8.584  -0.255
  354    HA   ARG  52           HA       ARG  52  -8.909  10.568  -0.963
  355    HB2  ARG  52           HB2      ARG  52  -9.320   7.856   0.300
  356    HB3  ARG  52           HB1      ARG  52 -10.567   8.877  -0.399
  357    HG2  ARG  52           HG2      ARG  52  -9.152   8.679  -2.566
  358    HG3  ARG  52           HG1      ARG  52  -8.449   7.275  -1.758
  359    HD2  ARG  52           HD2      ARG  52 -11.316   7.749  -2.521
  360    HD3  ARG  52           HD1      ARG  52 -10.248   6.452  -3.048
  361    HE   ARG  52           HE       ARG  52 -10.412   6.140  -0.337
  362   HH11  ARG  52          HH11      ARG  52 -12.707   6.259  -2.969
  363   HH12  ARG  52          HH12      ARG  52 -13.892   5.291  -2.155
  364   HH21  ARG  52          HH21      ARG  52 -11.976   4.855   0.745
  365   HH22  ARG  52          HH22      ARG  52 -13.481   4.502  -0.042
  366    H    MET  53           HN       MET  53  -7.592   9.108   1.946
  367    HA   MET  53           HA       MET  53  -9.370  10.402   3.758
  368    HB2  MET  53           HB2      MET  53  -6.642   9.157   4.143
  369    HB3  MET  53           HB1      MET  53  -7.576   9.840   5.463
  370    HG2  MET  53           HG2      MET  53  -8.519   7.600   3.690
  371    HG3  MET  53           HG1      MET  53  -7.759   7.384   5.266
  372    HE1  MET  53           HE1      MET  53  -9.823   5.927   6.053
  373    HE2  MET  53           HE2      MET  53 -10.608   6.150   4.490
  374    HE3  MET  53           HE3      MET  53 -11.498   6.474   5.976
  375    H    LYS  54           HN       LYS  54  -6.240  11.174   2.390
  376    HA   LYS  54           HA       LYS  54  -6.402  13.843   3.625
  377    HB2  LYS  54           HB2      LYS  54  -4.507  12.435   4.449
  378    HB3  LYS  54           HB1      LYS  54  -3.900  12.360   2.800
  379    HG2  LYS  54           HG2      LYS  54  -3.864  14.910   2.881
  380    HG3  LYS  54           HG1      LYS  54  -4.058  14.732   4.624
  381    HD2  LYS  54           HD2      LYS  54  -1.722  14.942   4.158
  382    HD3  LYS  54           HD1      LYS  54  -2.032  13.267   4.621
  383    HE2  LYS  54           HE2      LYS  54  -0.519  13.446   2.678
  384    HE3  LYS  54           HE1      LYS  54  -2.006  12.582   2.297
  385    HZ1  LYS  54           HZ1      LYS  54  -2.874  14.569   1.260
  386    HZ2  LYS  54           HZ2      LYS  54  -1.384  14.171   0.566
  387    HZ3  LYS  54           HZ3      LYS  54  -1.485  15.440   1.678
  388    H    GLU  55           HN       GLU  55  -7.771  14.163   1.614
  389    HA   GLU  55           HA       GLU  55  -6.374  14.223  -0.891
  390    HB2  GLU  55           HB2      GLU  55  -8.450  15.372  -1.726
  391    HB3  GLU  55           HB1      GLU  55  -8.703  13.777  -1.035
  392    HG2  GLU  55           HG2      GLU  55  -9.536  14.749   1.005
  393    HG3  GLU  55           HG1      GLU  55  -9.180  16.370   0.411
  394    H    SER  56           HN       SER  56  -4.749  15.598  -1.023
  395    HA   SER  56           HA       SER  56  -5.217  18.391  -0.227
  396    HB2  SER  56           HB2      SER  56  -2.526  17.026  -0.453
  397    HB3  SER  56           HB1      SER  56  -2.886  18.585   0.289
  398    HG   SER  56           HG       SER  56  -4.224  17.349   1.806
  Start of MODEL   19
    1    H1   GLY   1           HT1      GLY   1  12.004   3.652 -13.670
    2    H2   GLY   1           HT2      GLY   1  10.917   2.401 -13.988
    3    H3   GLY   1           HT3      GLY   1  12.139   2.762 -15.097
    4    HA2  GLY   1           HA1      GLY   1  12.551   1.710 -12.357
    5    HA3  GLY   1           HA2      GLY   1  12.679   0.773 -13.839
    6    H    ALA   2           HN       ALA   2  14.824   0.569 -12.457
    7    HA   ALA   2           HA       ALA   2  17.075   0.840 -12.401
    8    HB1  ALA   2           HB1      ALA   2  18.180   1.577 -14.436
    9    HB2  ALA   2           HB2      ALA   2  16.663   2.244 -15.040
   10    HB3  ALA   2           HB3      ALA   2  16.835   0.503 -14.821
   11    H    MET   3           HN       MET   3  15.668   2.701 -10.903
   12    HA   MET   3           HA       MET   3  17.536   4.955 -10.983
   13    HB2  MET   3           HB2      MET   3  15.519   5.722 -12.164
   14    HB3  MET   3           HB1      MET   3  14.534   5.275 -10.779
   15    HG2  MET   3           HG2      MET   3  15.723   6.931  -9.412
   16    HG3  MET   3           HG1      MET   3  16.675   7.393 -10.822
   17    HE1  MET   3           HE1      MET   3  14.551   7.306 -13.180
   18    HE2  MET   3           HE2      MET   3  15.712   8.610 -12.935
   19    HE3  MET   3           HE3      MET   3  14.004   8.984 -13.174
   20    H    GLY   4           HN       GLY   4  14.709   3.721  -9.202
   21    HA2  GLY   4           HA2      GLY   4  16.196   4.215  -6.704
   22    HA3  GLY   4           HA1      GLY   4  14.444   4.141  -6.831
   23    H    MET   5           HN       MET   5  16.556   2.594  -5.267
   24    HA   MET   5           HA       MET   5  15.892  -0.107  -6.212
   25    HB2  MET   5           HB2      MET   5  18.068   0.829  -4.328
   26    HB3  MET   5           HB1      MET   5  17.763  -0.850  -4.753
   27    HG2  MET   5           HG2      MET   5  18.335  -0.439  -7.041
   28    HG3  MET   5           HG1      MET   5  18.463   1.292  -6.744
   29    HE1  MET   5           HE1      MET   5  20.851   1.359  -7.887
   30    HE2  MET   5           HE2      MET   5  20.716  -0.366  -8.225
   31    HE3  MET   5           HE3      MET   5  22.172   0.272  -7.458
   32    H    ARG   6           HN       ARG   6  13.741   0.568  -5.277
   33    HA   ARG   6           HA       ARG   6  13.572   0.511  -2.383
   34    HB2  ARG   6           HB2      ARG   6  11.498   0.839  -4.549
   35    HB3  ARG   6           HB1      ARG   6  11.095   0.757  -2.841
   36    HG2  ARG   6           HG2      ARG   6  12.995   2.788  -3.967
   37    HG3  ARG   6           HG1      ARG   6  11.255   3.059  -3.843
   38    HD2  ARG   6           HD2      ARG   6  11.344   2.766  -1.448
   39    HD3  ARG   6           HD1      ARG   6  13.054   2.356  -1.527
   40    HE   ARG   6           HE       ARG   6  13.048   4.787  -2.624
   41   HH11  ARG   6          HH11      ARG   6  11.503   3.598   0.292
   42   HH12  ARG   6          HH12      ARG   6  11.639   5.113   1.129
   43   HH21  ARG   6          HH21      ARG   6  13.218   6.774  -1.524
   44   HH22  ARG   6          HH22      ARG   6  12.600   6.924   0.090
   45    H    ASN   7           HN       ASN   7  14.084  -1.514  -1.721
   46    HA   ASN   7           HA       ASN   7  12.464  -3.726  -2.764
   47    HB2  ASN   7           HB2      ASN   7  14.927  -4.060  -2.688
   48    HB3  ASN   7           HB1      ASN   7  14.876  -3.841  -0.941
   49   HD21  ASN   7          HD21      ASN   7  13.907  -5.913  -3.593
   50   HD22  ASN   7          HD22      ASN   7  13.640  -7.333  -2.639
   51    H    LEU   8           HN       LEU   8  10.680  -4.150  -1.713
   52    HA   LEU   8           HA       LEU   8  10.373  -3.235   1.034
   53    HB2  LEU   8           HB2      LEU   8   8.357  -4.366  -0.908
   54    HB3  LEU   8           HB1      LEU   8   7.980  -3.809   0.706
   55    HG   LEU   8           HG       LEU   8   7.307  -2.068  -0.715
   56   HD11  LEU   8          HD11      LEU   8   8.575  -1.289   1.211
   57   HD12  LEU   8          HD12      LEU   8   8.750  -0.203  -0.167
   58   HD13  LEU   8          HD13      LEU   8  10.053  -1.314   0.251
   59   HD21  LEU   8          HD21      LEU   8   8.384  -2.786  -2.759
   60   HD22  LEU   8          HD22      LEU   8   9.955  -2.291  -2.129
   61   HD23  LEU   8          HD23      LEU   8   8.715  -1.080  -2.455
   62    H    ASP   9           HN       ASP   9  11.813  -4.778   1.866
   63    HA   ASP   9           HA       ASP   9  11.361  -7.597   1.500
   64    HB2  ASP   9           HB2      ASP   9  13.293  -7.885   2.965
   65    HB3  ASP   9           HB1      ASP   9  13.640  -6.658   1.752
   66    H    GLU  10           HN       GLU  10  10.894  -5.232   4.029
   67    HA   GLU  10           HA       GLU  10  10.252  -7.009   6.098
   68    HB2  GLU  10           HB2      GLU  10   9.367  -5.014   7.255
   69    HB3  GLU  10           HB1      GLU  10  10.961  -4.754   6.564
   70    HG2  GLU  10           HG2      GLU  10   9.903  -3.609   4.648
   71    HG3  GLU  10           HG1      GLU  10   8.339  -3.798   5.441
   72    H    CYS  11           HN       CYS  11   8.326  -5.750   3.519
   73    HA   CYS  11           HA       CYS  11   5.805  -6.230   4.777
   74    HB2  CYS  11           HB2      CYS  11   6.243  -4.532   2.993
   75    HB3  CYS  11           HB1      CYS  11   6.405  -5.851   1.848
   76    H    GLU  12           HN       GLU  12   5.510  -8.284   5.365
   77    HA   GLU  12           HA       GLU  12   6.334 -10.570   3.938
   78    HB2  GLU  12           HB2      GLU  12   5.856 -10.563   6.346
   79    HB3  GLU  12           HB1      GLU  12   4.162 -10.245   6.011
   80    HG2  GLU  12           HG2      GLU  12   4.031 -12.411   4.829
   81    HG3  GLU  12           HG1      GLU  12   5.697 -12.734   5.310
   82    H    VAL  13           HN       VAL  13   3.365  -8.722   3.982
   83    HA   VAL  13           HA       VAL  13   1.763 -10.646   2.684
   84    HB   VAL  13           HB       VAL  13   0.816  -8.864   4.063
   85   HG11  VAL  13          HG11      VAL  13   1.517  -7.001   1.810
   86   HG12  VAL  13          HG12      VAL  13   2.332  -7.064   3.371
   87   HG13  VAL  13          HG13      VAL  13   0.636  -6.599   3.283
   88   HG21  VAL  13          HG21      VAL  13  -1.055  -8.250   2.587
   89   HG22  VAL  13          HG22      VAL  13  -0.633  -9.959   2.476
   90   HG23  VAL  13          HG23      VAL  13  -0.129  -8.841   1.212
   91    H    CYS  14           HN       CYS  14   3.764  -8.014   1.422
   92    HA   CYS  14           HA       CYS  14   2.816  -8.143  -1.234
   93    HB2  CYS  14           HB2      CYS  14   5.183  -6.999   0.103
   94    HB3  CYS  14           HB1      CYS  14   5.372  -7.364  -1.608
   95    H    ARG  15           HN       ARG  15   5.166 -10.025   0.524
   96    HA   ARG  15           HA       ARG  15   6.332 -11.354  -1.675
   97    HB2  ARG  15           HB2      ARG  15   5.942 -12.352   1.145
   98    HB3  ARG  15           HB1      ARG  15   7.028 -13.054  -0.044
   99    HG2  ARG  15           HG2      ARG  15   8.295 -10.938  -0.082
  100    HG3  ARG  15           HG1      ARG  15   7.239 -10.319   1.191
  101    HD2  ARG  15           HD2      ARG  15   7.918 -12.206   2.624
  102    HD3  ARG  15           HD1      ARG  15   9.018 -12.744   1.362
  103    HE   ARG  15           HE       ARG  15   9.295 -10.208   2.852
  104   HH11  ARG  15          HH11      ARG  15  10.678 -12.848   1.009
  105   HH12  ARG  15          HH12      ARG  15  12.313 -12.416   1.377
  106   HH21  ARG  15          HH21      ARG  15  11.446  -9.648   3.351
  107   HH22  ARG  15          HH22      ARG  15  12.753 -10.585   2.696
  108    H    ASP  16           HN       ASP  16   3.480 -11.930   0.249
  109    HA   ASP  16           HA       ASP  16   2.857 -14.474  -0.893
  110    HB2  ASP  16           HB2      ASP  16   2.094 -13.737   1.361
  111    HB3  ASP  16           HB1      ASP  16   1.049 -12.551   0.593
  112    H    GLY  17           HN       GLY  17   2.620 -11.316  -2.016
  113    HA2  GLY  17           HA2      GLY  17   1.940 -10.787  -4.221
  114    HA3  GLY  17           HA1      GLY  17   0.864 -12.176  -4.196
  115    H    GLY  18           HN       GLY  18   0.902 -10.104  -1.446
  116    HA2  GLY  18           HA2      GLY  18  -1.832  -9.481  -1.611
  117    HA3  GLY  18           HA1      GLY  18  -0.668  -8.692  -0.564
  118    H    GLU  19           HN       GLU  19  -2.841  -7.417  -1.829
  119    HA   GLU  19           HA       GLU  19  -1.815  -6.034  -4.153
  120    HB2  GLU  19           HB2      GLU  19  -4.398  -5.746  -2.622
  121    HB3  GLU  19           HB1      GLU  19  -4.022  -4.915  -4.125
  122    HG2  GLU  19           HG2      GLU  19  -3.969  -6.963  -5.334
  123    HG3  GLU  19           HG1      GLU  19  -4.067  -7.904  -3.846
  124    H    LEU  20           HN       LEU  20  -1.804  -3.701  -4.282
  125    HA   LEU  20           HA       LEU  20  -1.037  -2.442  -1.725
  126    HB2  LEU  20           HB2      LEU  20   0.799  -3.021  -3.427
  127    HB3  LEU  20           HB1      LEU  20   0.114  -1.756  -4.425
  128    HG   LEU  20           HG       LEU  20   1.054  -1.205  -1.614
  129   HD11  LEU  20          HD11      LEU  20   3.191  -0.517  -2.516
  130   HD12  LEU  20          HD12      LEU  20   2.688  -0.976  -4.143
  131   HD13  LEU  20          HD13      LEU  20   2.904  -2.215  -2.907
  132   HD21  LEU  20          HD21      LEU  20   0.789   0.571  -4.044
  133   HD22  LEU  20          HD22      LEU  20   1.236   1.071  -2.413
  134   HD23  LEU  20          HD23      LEU  20  -0.387   0.464  -2.732
  135    H    PHE  21           HN       PHE  21  -2.164  -0.627  -1.224
  136    HA   PHE  21           HA       PHE  21  -3.844   0.519  -3.359
  137    HB2  PHE  21           HB2      PHE  21  -4.592   0.072  -0.461
  138    HB3  PHE  21           HB1      PHE  21  -5.603   0.889  -1.654
  139    HD1  PHE  21           HD2      PHE  21  -6.399  -0.410  -3.663
  140    HD2  PHE  21           HD1      PHE  21  -4.570  -2.273  -0.297
  141    HE1  PHE  21           HE2      PHE  21  -7.358  -2.568  -4.337
  142    HE2  PHE  21           HE1      PHE  21  -5.532  -4.432  -0.971
  143    HZ   PHE  21           HZ       PHE  21  -6.863  -4.593  -3.043
  144    H    CYS  22           HN       CYS  22  -1.511   1.734  -3.085
  145    HA   CYS  22           HA       CYS  22  -2.439   4.358  -2.425
  146    HB2  CYS  22           HB2      CYS  22  -0.608   4.965  -0.918
  147    HB3  CYS  22           HB1      CYS  22  -1.581   3.668  -0.234
  148    H    CYS  23           HN       CYS  23  -0.636   6.003  -2.999
  149    HA   CYS  23           HA       CYS  23   0.255   5.347  -5.637
  150    HB2  CYS  23           HB2      CYS  23   1.139   7.784  -4.102
  151    HB3  CYS  23           HB1      CYS  23   0.877   7.617  -5.836
  152    H    ASP  24           HN       ASP  24   2.576   5.640  -6.318
  153    HA   ASP  24           HA       ASP  24   4.271   3.958  -4.883
  154    HB2  ASP  24           HB2      ASP  24   4.916   6.062  -6.948
  155    HB3  ASP  24           HB1      ASP  24   6.109   4.941  -6.306
  156    H    THR  25           HN       THR  25   4.222   7.506  -4.993
  157    HA   THR  25           HA       THR  25   6.336   7.980  -3.229
  158    HB   THR  25           HB       THR  25   3.869   9.699  -3.475
  159    HG1  THR  25           HG1      THR  25   5.989  10.326  -5.102
  160   HG21  THR  25          HG21      THR  25   6.768  10.360  -2.943
  161   HG22  THR  25          HG22      THR  25   5.464  10.386  -1.755
  162   HG23  THR  25          HG23      THR  25   5.458  11.532  -3.097
  163    H    CYS  26           HN       CYS  26   2.871   7.602  -2.613
  164    HA   CYS  26           HA       CYS  26   2.984   8.023   0.173
  165    HB2  CYS  26           HB2      CYS  26   0.934   6.508  -1.459
  166    HB3  CYS  26           HB1      CYS  26   0.696   7.138   0.173
  167    H    SER  27           HN       SER  27   3.406   5.177  -1.824
  168    HA   SER  27           HA       SER  27   3.303   3.252   0.257
  169    HB2  SER  27           HB2      SER  27   3.011   2.719  -2.145
  170    HB3  SER  27           HB1      SER  27   4.701   3.127  -2.429
  171    HG   SER  27           HG       SER  27   5.023   1.095  -2.008
  172    H    ARG  28           HN       ARG  28   5.832   5.244  -1.125
  173    HA   ARG  28           HA       ARG  28   8.046   3.933  -0.019
  174    HB2  ARG  28           HB2      ARG  28   7.566   6.737  -0.957
  175    HB3  ARG  28           HB1      ARG  28   9.117   6.259  -0.280
  176    HG2  ARG  28           HG2      ARG  28   9.538   4.751  -2.024
  177    HG3  ARG  28           HG1      ARG  28   7.855   4.764  -2.555
  178    HD2  ARG  28           HD2      ARG  28   9.405   6.055  -4.020
  179    HD3  ARG  28           HD1      ARG  28   8.062   6.995  -3.377
  180    HE   ARG  28           HE       ARG  28   9.999   7.495  -1.588
  181   HH11  ARG  28          HH11      ARG  28   9.975   7.590  -5.084
  182   HH12  ARG  28          HH12      ARG  28  11.147   8.865  -5.183
  183   HH21  ARG  28          HH21      ARG  28  11.514   9.191  -1.707
  184   HH22  ARG  28          HH22      ARG  28  12.018   9.783  -3.261
  185    H    VAL  29           HN       VAL  29   5.778   6.166   1.390
  186    HA   VAL  29           HA       VAL  29   7.511   6.471   3.720
  187    HB   VAL  29           HB       VAL  29   5.857   8.223   4.445
  188   HG11  VAL  29          HG11      VAL  29   7.975   8.797   3.402
  189   HG12  VAL  29          HG12      VAL  29   6.705   9.895   2.856
  190   HG13  VAL  29          HG13      VAL  29   7.261   8.593   1.801
  191   HG21  VAL  29          HG21      VAL  29   3.946   7.487   3.114
  192   HG22  VAL  29          HG22      VAL  29   4.831   7.853   1.633
  193   HG23  VAL  29          HG23      VAL  29   4.378   9.154   2.733
  194    H    PHE  30           HN       PHE  30   4.414   5.071   2.815
  195    HA   PHE  30           HA       PHE  30   4.264   3.917   5.510
  196    HB2  PHE  30           HB2      PHE  30   1.923   5.236   4.120
  197    HB3  PHE  30           HB1      PHE  30   1.831   4.329   5.624
  198    HD1  PHE  30           HD2      PHE  30   3.456   5.223   7.526
  199    HD2  PHE  30           HD1      PHE  30   2.054   7.527   4.229
  200    HE1  PHE  30           HE2      PHE  30   3.884   7.289   8.790
  201    HE2  PHE  30           HE1      PHE  30   2.477   9.593   5.494
  202    HZ   PHE  30           HZ       PHE  30   3.395   9.474   7.771
  203    H    HIS  31           HN       HIS  31   5.198   2.496   3.452
  204    HA   HIS  31           HA       HIS  31   3.441   1.217   1.730
  205    HB2  HIS  31           HB2      HIS  31   5.882   1.109   1.542
  206    HB3  HIS  31           HB1      HIS  31   5.953   0.118   2.990
  207    HD1  HIS  31           HD1      HIS  31   4.348  -0.117  -0.482
  208    HD2  HIS  31           HD2      HIS  31   6.090  -2.489   2.455
  209    HE1  HIS  31           HE1      HIS  31   4.453  -2.470  -1.424
  210    H    GLU  32           HN       GLU  32   4.397   0.261   5.003
  211    HA   GLU  32           HA       GLU  32   3.264  -2.314   4.939
  212    HB2  GLU  32           HB2      GLU  32   3.562  -0.580   7.395
  213    HB3  GLU  32           HB1      GLU  32   3.500  -2.333   7.340
  214    HG2  GLU  32           HG2      GLU  32   5.747  -1.860   7.689
  215    HG3  GLU  32           HG1      GLU  32   5.655  -2.173   5.958
  216    H    ASP  33           HN       ASP  33   2.047   0.754   6.125
  217    HA   ASP  33           HA       ASP  33  -0.487  -0.175   6.969
  218    HB2  ASP  33           HB2      ASP  33   0.593   1.911   7.755
  219    HB3  ASP  33           HB1      ASP  33   0.339   2.613   6.168
  220    H    CYS  34           HN       CYS  34   0.776   0.714   3.879
  221    HA   CYS  34           HA       CYS  34  -1.606   1.366   2.517
  222    HB2  CYS  34           HB2      CYS  34   1.071   0.327   1.620
  223    HB3  CYS  34           HB1      CYS  34  -0.240   0.558   0.469
  224    H    HIS  35           HN       HIS  35  -0.696  -1.585   3.859
  225    HA   HIS  35           HA       HIS  35  -2.363  -3.088   1.941
  226    HB2  HIS  35           HB2      HIS  35  -0.245  -4.153   3.821
  227    HB3  HIS  35           HB1      HIS  35  -1.182  -5.106   2.675
  228    HD1  HIS  35           HD1      HIS  35  -0.417  -5.033   0.187
  229    HD2  HIS  35           HD2      HIS  35   1.755  -2.559   2.718
  230    HE1  HIS  35           HE1      HIS  35   1.631  -4.307  -1.109
  231    H    ILE  36           HN       ILE  36  -2.799  -1.551   4.697
  232    HA   ILE  36           HA       ILE  36  -4.242  -3.759   6.009
  233    HB   ILE  36           HB       ILE  36  -2.650  -1.607   7.400
  234   HG12  ILE  36          HG12      ILE  36  -2.131  -4.581   7.169
  235   HG13  ILE  36          HG11      ILE  36  -1.235  -3.324   6.325
  236   HG21  ILE  36          HG21      ILE  36  -4.146  -3.963   8.539
  237   HG22  ILE  36          HG22      ILE  36  -4.648  -2.276   8.643
  238   HG23  ILE  36          HG23      ILE  36  -3.175  -2.811   9.453
  239   HD11  ILE  36          HD11      ILE  36  -0.009  -4.149   8.255
  240   HD12  ILE  36          HD12      ILE  36  -1.351  -3.705   9.309
  241   HD13  ILE  36          HD13      ILE  36  -0.444  -2.451   8.463
  242    HA   PRO  37           HA       PRO  37  -5.853  -4.265   5.477
  243    HB2  PRO  37           HB2      PRO  37  -8.641  -4.234   5.168
  244    HB3  PRO  37           HB1      PRO  37  -7.763  -4.789   6.596
  245    HG2  PRO  37           HG2      PRO  37  -9.461  -2.549   6.434
  246    HG3  PRO  37           HG1      PRO  37  -8.365  -2.944   7.768
  247    HD2  PRO  37           HD2      PRO  37  -7.978  -1.045   5.497
  248    HD3  PRO  37           HD1      PRO  37  -7.400  -0.934   7.174
  249    HA   PRO  38           HA       PRO  38  -6.008  -3.810   1.135
  250    HB2  PRO  38           HB2      PRO  38  -7.730  -6.180   0.790
  251    HB3  PRO  38           HB1      PRO  38  -6.086  -5.888   0.221
  252    HG2  PRO  38           HG2      PRO  38  -6.585  -7.578   2.241
  253    HG3  PRO  38           HG1      PRO  38  -5.129  -6.564   2.207
  254    HD2  PRO  38           HD2      PRO  38  -7.659  -6.196   3.772
  255    HD3  PRO  38           HD1      PRO  38  -5.975  -5.915   4.268
  256    H    VAL  39           HN       VAL  39  -9.153  -5.422   1.209
  257    HA   VAL  39           HA       VAL  39 -10.361  -2.940   0.193
  258    HB   VAL  39           HB       VAL  39 -11.758  -4.421  -1.330
  259   HG11  VAL  39          HG11      VAL  39 -10.010  -4.524  -3.065
  260   HG12  VAL  39          HG12      VAL  39  -8.794  -4.189  -1.832
  261   HG13  VAL  39          HG13      VAL  39 -10.025  -2.982  -2.210
  262   HG21  VAL  39          HG21      VAL  39  -9.551  -6.386  -0.734
  263   HG22  VAL  39          HG22      VAL  39 -10.782  -6.566  -1.985
  264   HG23  VAL  39          HG23      VAL  39 -11.246  -6.563  -0.282
  265    H    GLU  40           HN       GLU  40 -10.602  -3.563   2.800
  266    HA   GLU  40           HA       GLU  40 -13.085  -5.023   3.187
  267    HB2  GLU  40           HB2      GLU  40 -11.279  -3.642   5.182
  268    HB3  GLU  40           HB1      GLU  40 -12.676  -4.627   5.593
  269    HG2  GLU  40           HG2      GLU  40 -10.233  -5.606   4.133
  270    HG3  GLU  40           HG1      GLU  40 -10.554  -5.828   5.852
  271    H    ALA  41           HN       ALA  41 -12.456  -2.077   2.092
  272    HA   ALA  41           HA       ALA  41 -14.960  -0.994   3.093
  273    HB1  ALA  41           HB1      ALA  41 -13.982   1.127   3.785
  274    HB2  ALA  41           HB2      ALA  41 -12.369   0.513   3.422
  275    HB3  ALA  41           HB3      ALA  41 -13.315  -0.209   4.723
  276    H    GLU  42           HN       GLU  42 -14.418  -1.921   0.551
  277    HA   GLU  42           HA       GLU  42 -14.693  -1.360  -1.638
  278    HB2  GLU  42           HB2      GLU  42 -15.614   1.245  -0.416
  279    HB3  GLU  42           HB1      GLU  42 -15.839   0.797  -2.101
  280    HG2  GLU  42           HG2      GLU  42 -16.939  -0.759   0.227
  281    HG3  GLU  42           HG1      GLU  42 -17.839   0.460  -0.675
  282    H    ARG  43           HN       ARG  43 -12.353  -1.478  -1.922
  283    HA   ARG  43           HA       ARG  43 -11.177   1.156  -2.476
  284    HB2  ARG  43           HB2      ARG  43  -9.845  -1.055  -0.903
  285    HB3  ARG  43           HB1      ARG  43  -9.019   0.377  -1.504
  286    HG2  ARG  43           HG2      ARG  43 -10.405   1.801  -0.132
  287    HG3  ARG  43           HG1      ARG  43 -11.338   0.408   0.414
  288    HD2  ARG  43           HD2      ARG  43  -9.334  -0.521   1.464
  289    HD3  ARG  43           HD1      ARG  43  -8.398   0.868   0.908
  290    HE   ARG  43           HE       ARG  43 -10.585   1.815   2.370
  291   HH11  ARG  43          HH11      ARG  43  -7.644  -0.012   2.930
  292   HH12  ARG  43          HH12      ARG  43  -7.447   0.572   4.552
  293   HH21  ARG  43          HH21      ARG  43 -10.340   2.555   4.513
  294   HH22  ARG  43          HH22      ARG  43  -8.987   2.011   5.455
  295    H    THR  44           HN       THR  44 -12.268  -0.547  -4.377
  296    HA   THR  44           HA       THR  44  -9.851  -1.582  -5.715
  297    HB   THR  44           HB       THR  44 -11.434  -3.388  -5.101
  298    HG1  THR  44           HG1      THR  44 -11.813  -3.493  -7.800
  299   HG21  THR  44          HG21      THR  44 -13.601  -3.561  -6.222
  300   HG22  THR  44          HG22      THR  44 -13.345  -1.987  -6.970
  301   HG23  THR  44          HG23      THR  44 -13.523  -2.112  -5.222
  302    HA   PRO  45           HA       PRO  45  -9.399  -2.380  -7.690
  303    HB2  PRO  45           HB2      PRO  45  -7.914  -0.967  -9.746
  304    HB3  PRO  45           HB1      PRO  45  -8.798  -2.491  -9.878
  305    HG2  PRO  45           HG2      PRO  45  -9.591  -0.199 -11.114
  306    HG3  PRO  45           HG1      PRO  45 -10.722  -1.465 -10.588
  307    HD2  PRO  45           HD2      PRO  45 -10.035   1.133  -9.248
  308    HD3  PRO  45           HD1      PRO  45 -11.620   0.359  -9.459
  309    H    TRP  46           HN       TRP  46  -8.197   0.914  -8.307
  310    HA   TRP  46           HA       TRP  46  -6.215   0.497  -6.167
  311    HB2  TRP  46           HB2      TRP  46  -5.057   0.606  -8.320
  312    HB3  TRP  46           HB1      TRP  46  -5.902   2.092  -8.732
  313    HD1  TRP  46           HD1      TRP  46  -3.083   0.789  -6.472
  314    HE1  TRP  46           HE1      TRP  46  -1.639   2.786  -5.726
  315    HE3  TRP  46           HE3      TRP  46  -5.932   4.602  -8.354
  316    HZ2  TRP  46           HZ2      TRP  46  -1.703   5.602  -5.913
  317    HZ3  TRP  46           HZ3      TRP  46  -5.162   6.917  -8.031
  318    HH2  TRP  46           HH2      TRP  46  -3.091   7.403  -6.835
  319    H    ASN  47           HN       ASN  47  -6.772   1.650  -4.468
  320    HA   ASN  47           HA       ASN  47  -7.494   4.452  -4.874
  321    HB2  ASN  47           HB2      ASN  47  -9.018   2.493  -3.148
  322    HB3  ASN  47           HB1      ASN  47  -9.140   4.237  -2.948
  323   HD21  ASN  47          HD21      ASN  47  -9.975   1.513  -4.902
  324   HD22  ASN  47          HD22      ASN  47 -11.080   2.339  -5.947
  325    H    CYS  48           HN       CYS  48  -5.836   5.472  -4.000
  326    HA   CYS  48           HA       CYS  48  -4.225   4.427  -1.915
  327    HB2  CYS  48           HB2      CYS  48  -3.350   6.050  -3.542
  328    HB3  CYS  48           HB1      CYS  48  -4.484   7.260  -2.958
  329    H    ILE  49           HN       ILE  49  -5.071   4.069   0.009
  330    HA   ILE  49           HA       ILE  49  -7.312   5.284   1.100
  331    HB   ILE  49           HB       ILE  49  -6.635   4.309   3.250
  332   HG12  ILE  49          HG12      ILE  49  -4.040   3.642   1.824
  333   HG13  ILE  49          HG11      ILE  49  -4.220   4.773   3.162
  334   HG21  ILE  49          HG21      ILE  49  -7.713   2.906   1.597
  335   HG22  ILE  49          HG22      ILE  49  -6.510   1.970   2.482
  336   HG23  ILE  49          HG23      ILE  49  -6.157   2.542   0.853
  337   HD11  ILE  49          HD11      ILE  49  -4.911   2.924   4.608
  338   HD12  ILE  49          HD12      ILE  49  -3.307   2.668   3.921
  339   HD13  ILE  49          HD13      ILE  49  -4.698   1.805   3.262
  340    H    PHE  50           HN       PHE  50  -4.023   6.373   1.088
  341    HA   PHE  50           HA       PHE  50  -4.398   8.332   3.146
  342    HB2  PHE  50           HB2      PHE  50  -2.214   8.090   1.062
  343    HB3  PHE  50           HB1      PHE  50  -2.186   9.178   2.450
  344    HD1  PHE  50           HD1      PHE  50  -2.197   8.186   4.766
  345    HD2  PHE  50           HD2      PHE  50  -1.549   5.854   1.264
  346    HE1  PHE  50           HE1      PHE  50  -1.168   6.424   6.132
  347    HE2  PHE  50           HE2      PHE  50  -0.523   4.089   2.626
  348    HZ   PHE  50           HZ       PHE  50  -0.444   4.334   5.090
  349    H    CYS  51           HN       CYS  51  -4.175   8.491  -0.415
  350    HA   CYS  51           HA       CYS  51  -4.662  11.314  -0.445
  351    HB2  CYS  51           HB2      CYS  51  -4.534   9.254  -2.646
  352    HB3  CYS  51           HB1      CYS  51  -4.891  10.949  -2.955
  353    H    ARG  52           HN       ARG  52  -6.670   8.461  -0.752
  354    HA   ARG  52           HA       ARG  52  -8.914   9.936  -1.791
  355    HB2  ARG  52           HB2      ARG  52  -8.413   7.485  -2.258
  356    HB3  ARG  52           HB1      ARG  52  -8.960   7.155  -0.620
  357    HG2  ARG  52           HG2      ARG  52 -10.729   6.728  -2.218
  358    HG3  ARG  52           HG1      ARG  52 -11.159   8.079  -1.166
  359    HD2  ARG  52           HD2      ARG  52 -10.470   9.653  -2.914
  360    HD3  ARG  52           HD1      ARG  52 -10.045   8.302  -3.962
  361    HE   ARG  52           HE       ARG  52 -12.580   7.744  -3.540
  362   HH11  ARG  52          HH11      ARG  52 -11.098  10.857  -4.144
  363   HH12  ARG  52          HH12      ARG  52 -12.498  11.520  -4.923
  364   HH21  ARG  52          HH21      ARG  52 -14.429   8.609  -4.567
  365   HH22  ARG  52          HH22      ARG  52 -14.404  10.240  -5.161
  366    H    MET  53           HN       MET  53  -7.577   9.332   1.251
  367    HA   MET  53           HA       MET  53  -9.972  10.435   2.549
  368    HB2  MET  53           HB2      MET  53  -8.208   8.219   3.626
  369    HB3  MET  53           HB1      MET  53  -9.451   9.040   4.555
  370    HG2  MET  53           HG2      MET  53 -11.161   8.198   3.060
  371    HG3  MET  53           HG1      MET  53  -9.932   7.428   2.059
  372    HE1  MET  53           HE1      MET  53 -11.633   7.515   5.584
  373    HE2  MET  53           HE2      MET  53  -9.925   7.598   6.017
  374    HE3  MET  53           HE3      MET  53 -10.862   6.155   6.399
  375    H    LYS  54           HN       LYS  54  -8.069  12.104   1.684
  376    HA   LYS  54           HA       LYS  54  -6.172  12.502   3.864
  377    HB2  LYS  54           HB2      LYS  54  -5.139  14.214   2.390
  378    HB3  LYS  54           HB1      LYS  54  -5.161  12.601   1.699
  379    HG2  LYS  54           HG2      LYS  54  -7.087  13.229   0.314
  380    HG3  LYS  54           HG1      LYS  54  -7.024  14.860   0.990
  381    HD2  LYS  54           HD2      LYS  54  -4.732  15.107   0.128
  382    HD3  LYS  54           HD1      LYS  54  -4.832  13.495  -0.575
  383    HE2  LYS  54           HE2      LYS  54  -6.688  14.234  -1.994
  384    HE3  LYS  54           HE1      LYS  54  -6.585  15.846  -1.289
  385    HZ1  LYS  54           HZ1      LYS  54  -5.443  15.757  -3.404
  386    HZ2  LYS  54           HZ2      LYS  54  -4.458  14.496  -2.865
  387    HZ3  LYS  54           HZ3      LYS  54  -4.327  16.029  -2.163
  388    H    GLU  55           HN       GLU  55  -8.525  12.918   4.860
  389    HA   GLU  55           HA       GLU  55  -8.800  15.845   4.974
  390    HB2  GLU  55           HB2      GLU  55 -10.806  14.174   4.507
  391    HB3  GLU  55           HB1      GLU  55 -10.777  14.006   6.256
  392    HG2  GLU  55           HG2      GLU  55 -12.388  15.679   5.567
  393    HG3  GLU  55           HG1      GLU  55 -11.085  16.406   6.508
  394    H    SER  56           HN       SER  56  -6.753  14.147   6.168
  395    HA   SER  56           HA       SER  56  -7.335  14.290   9.030
  396    HB2  SER  56           HB2      SER  56  -6.437  12.158   8.074
  397    HB3  SER  56           HB1      SER  56  -4.971  13.020   7.614
  398    HG   SER  56           HG       SER  56  -5.909  12.311  10.163
  Start of MODEL   20
    1    H1   GLY   1           HT1      GLY   1   7.635  -1.835 -11.560
    2    H2   GLY   1           HT2      GLY   1   6.346  -1.712 -12.648
    3    H3   GLY   1           HT3      GLY   1   7.724  -2.594 -13.068
    4    HA2  GLY   1           HA1      GLY   1   5.899  -4.060 -12.464
    5    HA3  GLY   1           HA2      GLY   1   7.273  -4.226 -11.380
    6    H    ALA   2           HN       ALA   2   4.739  -5.051 -10.624
    7    HA   ALA   2           HA       ALA   2   3.390  -3.082  -9.064
    8    HB1  ALA   2           HB1      ALA   2   2.300  -5.155  -9.814
    9    HB2  ALA   2           HB2      ALA   2   2.203  -4.960  -8.066
   10    HB3  ALA   2           HB3      ALA   2   3.364  -6.089  -8.763
   11    H    MET   3           HN       MET   3   5.786  -5.579  -8.328
   12    HA   MET   3           HA       MET   3   6.238  -4.303  -5.709
   13    HB2  MET   3           HB2      MET   3   5.586  -6.685  -5.602
   14    HB3  MET   3           HB1      MET   3   6.957  -7.099  -6.619
   15    HG2  MET   3           HG2      MET   3   8.487  -6.299  -4.894
   16    HG3  MET   3           HG1      MET   3   7.117  -5.864  -3.876
   17    HE1  MET   3           HE1      MET   3   8.186  -7.285  -1.886
   18    HE2  MET   3           HE2      MET   3   9.541  -7.724  -2.925
   19    HE3  MET   3           HE3      MET   3   8.663  -8.975  -2.045
   20    H    GLY   4           HN       GLY   4   7.907  -2.950  -5.779
   21    HA2  GLY   4           HA2      GLY   4  10.104  -3.554  -7.651
   22    HA3  GLY   4           HA1      GLY   4   9.690  -1.947  -7.075
   23    H    MET   5           HN       MET   5  11.433  -1.276  -6.013
   24    HA   MET   5           HA       MET   5  12.839  -3.144  -4.255
   25    HB2  MET   5           HB2      MET   5  14.590  -1.370  -4.162
   26    HB3  MET   5           HB1      MET   5  14.273  -1.967  -5.784
   27    HG2  MET   5           HG2      MET   5  12.890   0.008  -6.230
   28    HG3  MET   5           HG1      MET   5  13.247   0.612  -4.614
   29    HE1  MET   5           HE1      MET   5  15.286   2.990  -6.999
   30    HE2  MET   5           HE2      MET   5  14.061   2.911  -5.731
   31    HE3  MET   5           HE3      MET   5  13.719   2.253  -7.331
   32    H    ARG   6           HN       ARG   6  10.454  -2.600  -3.240
   33    HA   ARG   6           HA       ARG   6  11.023  -0.710  -1.051
   34    HB2  ARG   6           HB2      ARG   6   8.275  -1.350  -2.136
   35    HB3  ARG   6           HB1      ARG   6   8.678  -0.148  -0.920
   36    HG2  ARG   6           HG2      ARG   6   9.475  -0.066  -3.821
   37    HG3  ARG   6           HG1      ARG   6   8.198   0.885  -3.064
   38    HD2  ARG   6           HD2      ARG   6   9.820   2.017  -1.672
   39    HD3  ARG   6           HD1      ARG   6  11.114   1.002  -2.307
   40    HE   ARG   6           HE       ARG   6   9.650   2.556  -4.267
   41   HH11  ARG   6          HH11      ARG   6  12.458   2.327  -2.196
   42   HH12  ARG   6          HH12      ARG   6  13.364   3.515  -3.079
   43   HH21  ARG   6          HH21      ARG   6  10.841   4.112  -5.439
   44   HH22  ARG   6          HH22      ARG   6  12.448   4.527  -4.925
   45    H    ASN   7           HN       ASN   7  11.785  -2.223   0.372
   46    HA   ASN   7           HA       ASN   7   9.869  -4.312   1.178
   47    HB2  ASN   7           HB2      ASN   7  12.892  -4.394   1.298
   48    HB3  ASN   7           HB1      ASN   7  11.830  -5.615   1.982
   49   HD21  ASN   7          HD21      ASN   7  13.133  -4.264  -0.944
   50   HD22  ASN   7          HD22      ASN   7  12.607  -5.530  -1.999
   51    H    LEU   8           HN       LEU   8   8.907  -2.800   2.598
   52    HA   LEU   8           HA       LEU   8  10.516  -1.634   4.695
   53    HB2  LEU   8           HB2      LEU   8   7.633  -1.461   3.925
   54    HB3  LEU   8           HB1      LEU   8   8.133  -0.948   5.521
   55    HG   LEU   8           HG       LEU   8   7.975   0.972   4.079
   56   HD11  LEU   8          HD11      LEU   8  10.156   1.933   4.360
   57   HD12  LEU   8          HD12      LEU   8  10.882   0.337   4.520
   58   HD13  LEU   8          HD13      LEU   8   9.774   0.929   5.758
   59   HD21  LEU   8          HD21      LEU   8   8.263  -0.131   1.925
   60   HD22  LEU   8          HD22      LEU   8   9.972  -0.388   2.276
   61   HD23  LEU   8          HD23      LEU   8   9.346   1.250   2.089
   62    H    ASP   9           HN       ASP   9  11.052  -2.665   6.411
   63    HA   ASP   9           HA       ASP   9  11.277  -4.307   7.990
   64    HB2  ASP   9           HB2      ASP   9   9.421  -2.729   8.779
   65    HB3  ASP   9           HB1      ASP   9   8.304  -4.013   8.334
   66    H    GLU  10           HN       GLU  10  10.609  -5.242   5.280
   67    HA   GLU  10           HA       GLU  10  10.245  -7.186   4.169
   68    HB2  GLU  10           HB2      GLU  10  10.258  -8.398   6.932
   69    HB3  GLU  10           HB1      GLU  10  10.272  -9.316   5.433
   70    HG2  GLU  10           HG2      GLU  10  12.392  -8.225   4.828
   71    HG3  GLU  10           HG1      GLU  10  12.387  -7.406   6.387
   72    H    CYS  11           HN       CYS  11   8.305  -6.520   3.382
   73    HA   CYS  11           HA       CYS  11   5.857  -6.749   4.856
   74    HB2  CYS  11           HB2      CYS  11   6.364  -4.975   3.183
   75    HB3  CYS  11           HB1      CYS  11   6.324  -6.196   1.925
   76    H    GLU  12           HN       GLU  12   5.160  -8.751   5.267
   77    HA   GLU  12           HA       GLU  12   5.738 -11.006   3.672
   78    HB2  GLU  12           HB2      GLU  12   3.763 -10.584   5.900
   79    HB3  GLU  12           HB1      GLU  12   4.033 -12.144   5.132
   80    HG2  GLU  12           HG2      GLU  12   6.080 -10.507   6.611
   81    HG3  GLU  12           HG1      GLU  12   5.292 -11.974   7.192
   82    H    VAL  13           HN       VAL  13   3.032  -8.787   3.741
   83    HA   VAL  13           HA       VAL  13   1.316 -10.473   2.227
   84    HB   VAL  13           HB       VAL  13   0.346  -8.720   3.580
   85   HG11  VAL  13          HG11      VAL  13   2.145  -7.079   3.354
   86   HG12  VAL  13          HG12      VAL  13   0.554  -6.386   3.049
   87   HG13  VAL  13          HG13      VAL  13   1.625  -6.759   1.700
   88   HG21  VAL  13          HG21      VAL  13  -0.882  -9.461   1.592
   89   HG22  VAL  13          HG22      VAL  13  -0.126  -8.169   0.660
   90   HG23  VAL  13          HG23      VAL  13  -1.219  -7.775   1.987
   91    H    CYS  14           HN       CYS  14   3.567  -7.868   1.323
   92    HA   CYS  14           HA       CYS  14   3.008  -8.047  -1.458
   93    HB2  CYS  14           HB2      CYS  14   5.253  -6.885   0.142
   94    HB3  CYS  14           HB1      CYS  14   5.421  -7.043  -1.602
   95    H    ARG  15           HN       ARG  15   5.027  -9.806   0.723
   96    HA   ARG  15           HA       ARG  15   6.621 -11.225  -1.102
   97    HB2  ARG  15           HB2      ARG  15   7.033 -11.221   1.306
   98    HB3  ARG  15           HB1      ARG  15   5.524 -12.076   1.582
   99    HG2  ARG  15           HG2      ARG  15   6.426 -13.992   0.317
  100    HG3  ARG  15           HG1      ARG  15   7.964 -13.138   0.174
  101    HD2  ARG  15           HD2      ARG  15   8.143 -13.056   2.613
  102    HD3  ARG  15           HD1      ARG  15   6.606 -13.905   2.757
  103    HE   ARG  15           HE       ARG  15   8.513 -15.370   1.205
  104   HH11  ARG  15          HH11      ARG  15   7.528 -14.599   4.485
  105   HH12  ARG  15          HH12      ARG  15   8.201 -16.054   5.154
  106   HH21  ARG  15          HH21      ARG  15   9.395 -17.277   2.093
  107   HH22  ARG  15          HH22      ARG  15   9.259 -17.574   3.796
  108    H    ASP  16           HN       ASP  16   3.365 -11.792   0.114
  109    HA   ASP  16           HA       ASP  16   2.991 -14.173  -1.473
  110    HB2  ASP  16           HB2      ASP  16   1.305 -12.569   0.397
  111    HB3  ASP  16           HB1      ASP  16   0.497 -13.629  -0.753
  112    H    GLY  17           HN       GLY  17   3.082 -10.958  -2.224
  113    HA2  GLY  17           HA2      GLY  17   2.625  -9.919  -4.248
  114    HA3  GLY  17           HA1      GLY  17   1.803 -11.381  -4.776
  115    H    GLY  18           HN       GLY  18   0.931 -10.029  -1.742
  116    HA2  GLY  18           HA2      GLY  18  -1.778  -9.718  -2.339
  117    HA3  GLY  18           HA1      GLY  18  -0.958  -8.998  -0.967
  118    H    GLU  19           HN       GLU  19  -2.939  -7.535  -1.837
  119    HA   GLU  19           HA       GLU  19  -2.246  -5.878  -4.086
  120    HB2  GLU  19           HB2      GLU  19  -4.558  -5.823  -2.145
  121    HB3  GLU  19           HB1      GLU  19  -4.408  -4.752  -3.531
  122    HG2  GLU  19           HG2      GLU  19  -4.464  -6.665  -5.033
  123    HG3  GLU  19           HG1      GLU  19  -4.572  -7.755  -3.650
  124    H    LEU  20           HN       LEU  20  -2.090  -3.602  -3.998
  125    HA   LEU  20           HA       LEU  20  -1.314  -2.473  -1.400
  126    HB2  LEU  20           HB2      LEU  20   0.614  -3.190  -2.963
  127    HB3  LEU  20           HB1      LEU  20   0.128  -1.837  -3.965
  128    HG   LEU  20           HG       LEU  20   0.808  -1.420  -1.066
  129   HD11  LEU  20          HD11      LEU  20   2.689  -2.632  -2.074
  130   HD12  LEU  20          HD12      LEU  20   3.109  -0.958  -1.711
  131   HD13  LEU  20          HD13      LEU  20   2.758  -1.439  -3.370
  132   HD21  LEU  20          HD21      LEU  20   1.375   0.813  -1.823
  133   HD22  LEU  20          HD22      LEU  20  -0.269   0.411  -2.319
  134   HD23  LEU  20          HD23      LEU  20   1.047   0.360  -3.495
  135    H    PHE  21           HN       PHE  21  -2.444  -0.647  -1.002
  136    HA   PHE  21           HA       PHE  21  -4.047   0.417  -3.234
  137    HB2  PHE  21           HB2      PHE  21  -4.602   0.624  -0.262
  138    HB3  PHE  21           HB1      PHE  21  -5.704   1.043  -1.573
  139    HD1  PHE  21           HD2      PHE  21  -6.020  -1.002  -3.315
  140    HD2  PHE  21           HD1      PHE  21  -5.008  -1.370   0.808
  141    HE1  PHE  21           HE2      PHE  21  -6.900  -3.298  -3.306
  142    HE2  PHE  21           HE1      PHE  21  -5.884  -3.669   0.818
  143    HZ   PHE  21           HZ       PHE  21  -6.834  -4.633  -1.239
  144    H    CYS  22           HN       CYS  22  -1.540   1.438  -3.185
  145    HA   CYS  22           HA       CYS  22  -1.956   4.195  -2.329
  146    HB2  CYS  22           HB2      CYS  22   0.424   2.554  -1.423
  147    HB3  CYS  22           HB1      CYS  22   0.203   4.278  -1.140
  148    H    CYS  23           HN       CYS  23  -0.777   5.682  -3.530
  149    HA   CYS  23           HA       CYS  23   0.383   4.916  -5.997
  150    HB2  CYS  23           HB2      CYS  23   0.994   7.526  -4.619
  151    HB3  CYS  23           HB1      CYS  23   0.790   7.216  -6.344
  152    H    ASP  24           HN       ASP  24   2.732   5.612  -6.567
  153    HA   ASP  24           HA       ASP  24   4.479   3.947  -5.187
  154    HB2  ASP  24           HB2      ASP  24   5.188   6.360  -6.872
  155    HB3  ASP  24           HB1      ASP  24   6.305   5.084  -6.405
  156    H    THR  25           HN       THR  25   4.225   7.486  -4.977
  157    HA   THR  25           HA       THR  25   6.239   7.798  -3.026
  158    HB   THR  25           HB       THR  25   3.906   9.626  -3.609
  159    HG1  THR  25           HG1      THR  25   4.900   9.851  -5.465
  160   HG21  THR  25          HG21      THR  25   6.615  10.194  -2.398
  161   HG22  THR  25          HG22      THR  25   5.086  10.165  -1.522
  162   HG23  THR  25          HG23      THR  25   5.371  11.391  -2.756
  163    H    CYS  26           HN       CYS  26   2.715   7.580  -2.797
  164    HA   CYS  26           HA       CYS  26   2.477   7.903  -0.030
  165    HB2  CYS  26           HB2      CYS  26   0.714   6.281  -1.879
  166    HB3  CYS  26           HB1      CYS  26   0.251   6.926  -0.305
  167    H    SER  27           HN       SER  27   3.176   5.074  -1.985
  168    HA   SER  27           HA       SER  27   2.911   3.154   0.105
  169    HB2  SER  27           HB2      SER  27   2.716   2.602  -2.304
  170    HB3  SER  27           HB1      SER  27   4.422   2.979  -2.514
  171    HG   SER  27           HG       SER  27   4.134   0.758  -2.257
  172    H    ARG  28           HN       ARG  28   5.599   5.018  -1.226
  173    HA   ARG  28           HA       ARG  28   7.685   3.551  -0.041
  174    HB2  ARG  28           HB2      ARG  28   7.511   6.393  -1.011
  175    HB3  ARG  28           HB1      ARG  28   9.000   5.700  -0.384
  176    HG2  ARG  28           HG2      ARG  28   9.014   4.042  -2.137
  177    HG3  ARG  28           HG1      ARG  28   7.452   4.612  -2.728
  178    HD2  ARG  28           HD2      ARG  28   9.195   5.512  -4.124
  179    HD3  ARG  28           HD1      ARG  28   8.479   6.818  -3.180
  180    HE   ARG  28           HE       ARG  28  10.662   5.917  -1.735
  181   HH11  ARG  28          HH11      ARG  28  10.085   7.340  -4.880
  182   HH12  ARG  28          HH12      ARG  28  11.631   8.123  -4.949
  183   HH21  ARG  28          HH21      ARG  28  12.701   6.947  -1.823
  184   HH22  ARG  28          HH22      ARG  28  13.126   7.892  -3.216
  185    H    VAL  29           HN       VAL  29   5.706   6.179   1.152
  186    HA   VAL  29           HA       VAL  29   7.437   6.567   3.440
  187    HB   VAL  29           HB       VAL  29   4.829   7.946   2.811
  188   HG11  VAL  29          HG11      VAL  29   7.051   8.673   4.715
  189   HG12  VAL  29          HG12      VAL  29   5.447   8.094   5.162
  190   HG13  VAL  29          HG13      VAL  29   5.630   9.658   4.369
  191   HG21  VAL  29          HG21      VAL  29   6.230   9.794   2.000
  192   HG22  VAL  29          HG22      VAL  29   6.445   8.330   1.039
  193   HG23  VAL  29          HG23      VAL  29   7.663   8.792   2.228
  194    H    PHE  30           HN       PHE  30   4.236   5.219   2.759
  195    HA   PHE  30           HA       PHE  30   4.178   4.243   5.543
  196    HB2  PHE  30           HB2      PHE  30   1.725   5.122   4.004
  197    HB3  PHE  30           HB1      PHE  30   1.792   4.590   5.677
  198    HD1  PHE  30           HD2      PHE  30   3.277   6.040   7.264
  199    HD2  PHE  30           HD1      PHE  30   1.719   7.388   3.533
  200    HE1  PHE  30           HE2      PHE  30   3.559   8.373   7.989
  201    HE2  PHE  30           HE1      PHE  30   2.009   9.722   4.256
  202    HZ   PHE  30           HZ       PHE  30   2.810  10.224   6.499
  203    H    HIS  31           HN       HIS  31   5.250   2.531   3.931
  204    HA   HIS  31           HA       HIS  31   3.535   1.121   2.185
  205    HB2  HIS  31           HB2      HIS  31   6.019   1.124   2.038
  206    HB3  HIS  31           HB1      HIS  31   6.070   0.116   3.478
  207    HD1  HIS  31           HD1      HIS  31   4.680  -0.063  -0.087
  208    HD2  HIS  31           HD2      HIS  31   6.027  -2.521   2.989
  209    HE1  HIS  31           HE1      HIS  31   4.761  -2.420  -1.028
  210    H    GLU  32           HN       GLU  32   4.656   0.339   5.478
  211    HA   GLU  32           HA       GLU  32   3.394  -2.174   5.644
  212    HB2  GLU  32           HB2      GLU  32   4.021  -0.211   7.854
  213    HB3  GLU  32           HB1      GLU  32   3.622  -1.905   8.086
  214    HG2  GLU  32           HG2      GLU  32   5.645  -2.615   7.113
  215    HG3  GLU  32           HG1      GLU  32   5.987  -1.006   6.471
  216    H    ASP  33           HN       ASP  33   2.447   0.987   6.805
  217    HA   ASP  33           HA       ASP  33  -0.069   0.336   7.825
  218    HB2  ASP  33           HB2      ASP  33   0.997   2.945   6.749
  219    HB3  ASP  33           HB1      ASP  33  -0.524   2.791   7.622
  220    H    CYS  34           HN       CYS  34   0.977   0.811   4.575
  221    HA   CYS  34           HA       CYS  34  -1.513   1.559   3.443
  222    HB2  CYS  34           HB2      CYS  34   0.609   1.960   2.283
  223    HB3  CYS  34           HB1      CYS  34   0.876   0.225   2.149
  224    H    HIS  35           HN       HIS  35  -0.116  -1.492   4.344
  225    HA   HIS  35           HA       HIS  35  -2.201  -2.966   2.900
  226    HB2  HIS  35           HB2      HIS  35   0.123  -4.047   4.511
  227    HB3  HIS  35           HB1      HIS  35  -0.942  -4.974   3.462
  228    HD1  HIS  35           HD1      HIS  35  -0.453  -4.860   0.886
  229    HD2  HIS  35           HD2      HIS  35   2.043  -2.503   3.229
  230    HE1  HIS  35           HE1      HIS  35   1.494  -4.196  -0.586
  231    H    ILE  36           HN       ILE  36  -2.251  -1.301   5.540
  232    HA   ILE  36           HA       ILE  36  -3.680  -3.314   7.145
  233    HB   ILE  36           HB       ILE  36  -1.941  -1.063   8.181
  234   HG12  ILE  36          HG12      ILE  36  -1.613  -4.066   8.357
  235   HG13  ILE  36          HG11      ILE  36  -0.668  -2.989   7.335
  236   HG21  ILE  36          HG21      ILE  36  -3.526  -3.115   9.724
  237   HG22  ILE  36          HG22      ILE  36  -3.919  -1.402   9.583
  238   HG23  ILE  36          HG23      ILE  36  -2.445  -1.902  10.412
  239   HD11  ILE  36          HD11      ILE  36  -0.716  -2.962  10.346
  240   HD12  ILE  36          HD12      ILE  36   0.251  -1.908   9.313
  241   HD13  ILE  36          HD13      ILE  36   0.556  -3.646   9.335
  242    HA   PRO  37           HA       PRO  37  -5.134  -3.577   8.501
  243    HB2  PRO  37           HB2      PRO  37  -8.000  -3.668   8.081
  244    HB3  PRO  37           HB1      PRO  37  -7.114  -3.580   9.609
  245    HG2  PRO  37           HG2      PRO  37  -8.661  -1.547   8.647
  246    HG3  PRO  37           HG1      PRO  37  -7.259  -1.293   9.706
  247    HD2  PRO  37           HD2      PRO  37  -7.460  -1.012   6.723
  248    HD3  PRO  37           HD1      PRO  37  -6.638   0.037   7.902
  249    HA   PRO  38           HA       PRO  38  -5.371  -6.055   4.749
  250    HB2  PRO  38           HB2      PRO  38  -6.006  -8.258   6.631
  251    HB3  PRO  38           HB1      PRO  38  -4.716  -8.144   5.429
  252    HG2  PRO  38           HG2      PRO  38  -4.184  -7.926   8.041
  253    HG3  PRO  38           HG1      PRO  38  -3.320  -6.949   6.837
  254    HD2  PRO  38           HD2      PRO  38  -5.547  -6.154   8.682
  255    HD3  PRO  38           HD1      PRO  38  -4.108  -5.234   8.185
  256    H    VAL  39           HN       VAL  39  -7.279  -5.286   3.871
  257    HA   VAL  39           HA       VAL  39  -9.813  -5.998   5.093
  258    HB   VAL  39           HB       VAL  39 -10.784  -4.491   3.356
  259   HG11  VAL  39          HG11      VAL  39  -9.934  -2.427   4.360
  260   HG12  VAL  39          HG12      VAL  39  -8.578  -3.319   5.045
  261   HG13  VAL  39          HG13      VAL  39 -10.222  -3.665   5.581
  262   HG21  VAL  39          HG21      VAL  39  -9.073  -4.765   1.640
  263   HG22  VAL  39          HG22      VAL  39  -7.888  -3.984   2.685
  264   HG23  VAL  39          HG23      VAL  39  -9.262  -3.066   2.072
  265    H    GLU  40           HN       GLU  40 -11.628  -6.636   3.645
  266    HA   GLU  40           HA       GLU  40 -10.817  -8.235   1.332
  267    HB2  GLU  40           HB2      GLU  40 -12.126 -10.160   2.116
  268    HB3  GLU  40           HB1      GLU  40 -10.824  -9.779   3.235
  269    HG2  GLU  40           HG2      GLU  40 -12.400  -8.652   4.706
  270    HG3  GLU  40           HG1      GLU  40 -13.709  -8.995   3.578
  271    H    ALA  41           HN       ALA  41 -12.759  -5.907   2.536
  272    HA   ALA  41           HA       ALA  41 -14.895  -6.510   0.608
  273    HB1  ALA  41           HB1      ALA  41 -15.702  -6.943   2.887
  274    HB2  ALA  41           HB2      ALA  41 -16.564  -5.612   2.113
  275    HB3  ALA  41           HB3      ALA  41 -15.327  -5.275   3.325
  276    H    GLU  42           HN       GLU  42 -12.959  -4.085   2.237
  277    HA   GLU  42           HA       GLU  42 -14.063  -2.046   0.429
  278    HB2  GLU  42           HB2      GLU  42 -12.531  -1.726   3.015
  279    HB3  GLU  42           HB1      GLU  42 -13.021  -0.393   1.979
  280    HG2  GLU  42           HG2      GLU  42 -15.383  -1.096   2.295
  281    HG3  GLU  42           HG1      GLU  42 -14.821  -2.299   3.455
  282    H    ARG  43           HN       ARG  43 -12.170  -0.210   0.241
  283    HA   ARG  43           HA       ARG  43 -10.369   0.391  -0.983
  284    HB2  ARG  43           HB2      ARG  43  -9.220  -1.978   0.475
  285    HB3  ARG  43           HB1      ARG  43  -8.260  -1.025  -0.642
  286    HG2  ARG  43           HG2      ARG  43  -7.776  -0.186   1.495
  287    HG3  ARG  43           HG1      ARG  43  -8.856   0.992   0.757
  288    HD2  ARG  43           HD2      ARG  43 -10.742  -0.006   1.996
  289    HD3  ARG  43           HD1      ARG  43  -9.622  -1.126   2.766
  290    HE   ARG  43           HE       ARG  43  -8.885   1.624   3.117
  291   HH11  ARG  43          HH11      ARG  43 -10.925  -0.929   4.363
  292   HH12  ARG  43          HH12      ARG  43 -10.999  -0.266   5.960
  293   HH21  ARG  43          HH21      ARG  43  -8.991   2.515   5.219
  294   HH22  ARG  43          HH22      ARG  43  -9.899   1.693   6.449
  295    H    THR  44           HN       THR  44 -11.866  -0.279  -2.754
  296    HA   THR  44           HA       THR  44 -10.406  -2.016  -4.564
  297    HB   THR  44           HB       THR  44 -11.931  -3.597  -3.526
  298    HG1  THR  44           HG1      THR  44 -12.421  -4.446  -5.404
  299   HG21  THR  44          HG21      THR  44 -13.637  -2.089  -2.696
  300   HG22  THR  44          HG22      THR  44 -14.380  -3.324  -3.714
  301   HG23  THR  44          HG23      THR  44 -14.128  -1.696  -4.344
  302    HA   PRO  45           HA       PRO  45 -10.701  -2.755  -6.596
  303    HB2  PRO  45           HB2      PRO  45  -9.621  -2.069  -8.953
  304    HB3  PRO  45           HB1      PRO  45 -11.346  -2.448  -8.809
  305    HG2  PRO  45           HG2      PRO  45  -9.994   0.230  -8.928
  306    HG3  PRO  45           HG1      PRO  45 -11.472  -0.320  -9.752
  307    HD2  PRO  45           HD2      PRO  45 -11.473   1.175  -7.445
  308    HD3  PRO  45           HD1      PRO  45 -12.786   0.079  -7.914
  309    H    TRP  46           HN       TRP  46  -9.562   0.393  -6.068
  310    HA   TRP  46           HA       TRP  46  -6.946  -0.604  -5.307
  311    HB2  TRP  46           HB2      TRP  46  -6.693   0.080  -7.689
  312    HB3  TRP  46           HB1      TRP  46  -7.267   1.687  -7.272
  313    HD1  TRP  46           HD1      TRP  46  -4.346  -0.635  -6.177
  314    HE1  TRP  46           HE1      TRP  46  -2.255   0.833  -5.867
  315    HE3  TRP  46           HE3      TRP  46  -6.412   3.930  -7.195
  316    HZ2  TRP  46           HZ2      TRP  46  -1.575   3.575  -6.046
  317    HZ3  TRP  46           HZ3      TRP  46  -4.973   5.921  -7.115
  318    HH2  TRP  46           HH2      TRP  46  -2.611   5.748  -6.553
  319    H    ASN  47           HN       ASN  47  -7.999   2.704  -5.944
  320    HA   ASN  47           HA       ASN  47  -8.455   4.485  -4.619
  321    HB2  ASN  47           HB2      ASN  47  -9.508   2.297  -2.819
  322    HB3  ASN  47           HB1      ASN  47  -9.726   4.011  -2.491
  323   HD21  ASN  47          HD21      ASN  47 -11.947   3.880  -2.616
  324   HD22  ASN  47          HD22      ASN  47 -12.782   3.662  -4.113
  325    H    CYS  48           HN       CYS  48  -6.378   5.253  -4.213
  326    HA   CYS  48           HA       CYS  48  -4.684   4.203  -2.197
  327    HB2  CYS  48           HB2      CYS  48  -3.739   5.564  -3.964
  328    HB3  CYS  48           HB1      CYS  48  -4.723   6.939  -3.480
  329    H    ILE  49           HN       ILE  49  -5.354   4.071  -0.188
  330    HA   ILE  49           HA       ILE  49  -7.369   5.615   0.971
  331    HB   ILE  49           HB       ILE  49  -6.497   4.707   3.169
  332   HG12  ILE  49          HG12      ILE  49  -4.543   3.340   1.300
  333   HG13  ILE  49          HG11      ILE  49  -4.146   4.472   2.587
  334   HG21  ILE  49          HG21      ILE  49  -7.182   2.396   2.640
  335   HG22  ILE  49          HG22      ILE  49  -7.089   2.781   0.922
  336   HG23  ILE  49          HG23      ILE  49  -8.266   3.601   1.946
  337   HD11  ILE  49          HD11      ILE  49  -3.660   2.194   3.247
  338   HD12  ILE  49          HD12      ILE  49  -5.335   1.732   2.944
  339   HD13  ILE  49          HD13      ILE  49  -4.954   2.866   4.241
  340    H    PHE  50           HN       PHE  50  -3.888   6.106   0.935
  341    HA   PHE  50           HA       PHE  50  -3.965   8.119   2.967
  342    HB2  PHE  50           HB2      PHE  50  -1.785   7.373   1.011
  343    HB3  PHE  50           HB1      PHE  50  -1.597   8.573   2.291
  344    HD1  PHE  50           HD1      PHE  50  -2.374   7.698   4.694
  345    HD2  PHE  50           HD2      PHE  50  -1.103   5.235   1.462
  346    HE1  PHE  50           HE1      PHE  50  -1.751   5.934   6.283
  347    HE2  PHE  50           HE2      PHE  50  -0.490   3.463   3.047
  348    HZ   PHE  50           HZ       PHE  50  -1.004   3.780   5.494
  349    H    CYS  51           HN       CYS  51  -4.199   8.163  -0.529
  350    HA   CYS  51           HA       CYS  51  -4.002  11.010  -0.711
  351    HB2  CYS  51           HB2      CYS  51  -4.808   8.839  -2.598
  352    HB3  CYS  51           HB1      CYS  51  -5.285  10.492  -2.970
  353    H    ARG  52           HN       ARG  52  -6.505   8.794   0.123
  354    HA   ARG  52           HA       ARG  52  -8.629  10.713  -0.336
  355    HB2  ARG  52           HB2      ARG  52  -8.716   7.992   0.982
  356    HB3  ARG  52           HB1      ARG  52 -10.110   8.958   0.522
  357    HG2  ARG  52           HG2      ARG  52  -9.543   8.740  -1.815
  358    HG3  ARG  52           HG1      ARG  52  -8.064   7.869  -1.399
  359    HD2  ARG  52           HD2      ARG  52  -9.760   6.289  -2.070
  360    HD3  ARG  52           HD1      ARG  52  -9.440   6.109  -0.346
  361    HE   ARG  52           HE       ARG  52 -11.729   7.692  -1.305
  362   HH11  ARG  52          HH11      ARG  52 -10.441   5.051   0.609
  363   HH12  ARG  52          HH12      ARG  52 -11.956   4.706   1.373
  364   HH21  ARG  52          HH21      ARG  52 -13.719   7.235  -0.290
  365   HH22  ARG  52          HH22      ARG  52 -13.817   5.944   0.869
  366    H    MET  53           HN       MET  53  -6.806   9.387   2.367
  367    HA   MET  53           HA       MET  53  -8.492  10.791   4.285
  368    HB2  MET  53           HB2      MET  53  -6.132   8.947   4.711
  369    HB3  MET  53           HB1      MET  53  -7.084   9.669   6.000
  370    HG2  MET  53           HG2      MET  53  -9.051   8.479   5.265
  371    HG3  MET  53           HG1      MET  53  -8.166   7.815   3.892
  372    HE1  MET  53           HE1      MET  53  -7.306   6.734   8.297
  373    HE2  MET  53           HE2      MET  53  -8.548   7.875   7.781
  374    HE3  MET  53           HE3      MET  53  -6.842   8.284   7.598
  375    H    LYS  54           HN       LYS  54  -5.434  11.148   2.731
  376    HA   LYS  54           HA       LYS  54  -4.798  13.412   4.506
  377    HB2  LYS  54           HB2      LYS  54  -2.846  11.514   3.183
  378    HB3  LYS  54           HB1      LYS  54  -2.411  12.920   4.141
  379    HG2  LYS  54           HG2      LYS  54  -3.386  11.909   6.122
  380    HG3  LYS  54           HG1      LYS  54  -3.917  10.521   5.169
  381    HD2  LYS  54           HD2      LYS  54  -1.864  10.033   6.419
  382    HD3  LYS  54           HD1      LYS  54  -1.600   9.951   4.677
  383    HE2  LYS  54           HE2      LYS  54   0.244  11.099   5.791
  384    HE3  LYS  54           HE1      LYS  54  -0.625  12.192   4.715
  385    HZ1  LYS  54           HZ1      LYS  54  -1.858  12.975   6.714
  386    HZ2  LYS  54           HZ2      LYS  54  -0.209  13.335   6.732
  387    HZ3  LYS  54           HZ3      LYS  54  -0.805  12.062   7.673
  388    H    GLU  55           HN       GLU  55  -2.763  14.559   3.174
  389    HA   GLU  55           HA       GLU  55  -3.548  14.838   0.382
  390    HB2  GLU  55           HB2      GLU  55  -4.800  16.568   1.632
  391    HB3  GLU  55           HB1      GLU  55  -3.283  17.190   2.264
  392    HG2  GLU  55           HG2      GLU  55  -2.571  17.761   0.001
  393    HG3  GLU  55           HG1      GLU  55  -4.091  17.133  -0.635
  394    H    SER  56           HN       SER  56  -1.712  14.207  -0.538
  395    HA   SER  56           HA       SER  56   0.834  15.241   0.483
  396    HB2  SER  56           HB2      SER  56   0.562  12.760   0.172
  397    HB3  SER  56           HB1      SER  56   0.367  13.044  -1.555
  398    HG   SER  56           HG       SER  56   2.651  13.374   0.062