*HEADER    HYDROLASE                               04-FEB-17   5X37              
*TITLE     SOLUTION STRUCTURE OF THE FAMILY 1 CARBOHYDRATE-BINDING MODULE WITH   
*TITLE    2 MANNOSYLATED SER14                                                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: EXOGLUCANASE 1;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 478-513;                                      
*COMPND   5 SYNONYM: 1,4-BETA-CELLOBIOHYDROLASE,EXOCELLOBIOHYDROLASE I,CBHI,     
*COMPND   6 EXOGLUCANASE I;                                                      
*COMPND   7 EC: 3.2.1.91;                                                        
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HYPOCREA JECORINA;                              
*SOURCE   4 ORGANISM_TAXID: 51453                                                
*KEYWDS    CARBOHYDRATE BINDING, HYDROLASE                                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Y.FENG,Z.TAN                                                          
*REVDAT   1   31-MAY-17 5X37    0                                                
# Restraints file 1: all.tbl
assign (resid   24 and name   HN) (resid   36 and name   HN) 2.65 0.85 0.85 ! 0.9785    0:1  Long   2.63, 2.78 A
assign (resid   13 and name   HN) (resid   12 and name   HN) 2.65 0.85 0.85 ! 0.9743    1:1  Seq    2.20, 2.39 A
assign (resid    5 and name  HD*) (resid    5 and name   HN) 3.15 1.35 1.35 ! 0.0000    2:1  Intra  3.04, 4.22 A
assign (resid    4 and name  HD2) (resid    5 and name   HN) 2.65 0.85 0.85 ! 0.0000    3:1  Seq    1.93, 2.34 A
assign (resid    5 and name   HN) (resid    6 and name   HN) 3.15 1.35 1.35 ! 0.9966    4:1  Seq    2.51, 2.69 A
assign (resid   23 and name   HN) (resid   22 and name   HN) 2.65 0.85 0.85 ! 0.9959    5:1  Seq    2.11, 2.35 A
assign (resid   32 and name   HN) (resid   31 and name   HN) 2.30 0.50 0.50 ! 0.9479    6:1  Seq    2.01, 2.16 A
assign (resid   31 and name  HD*) (resid   31 and name   HN) 2.65 0.85 0.85 ! 0.9973    7:1  Intra  2.12, 3.64 A
assign (resid   18 and name   HN) (resid   17 and name   HN) 2.65 0.85 0.85 ! 0.0000    9:1  Seq    2.02, 2.27 A
assign (resid   32 and name  HE*) (resid    7 and name   HN) 3.65 1.85 1.85 ! 0.9189   10:1  Long   3.44, 5.36 A
assign (resid   12 and name   HN) (resid   13 and name   HN) 2.65 0.85 0.85 ! 0.9774   11:1  Seq    2.20, 2.39 A
assign (resid   22 and name   HN) (resid   23 and name   HN) 2.65 0.85 0.85 ! 0.9984   12:1  Seq    2.11, 2.35 A
assign (resid   31 and name   HN) (resid   32 and name   HN) 2.30 0.50 0.50 ! 0.9826   13:1  Seq    2.01, 2.16 A
assign (resid    9 and name   HN) (resid    8 and name   HN) 2.30 0.50 0.50 ! 0.9971   16:1  Seq    2.26, 2.43 A
assign (resid   36 and name   HN) (resid   26 and name HE21) 3.65 1.85 1.85 ! 0.8371   18:1  Long   3.09, 3.93 A
assign (resid   24 and name   HN) (resid   26 and name HE21) 3.65 1.85 1.85 ! 0.0000   19:1  Mid    3.43, 3.85 A
assign (resid   17 and name   HN) (resid   18 and name   HN) 2.30 0.50 0.50 ! 0.0000   20:1  Seq    2.02, 2.27 A
assign (resid   13 and name   HN) (resid   13 and name  HD*) 3.15 1.35 1.35 ! 0.6150   22:1  Ambig  4.17, 4.79 A
    or (resid    8 and name   HN) (resid   13 and name  HD*)                ! 0.3108   22:1  -----  4.67, 6.37 A
assign (resid   31 and name  HE*) (resid   31 and name  HD*) 2.30 0.50 0.50 ! 0.0000   30:1  Intra  2.44, 3.68 A
assign (resid   32 and name  HE*) (resid   32 and name  HD*) 2.30 0.50 0.50 ! 0.0000   32:1  Intra  2.44, 3.68 A
assign (resid   13 and name  HE*) (resid   13 and name  HD*) 2.30 0.50 0.50 ! 0.0000   33:1  Intra  2.42, 3.68 A
assign (resid    5 and name   HN) (resid    4 and name  HD2) 2.65 0.85 0.85 ! 0.9387   34:1  Seq    1.93, 2.34 A
assign (resid   34 and name   HN) (resid   33 and name   HN) 3.65 1.85 1.85 ! 0.5324   35:1  Ambig  4.22, 4.31 A
    or (resid   36 and name   HN) (resid   26 and name HE22)                ! 0.4380   35:1  -----  4.36, 5.16 A
assign (resid    4 and name  HE1) (resid    5 and name  HE*) 3.65 1.85 1.85 ! 0.9946   37:1  Seq    2.45, 4.61 A
assign (resid    8 and name   HN) (resid    9 and name   HN) 2.30 0.50 0.50 ! 0.9980   38:1  Seq    2.26, 2.43 A
assign (resid   32 and name   HN) (resid   33 and name   HN) 3.15 1.35 1.35 ! 0.9625   40:1  Seq    4.26, 4.30 A
assign (resid   31 and name  HD*) (resid   31 and name  HE*) 2.30 0.50 0.50 ! 0.0000   43:1  Intra  2.44, 3.68 A
assign (resid   32 and name  HD*) (resid   32 and name  HE*) 2.30 0.50 0.50 ! 0.0000   45:1  Intra  2.44, 3.68 A
assign (resid    5 and name  HD*) (resid    5 and name  HE*) 2.30 0.50 0.50 ! 0.0000   46:1  Intra  2.43, 3.68 A
assign (resid    5 and name  HE*) (resid    5 and name  HD*) 2.30 0.50 0.50 ! 0.0000   47:1  Intra  2.43, 3.68 A
assign (resid   24 and name   HN) (resid   35 and name   HA) 3.15 1.35 1.35 ! 0.0000   48:1  Long   3.59, 3.78 A
assign (resid   34 and name   HN) (resid   33 and name   HA) 2.30 0.50 0.50 ! 0.9982   49:1  Seq    2.17, 2.23 A
assign (resid   36 and name   HN) (resid   35 and name   HA) 2.30 0.50 0.50 ! 0.9940   50:1  Seq    2.09, 2.12 A
assign (resid   26 and name   HN) (resid   35 and name   HA) 2.65 0.85 0.85 ! 0.0000   51:1  Long   2.97, 3.16 A
assign (resid   26 and name   HN) (resid   34 and name   HA) 3.65 1.85 1.85 ! 0.7565   52:1  Ambig  4.46, 4.55 A
    or (resid   36 and name   HN) (resid   34 and name   HA)                ! 0.2435   52:1  -----  5.38, 5.48 A
assign (resid   28 and name   HN) (resid   33 and name   HA) 2.65 0.85 0.85 ! 0.9855   54:1  Long   1.95, 2.22 A
assign (resid   25 and name   HN) (resid   35 and name   HA) 3.65 1.85 1.85 ! 0.0000   55:1  Long   3.80, 4.05 A
assign (resid   29 and name HD21) (resid   30 and name  HD1) 4.15 2.35 2.35 ! 0.0000   56:1  Seq    4.18, 5.56 A
assign (resid   14 and name   HN) (resid   15 and name   HN) 3.15 1.35 1.35 ! 0.0000   57:1  Seq    2.25, 3.43 A
assign (resid   35 and name   HN) (resid   35 and name   HA) 2.65 0.85 0.85 ! 0.0000   58:1  Intra  2.81, 2.83 A
assign (resid   29 and name   HN) (resid   29 and name   HA) 2.65 0.85 0.85 ! 0.0000   59:1  Intra  2.80, 2.85 A
assign (resid    8 and name   HN) (resid    8 and name   HA) 3.15 1.35 1.35 ! 0.9511   62:1  Intra  2.86, 2.91 A
assign (resid   29 and name HD21) (resid   29 and name   HA) 3.65 1.85 1.85 ! 0.0000   63:1  Intra  4.05, 4.28 A
assign (resid   33 and name   HN) (resid   33 and name   HA) 3.15 1.35 1.35 ! 0.9899   64:1  Intra  2.91, 2.92 A
assign (resid    9 and name   HN) (resid    8 and name   HA) 3.15 1.35 1.35 ! 0.9203   65:1  Seq    3.16, 3.52 A
assign (resid   13 and name  HE*) (resid    8 and name   HA) 3.15 1.35 1.35 ! 0.0000   66:1  Long   2.82, 4.89 A
assign (resid   24 and name   HN) (resid   23 and name   HA) 2.65 0.85 0.85 ! 0.0000   67:1  Seq    2.21, 2.27 A
assign (resid   24 and name   HN) (resid   24 and name   HA) 2.65 0.85 0.85 ! 0.8866   68:1  Intra  2.91, 2.92 A
assign (resid   36 and name   HN) (resid   23 and name   HA) 3.15 1.35 1.35 ! 0.6689   69:1  Ambig  4.34, 4.54 A
    or (resid   34 and name   HN) (resid   28 and name   HA)                ! 0.2343   69:1  -----  5.17, 5.50 A
assign (resid   36 and name   HN) (resid   25 and name   HA) 2.65 0.85 0.85 ! 0.5804   70:1  Ambig  3.39, 3.56 A
    or (resid   34 and name   HN) (resid   25 and name   HA)                ! 0.1911   70:1  -----  4.08, 4.36 A
    or (resid   34 and name   HN) (resid   26 and name   HA)                ! 0.0885   70:1  -----  4.64, 4.71 A
assign (resid   26 and name   HN) (resid   25 and name   HA) 2.30 0.50 0.50 ! 0.8550   71:1  Seq    2.14, 2.18 A
assign (resid   12 and name   HN) (resid   12 and name  HA1) 2.65 0.85 0.85 ! 0.9756   72:1  Intra  2.90, 2.94 A
assign (resid    5 and name   HN) (resid    4 and name   HA) 2.30 0.50 0.50 ! 0.5296   73:1  Ambig  2.13, 2.18 A
    or (resid    5 and name   HN) (resid    5 and name   HA)                ! 0.4704   73:1  -----  2.17, 2.19 A
assign (resid    2 and name   HN) (resid    1 and name   HB) 3.15 1.35 1.35 ! 0.9963   74:1  Seq    1.88, 2.81 A
assign (resid    3 and name   HN) (resid    2 and name   HA) 2.65 0.85 0.85 ! 0.0000   75:1  Seq    2.18, 2.28 A
assign (resid   28 and name   HN) (resid   28 and name   HA) 3.15 1.35 1.35 ! 0.8064   76:1  Intra  2.83, 2.88 A
assign (resid   27 and name   HN) (resid   26 and name   HA) 2.30 0.50 0.50 ! 0.9602   77:1  Seq    2.03, 2.09 A
assign (resid   25 and name   HN) (resid   25 and name   HA) 2.65 0.85 0.85 ! 0.9606   78:1  Intra  2.82, 2.85 A
assign (resid    3 and name   HN) (resid    3 and name   HA) 3.15 1.35 1.35 ! 0.0000   79:1  Intra  2.73, 2.85 A
assign (resid    4 and name   HN) (resid    3 and name   HA) 2.65 0.85 0.85 ! 0.0000   80:1  Seq    2.28, 2.42 A
assign (resid   31 and name   HN) (resid   31 and name   HA) 3.15 1.35 1.35 ! 0.9955   81:1  Intra  2.91, 2.94 A
assign (resid   22 and name   HN) (resid   22 and name  HA1) 2.65 0.85 0.85 ! 0.0000   82:1  Intra  2.92, 2.94 A
assign (resid   10 and name   HN) (resid    9 and name  HA2) 2.30 0.50 0.50 ! 0.8584   83:1  Seq    2.05, 2.22 A
assign (resid   22 and name   HN) (resid   21 and name   HA) 2.30 0.50 0.50 ! 0.0000   84:1  Seq    2.11, 2.14 A
assign (resid    7 and name   HN) (resid    6 and name  HA2) 2.30 0.50 0.50 ! 0.9091   85:1  Seq    2.29, 2.42 A
assign (resid    6 and name   HN) (resid    5 and name   HA) 2.30 0.50 0.50 ! 0.7482   86:1  Ambig  2.41, 2.69 A
    or (resid    6 and name   HN) (resid    6 and name  HA2)                ! 0.2518   86:1  -----  2.90, 2.93 A
assign (resid    4 and name   HN) (resid    4 and name   HA) 2.65 0.85 0.85 ! 0.9874   87:1  Intra  2.78, 2.82 A
assign (resid   14 and name   HN) (resid  101 and name   H1) 3.15 1.35 1.35 ! 0.7026   88:1  Ambig  2.45, 4.46 A
    or (resid   14 and name   HN) (resid   14 and name   HA)                ! 0.2908   88:1  -----  2.83, 2.89 A
assign (resid   17 and name   HN) (resid   17 and name   HA) 2.65 0.85 0.85 ! 0.9768   89:1  Intra  2.83, 2.88 A
assign (resid   29 and name   HN) (resid   28 and name   HA) 3.15 1.35 1.35 ! 0.6235   90:1  Ambig  3.41, 3.47 A
    or (resid    2 and name HE21) (resid    2 and name   HA)                ! 0.2638   90:1  -----  3.94, 4.40 A
assign (resid    4 and name  HE1) (resid    5 and name  HD*) 3.65 1.85 1.85 ! 0.7321   93:1  Ambig  3.35, 5.70 A
    or (resid    4 and name  HE1) (resid    4 and name  HD2)                ! 0.1834   93:1  -----  4.21, 4.22 A
assign (resid   14 and name   HN) (resid   13 and name   HA) 2.30 0.50 0.50 ! 0.0000   94:1  Seq    2.09, 2.23 A
assign (resid   17 and name   HN) (resid   16 and name   HA) 2.30 0.50 0.50 ! 0.0000   96:1  Seq    2.12, 2.19 A
assign (resid   17 and name   HN) (resid   17 and name   HB) 3.15 1.35 1.35 ! 0.9459   97:1  Intra  3.46, 3.55 A
assign (resid   11 and name   HN) (resid   31 and name   HA) 2.30 0.50 0.50 ! 0.0000   98:1  Long   1.83, 2.08 A
assign (resid   35 and name   HN) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.0000   99:1  Long   3.79, 3.97 A
assign (resid   21 and name   HN) (resid   21 and name   HA) 2.65 0.85 0.85 ! 0.0000  100:1  Intra  2.70, 2.76 A
assign (resid   35 and name   HN) (resid    5 and name   HA) 3.15 1.35 1.35 ! 0.5207  101:1  Ambig  3.95, 4.14 A
    or (resid   35 and name   HN) (resid    4 and name   HA)                ! 0.2117  101:1  -----  4.58, 4.85 A
    or (resid   35 and name   HN) (resid    6 and name  HA2)                ! 0.1772  101:1  -----  4.72, 4.84 A
assign (resid   13 and name   HN) (resid   14 and name   HA) 3.65 1.85 1.85 ! 0.5749  102:1  Ambig  4.83, 5.11 A
    or (resid    8 and name   HN) (resid   17 and name   HA)                ! 0.3864  102:1  -----  5.16, 5.45 A
assign (resid   20 and name   HN) (resid   19 and name   HA) 2.30 0.50 0.50 ! 0.9972  104:1  Seq    2.31, 2.39 A
assign (resid   13 and name   HN) (resid   13 and name   HA) 2.65 0.85 0.85 ! 0.9123  105:1  Intra  2.89, 2.92 A
assign (resid   23 and name   HN) (resid   22 and name  HA1) 2.65 0.85 0.85 ! 0.9940  108:1  Seq    3.06, 3.17 A
assign (resid   23 and name   HN) (resid   21 and name   HA) 3.15 1.35 1.35 ! 0.9658  111:1  Mid    3.24, 3.43 A
assign (resid   32 and name   HN) (resid   32 and name   HA) 3.15 1.35 1.35 ! 0.0000  112:1  Intra  2.88, 2.89 A
assign (resid   32 and name   HN) (resid   31 and name   HA) 3.15 1.35 1.35 ! 0.0000  114:1  Seq    3.48, 3.52 A
assign (resid    8 and name   HN) (resid    7 and name   HA) 2.30 0.50 0.50 ! 0.8938  115:1  Seq    2.03, 2.07 A
assign (resid   34 and name HE21) (resid    5 and name   HA) 3.15 1.35 1.35 ! 0.6382  116:1  Ambig  2.50, 2.90 A
    or (resid   34 and name HE21) (resid    6 and name  HA2)                ! 0.3596  116:1  -----  2.75, 3.12 A
assign (resid    7 and name HE21) (resid   32 and name   HA) 3.15 1.35 1.35 ! 0.9976  117:1  Long   1.96, 2.34 A
assign (resid    7 and name HE22) (resid   32 and name   HA) 3.15 1.35 1.35 ! 0.9645  118:1  Long   2.75, 3.31 A
assign (resid   18 and name   HN) (resid   16 and name   HA) 3.15 1.35 1.35 ! 0.0000  120:1  Mid    3.21, 3.43 A
assign (resid   31 and name  HD*) (resid   31 and name   HA) 2.65 0.85 0.85 ! 0.0000  121:1  Intra  2.80, 3.56 A
assign (resid    7 and name HE21) (resid   10 and name  HA2) 3.15 1.35 1.35 ! 0.7160  122:1  Ambig  3.87, 4.50 A
    or (resid    7 and name HE21) (resid    7 and name   HA)                ! 0.2209  122:1  -----  4.70, 4.85 A
assign (resid   32 and name  HD*) (resid   32 and name   HA) 2.30 0.50 0.50 ! 0.7007  123:1  Ambig  2.29, 3.42 A
    or (resid   13 and name  HD*) (resid   13 and name   HA)                ! 0.2921  123:1  -----  2.65, 3.60 A
assign (resid    9 and name   HN) (resid   32 and name   HA) 3.65 1.85 1.85 ! 0.3458  124:1  Ambig  5.16, 5.54 A
    or (resid    9 and name   HN) (resid   17 and name   HB)                ! 0.2935  124:1  -----  5.31, 5.81 A
    or (resid    9 and name   HN) (resid   25 and name   HA)                ! 0.2539  124:1  -----  5.44, 5.83 A
assign (resid   33 and name   HN) (resid   32 and name   HA) 2.30 0.50 0.50 ! 0.9991  125:1  Seq    2.04, 2.08 A
assign (resid    4 and name  HD2) (resid   36 and name   HA) 2.65 0.85 0.85 ! 0.9996  126:1  Long   1.98, 2.34 A
assign (resid   33 and name   HN) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.6647  127:1  Ambig  3.41, 3.84 A
    or (resid   33 and name   HN) (resid   10 and name  HA2)                ! 0.3031  127:1  -----  3.89, 4.21 A
assign (resid    9 and name   HN) (resid    9 and name  HA2) 2.65 0.85 0.85 ! 0.8756  128:1  Intra  2.62, 2.74 A
assign (resid   13 and name  HD*) (resid    9 and name  HA2) 2.65 0.85 0.85 ! 0.9920  129:1  Mid    1.90, 3.65 A
assign (resid    5 and name  HD*) (resid    5 and name   HA) 2.65 0.85 0.85 ! 0.9664  130:1  Intra  2.23, 3.42 A
assign (resid    4 and name  HD2) (resid    4 and name   HA) 2.65 0.85 0.85 ! 0.9194  131:1  Intra  2.34, 2.45 A
assign (resid   34 and name HE22) (resid    5 and name   HA) 3.15 1.35 1.35 ! 0.8395  132:1  Long   3.10, 3.38 A
assign (resid   32 and name  HE*) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.0000  133:1  Long   3.54, 4.73 A
assign (resid    5 and name  HE*) (resid    5 and name   HA) 3.65 1.85 1.85 ! 0.8492  134:1  Intra  4.37, 5.20 A
assign (resid   24 and name   HN) (resid   24 and name   HB) 3.15 1.35 1.35 ! 0.0000  135:1  Intra  3.64, 3.68 A
assign (resid   24 and name   HN) (resid   23 and name   HB) 2.65 0.85 0.85 ! 0.0000  136:1  Seq    2.77, 2.81 A
assign (resid   34 and name   HN) (resid   27 and name   HA) 3.15 1.35 1.35 ! 0.0000  137:1  Long   3.36, 3.65 A
assign (resid    2 and name   HN) (resid    1 and name   HA) 3.15 1.35 1.35 ! 0.9969  138:1  Seq    2.14, 2.33 A
assign (resid   12 and name   HN) (resid   11 and name   HA) 2.30 0.50 0.50 ! 0.6342  139:1  Ambig  2.08, 2.13 A
    or (resid   12 and name   HN) (resid   12 and name  HA2)                ! 0.3219  139:1  -----  2.33, 2.39 A
assign (resid   34 and name   HN) (resid   33 and name  HB1) 2.65 0.85 0.85 ! 0.7205  140:1  Ambig  3.04, 3.20 A
    or (resid   12 and name   HN) (resid  101 and name   H5)                ! 0.2725  140:1  -----  3.58, 5.04 A
assign (resid   19 and name   HN) (resid   18 and name   HA) 2.30 0.50 0.50 ! 0.9909  141:1  Seq    2.07, 2.13 A
assign (resid   28 and name   HN) (resid   27 and name   HA) 2.30 0.50 0.50 ! 0.8570  142:1  Seq    2.11, 2.17 A
assign (resid   25 and name   HN) (resid   24 and name   HB) 2.65 0.85 0.85 ! 0.0000  143:1  Seq    2.79, 3.09 A
assign (resid    4 and name   HN) (resid    3 and name  HB2) 2.65 0.85 0.85 ! 0.5028  144:1  Ambig  2.13, 2.83 A
    or (resid    4 and name   HN) (resid    3 and name  HB1)                ! 0.4972  144:1  -----  2.13, 3.00 A
assign (resid    3 and name   HN) (resid    3 and name  HB2) 2.65 0.85 0.85 ! 0.6765  145:1  Ambig  2.30, 2.97 A
    or (resid    3 and name   HN) (resid    3 and name  HB1)                ! 0.3214  145:1  -----  2.61, 3.14 A
assign (resid   22 and name   HN) (resid   21 and name  HB*) 3.15 1.35 1.35 ! 0.0000  146:1  Seq    3.31, 3.92 A
assign (resid   10 and name   HN) (resid   10 and name  HA1) 2.30 0.50 0.50 ! 0.8705  147:1  Intra  2.35, 2.40 A
assign (resid   31 and name   HN) (resid   30 and name  HD2) 3.15 1.35 1.35 ! 0.9938  148:1  Seq    2.96, 3.10 A
assign (resid   19 and name   HN) (resid   19 and name  HB1) 3.15 1.35 1.35 ! 0.0000  149:1  Intra  3.56, 3.60 A
assign (resid   22 and name   HN) (resid   22 and name  HA2) 2.65 0.85 0.85 ! 0.9968  150:1  Intra  2.35, 2.40 A
assign (resid    6 and name   HN) (resid    6 and name  HA1) 2.30 0.50 0.50 ! 0.0000  151:1  Intra  2.37, 2.55 A
assign (resid    7 and name   HN) (resid    6 and name  HA1) 2.65 0.85 0.85 ! 0.6241  152:1  Ambig  2.63, 2.77 A
    or (resid    2 and name HE21) (resid    6 and name  HA1)                ! 0.2419  152:1  -----  3.07, 3.29 A
assign (resid   21 and name   HN) (resid   20 and name   HA) 2.30 0.50 0.50 ! 0.9925  153:1  Seq    2.15, 2.31 A
assign (resid   21 and name   HN) (resid   21 and name  HB*) 2.30 0.50 0.50 ! 0.9925  154:1  Intra  2.44, 2.97 A
assign (resid   14 and name   HN) (resid   14 and name  HB2) 3.15 1.35 1.35 ! 0.8737  155:1  Intra  2.63, 3.10 A
assign (resid   11 and name   HN) (resid   10 and name  HA1) 2.30 0.50 0.50 ! 0.7104  156:1  Ambig  2.39, 2.58 A
    or (resid   11 and name   HN) (resid   11 and name   HA)                ! 0.2877  156:1  -----  2.78, 2.81 A
assign (resid   14 and name   HN) (resid   14 and name  HB1) 3.15 1.35 1.35 ! 0.6541  157:1  Ambig  3.18, 3.68 A
    or (resid   14 and name   HN) (resid  101 and name   H4)                ! 0.1936  157:1  -----  3.89, 5.75 A
assign (resid   14 and name   HN) (resid  101 and name   H5) 3.65 1.85 1.85 ! 0.9458  158:1  Long   2.56, 4.70 A
assign (resid   20 and name   HN) (resid   20 and name   HA) 2.65 0.85 0.85 ! 0.9706  160:1  Intra  2.75, 2.79 A
assign (resid   13 and name   HN) (resid   12 and name  HA2) 2.65 0.85 0.85 ! 0.4425  165:1  Ambig  3.20, 3.35 A
    or (resid   13 and name   HN) (resid   11 and name   HA)                ! 0.3779  165:1  -----  3.28, 3.45 A
assign (resid   23 and name   HN) (resid   23 and name   HB) 3.65 1.85 1.85 ! 0.7449  166:1  Ambig  3.75, 3.81 A
    or (resid   20 and name   HN) (resid   23 and name   HB)                ! 0.2551  166:1  -----  4.48, 4.75 A
assign (resid   20 and name   HN) (resid   19 and name  HB1) 2.65 0.85 0.85 ! 0.8175  167:1  Seq    2.35, 2.47 A
assign (resid   23 and name   HN) (resid   22 and name  HA2) 3.15 1.35 1.35 ! 0.8789  168:1  Seq    3.08, 3.36 A
assign (resid   13 and name   HN) (resid  101 and name   H5) 3.65 1.85 1.85 ! 0.4769  169:1  Ambig  3.86, 5.15 A
    or (resid    8 and name   HN) (resid   33 and name  HB1)                ! 0.4096  169:1  -----  3.96, 4.27 A
assign (resid   32 and name   HN) (resid   10 and name  HA1) 3.65 1.85 1.85 ! 0.9695  170:1  Long   4.20, 4.47 A
assign (resid   29 and name HD21) (resid   30 and name  HD2) 3.65 1.85 1.85 ! 0.0000  171:1  Seq    2.62, 4.41 A
assign (resid    8 and name   HN) (resid    8 and name  HB2) 3.65 1.85 1.85 ! 0.0000  172:1  Intra  3.51, 3.57 A
assign (resid   18 and name   HN) (resid   18 and name   HA) 3.15 1.35 1.35 ! 0.9610  173:1  Intra  2.83, 2.90 A
assign (resid   31 and name  HD*) (resid   30 and name  HD2) 3.15 1.35 1.35 ! 0.0000  175:1  Seq    3.22, 5.44 A
assign (resid   13 and name  HD*) (resid    9 and name  HA1) 3.15 1.35 1.35 ! 0.8916  176:1  Mid    2.68, 5.12 A
assign (resid   33 and name   HN) (resid   10 and name  HA1) 3.15 1.35 1.35 ! 0.9719  177:1  Long   3.01, 3.34 A
assign (resid    9 and name   HN) (resid    9 and name  HA1) 2.65 0.85 0.85 ! 0.9368  178:1  Intra  2.72, 2.83 A
assign (resid   33 and name   HN) (resid   33 and name  HB1) 3.15 1.35 1.35 ! 0.9210  179:1  Intra  3.72, 3.76 A
assign (resid    9 and name   HN) (resid   33 and name  HB1) 3.65 1.85 1.85 ! 0.9748  180:1  Long   3.32, 3.65 A
assign (resid   13 and name  HE*) (resid   15 and name  HA1) 3.15 1.35 1.35 ! 0.9972  181:1  Mid    2.40, 3.88 A
assign (resid   24 and name   HN) (resid   35 and name  HB2) 3.65 1.85 1.85 ! 0.0000  182:1  Long   5.22, 5.47 A
assign (resid   24 and name   HN) (resid   35 and name  HB1) 3.65 1.85 1.85 ! 0.9568  183:1  Long   3.90, 4.13 A
assign (resid    5 and name   HN) (resid    5 and name  HB2) 3.65 1.85 1.85 ! 0.0000  184:1  Intra  3.46, 3.61 A
assign (resid   26 and name   HN) (resid   25 and name  HB2) 3.65 1.85 1.85 ! 0.0000  185:1  Seq    4.40, 4.47 A
assign (resid    5 and name   HN) (resid    4 and name  HB1) 3.15 1.35 1.35 ! 0.5552  186:1  Ambig  3.89, 4.04 A
    or (resid    5 and name   HN) (resid    5 and name  HB1)                ! 0.4448  186:1  -----  4.04, 4.11 A
assign (resid    5 and name   HN) (resid   35 and name  HB2) 3.15 1.35 1.35 ! 0.0000  187:1  Long   2.38, 2.68 A
assign (resid   36 and name   HN) (resid   35 and name  HB2) 3.15 1.35 1.35 ! 0.9376  188:1  Seq    4.21, 4.25 A
assign (resid   26 and name   HN) (resid   25 and name  HB1) 3.65 1.85 1.85 ! 0.7796  189:1  Ambig  4.32, 4.42 A
    or (resid   26 and name   HN) (resid   35 and name  HB1)                ! 0.2204  189:1  -----  5.33, 5.53 A
assign (resid    5 and name   HN) (resid   35 and name  HB1) 3.15 1.35 1.35 ! 0.0000  190:1  Long   3.78, 3.97 A
assign (resid   36 and name   HN) (resid   35 and name  HB1) 3.15 1.35 1.35 ! 0.5854  191:1  Ambig  3.55, 3.66 A
    or (resid   34 and name   HN) (resid   33 and name  HB2)                ! 0.3089  191:1  -----  3.95, 4.04 A
assign (resid   31 and name   HN) (resid   31 and name  HB1) 3.15 1.35 1.35 ! 0.0000  192:1  Intra  3.64, 3.68 A
assign (resid    6 and name   HN) (resid    5 and name  HB2) 3.65 1.85 1.85 ! 0.0000  193:1  Seq    3.90, 4.31 A
assign (resid   31 and name   HN) (resid   29 and name  HB*) 3.15 1.35 1.35 ! 0.9076  194:1  Mid    3.60, 4.31 A
assign (resid   25 and name   HN) (resid   25 and name  HB2) 2.65 0.85 0.85 ! 0.0000  195:1  Intra  2.48, 2.61 A
assign (resid    6 and name   HN) (resid   35 and name  HB2) 3.15 1.35 1.35 ! 0.0000  196:1  Long   2.77, 2.85 A
assign (resid    4 and name   HN) (resid    4 and name  HB1) 2.65 0.85 0.85 ! 0.9973  197:1  Intra  2.52, 2.63 A
assign (resid    4 and name   HN) (resid    4 and name  HB2) 2.65 0.85 0.85 ! 0.0000  198:1  Intra  2.21, 2.35 A
assign (resid   25 and name   HN) (resid   25 and name  HB1) 2.65 0.85 0.85 ! 0.0000  199:1  Intra  2.38, 2.41 A
assign (resid   31 and name   HN) (resid   31 and name  HB2) 2.65 0.85 0.85 ! 0.9576  200:1  Intra  2.42, 2.51 A
assign (resid    6 and name   HN) (resid   35 and name  HB1) 3.65 1.85 1.85 ! 0.0000  201:1  Long   4.51, 4.55 A
assign (resid   11 and name   HN) (resid   31 and name  HB1) 3.65 1.85 1.85 ! 0.0000  202:1  Long   3.57, 4.29 A
assign (resid   29 and name   HN) (resid   29 and name  HB*) 3.15 1.35 1.35 ! 0.0000  203:1  Intra  3.19, 3.64 A
assign (resid    4 and name  HE1) (resid    4 and name  HB1) 3.65 1.85 1.85 ! 0.5292  204:1  Ambig  4.72, 4.82 A
    or (resid   35 and name   HN) (resid   25 and name  HB2)                ! 0.2815  204:1  -----  5.25, 5.50 A
assign (resid   35 and name   HN) (resid   35 and name  HB2) 2.65 0.85 0.85 ! 0.9986  205:1  Intra  2.48, 2.55 A
assign (resid   11 and name   HN) (resid   31 and name  HB2) 3.65 1.85 1.85 ! 0.5533  207:1  Ambig  4.74, 5.06 A
    or (resid   11 and name   HN) (resid   13 and name  HB1)                ! 0.4467  207:1  -----  4.91, 5.26 A
assign (resid   35 and name   HN) (resid   35 and name  HB1) 2.65 0.85 0.85 ! 0.9770  208:1  Intra  3.52, 3.53 A
assign (resid   10 and name   HN) (resid   13 and name  HB2) 3.15 1.35 1.35 ! 0.5334  209:1  Ambig  2.37, 2.95 A
    or (resid    2 and name HE21) (resid    8 and name  HB1)                ! 0.3652  209:1  -----  2.52, 2.91 A
assign (resid   14 and name   HN) (resid   13 and name  HB2) 3.65 1.85 1.85 ! 0.0000  210:1  Seq    3.92, 4.16 A
assign (resid   28 and name   HN) (resid   32 and name  HB1) 3.65 1.85 1.85 ! 0.6911  211:1  Ambig  3.89, 4.39 A
    or (resid   31 and name   HN) (resid   32 and name  HB1)                ! 0.2911  211:1  -----  4.50, 4.68 A
assign (resid   20 and name   HN) (resid   35 and name  HB2) 3.65 1.85 1.85 ! 0.8908  212:1  Long   4.59, 5.01 A
assign (resid   13 and name   HN) (resid   13 and name  HB1) 2.30 0.50 0.50 ! 0.9916  214:1  Intra  2.24, 2.50 A
assign (resid   13 and name   HN) (resid   13 and name  HB2) 2.30 0.50 0.50 ! 0.4466  215:1  Ambig  2.65, 2.87 A
    or (resid    8 and name   HN) (resid    8 and name  HB1)                ! 0.3022  215:1  -----  2.83, 2.92 A
    or (resid    8 and name   HN) (resid   33 and name  HB2)                ! 0.2457  215:1  -----  2.93, 3.38 A
assign (resid   32 and name   HN) (resid   31 and name  HB1) 3.65 1.85 1.85 ! 0.0000  216:1  Seq    3.76, 3.89 A
assign (resid   34 and name HE21) (resid    5 and name  HB2) 3.65 1.85 1.85 ! 0.0000  217:1  Long   4.48, 4.83 A
assign (resid   32 and name   HN) (resid   29 and name  HB*) 3.65 1.85 1.85 ! 0.0000  218:1  Mid    3.90, 4.42 A
assign (resid   29 and name HD21) (resid   29 and name  HB*) 2.30 0.50 0.50 ! 0.0000  219:1  Intra  2.06, 2.74 A
assign (resid   34 and name HE21) (resid    5 and name  HB1) 3.15 1.35 1.35 ! 0.0000  220:1  Long   3.18, 3.49 A
assign (resid   29 and name HD21) (resid   32 and name  HB2) 3.65 1.85 1.85 ! 0.0000  222:1  Mid    3.37, 3.69 A
assign (resid   32 and name   HN) (resid   32 and name  HB2) 2.65 0.85 0.85 ! 0.5342  223:1  Ambig  2.62, 2.82 A
    or (resid   32 and name   HN) (resid   31 and name  HB2)                ! 0.4623  223:1  -----  2.68, 2.85 A
assign (resid   29 and name HD21) (resid   32 and name  HB1) 3.65 1.85 1.85 ! 0.0000  224:1  Mid    2.30, 2.79 A
assign (resid   31 and name  HD*) (resid   31 and name  HB1) 2.65 0.85 0.85 ! 0.0000  225:1  Intra  2.32, 3.06 A
assign (resid   31 and name  HD*) (resid   29 and name  HB*) 3.15 1.35 1.35 ! 0.0000  226:1  Mid    4.18, 7.10 A
assign (resid   29 and name HD22) (resid   29 and name  HB*) 3.15 1.35 1.35 ! 0.0000  227:1  Intra  3.40, 3.71 A
assign (resid    7 and name HE21) (resid   13 and name  HB1) 3.65 1.85 1.85 ! 0.9227  229:1  Long   3.28, 4.04 A
assign (resid   31 and name  HD*) (resid   31 and name  HB2) 2.30 0.50 0.50 ! 0.0000  230:1  Intra  2.34, 3.04 A
assign (resid    7 and name HE22) (resid   13 and name  HB1) 3.15 1.35 1.35 ! 0.8630  231:1  Long   3.49, 4.46 A
assign (resid   29 and name HD22) (resid   32 and name  HB2) 3.15 1.35 1.35 ! 0.8721  232:1  Mid    1.99, 2.30 A
assign (resid    7 and name HE21) (resid   13 and name  HB2) 3.15 1.35 1.35 ! 0.7492  233:1  Ambig  3.03, 3.42 A
    or (resid    7 and name HE21) (resid   32 and name  HB2)                ! 0.1399  233:1  -----  4.01, 4.43 A
assign (resid    7 and name HE22) (resid   13 and name  HB2) 2.65 0.85 0.85 ! 0.9128  234:1  Long   2.66, 3.21 A
assign (resid   29 and name HD22) (resid   32 and name  HB1) 3.15 1.35 1.35 ! 0.0000  235:1  Mid    1.80, 2.06 A
assign (resid   31 and name  HE*) (resid   31 and name  HB1) 3.65 1.85 1.85 ! 0.0000  236:1  Intra  4.63, 5.06 A
assign (resid    5 and name  HD*) (resid    5 and name  HB2) 2.30 0.50 0.50 ! 0.0000  237:1  Intra  2.28, 3.03 A
assign (resid   34 and name HE22) (resid    5 and name  HB2) 3.65 1.85 1.85 ! 0.0000  238:1  Long   4.63, 4.86 A
assign (resid    5 and name  HD*) (resid    5 and name  HB1) 2.30 0.50 0.50 ! 0.8611  239:1  Intra  2.30, 3.06 A
assign (resid    4 and name  HD2) (resid    4 and name  HB1) 3.15 1.35 1.35 ! 0.8801  240:1  Intra  3.63, 3.83 A
assign (resid   34 and name HE22) (resid    5 and name  HB1) 3.15 1.35 1.35 ! 0.0000  241:1  Long   2.99, 3.21 A
assign (resid    4 and name  HD2) (resid    4 and name  HB2) 3.15 1.35 1.35 ! 0.0000  242:1  Intra  3.25, 3.54 A
assign (resid   31 and name  HE*) (resid   31 and name  HB2) 3.15 1.35 1.35 ! 0.0000  243:1  Intra  4.61, 5.04 A
assign (resid   33 and name   HN) (resid   33 and name  HB2) 2.65 0.85 0.85 ! 0.9323  244:1  Intra  2.60, 2.66 A
assign (resid   13 and name  HD*) (resid   13 and name  HB2) 2.30 0.50 0.50 ! 0.5587  245:1  Ambig  2.32, 3.05 A
    or (resid   32 and name  HD*) (resid   32 and name  HB2)                ! 0.4312  245:1  -----  2.42, 3.05 A
assign (resid   13 and name  HD*) (resid   13 and name  HB1) 2.30 0.50 0.50 ! 0.9922  246:1  Intra  2.26, 3.05 A
assign (resid    9 and name   HN) (resid   33 and name  HB2) 2.65 0.85 0.85 ! 0.9813  247:1  Long   1.93, 2.21 A
assign (resid   32 and name  HD*) (resid   32 and name  HB1) 2.30 0.50 0.50 ! 0.0000  248:1  Intra  2.27, 3.02 A
assign (resid   33 and name   HN) (resid   32 and name  HB1) 3.65 1.85 1.85 ! 0.0000  249:1  Seq    4.16, 4.26 A
assign (resid    5 and name  HE*) (resid    5 and name  HB2) 3.65 1.85 1.85 ! 0.0000  250:1  Intra  4.58, 5.04 A
assign (resid    5 and name  HE*) (resid    4 and name  HB1) 3.65 1.85 1.85 ! 0.6422  251:1  Ambig  4.18, 6.30 A
    or (resid    5 and name  HE*) (resid    5 and name  HB1)                ! 0.3578  251:1  -----  4.61, 5.04 A
assign (resid   32 and name  HE*) (resid   32 and name  HB2) 3.65 1.85 1.85 ! 0.9153  252:1  Intra  4.65, 5.03 A
assign (resid   32 and name  HE*) (resid   32 and name  HB1) 3.65 1.85 1.85 ! 0.0000  253:1  Intra  4.57, 5.04 A
assign (resid   24 and name   HN) (resid   26 and name  HG2) 3.65 1.85 1.85 ! 0.5750  254:1  Ambig  4.00, 5.42 A
    or (resid   24 and name   HN) (resid   19 and name  HB2)                ! 0.4250  254:1  -----  4.21, 4.52 A
assign (resid   26 and name   HN) (resid   26 and name  HG1) 3.15 1.35 1.35 ! 0.6505  255:1  Ambig  2.70, 3.08 A
    or (resid   36 and name   HN) (resid   26 and name  HG1)                ! 0.3495  255:1  -----  3.00, 3.50 A
assign (resid   26 and name   HN) (resid   26 and name  HG2) 3.15 1.35 1.35 ! 0.6296  256:1  Ambig  2.66, 3.65 A
    or (resid   36 and name   HN) (resid   26 and name  HG2)                ! 0.3537  256:1  -----  2.93, 4.67 A
assign (resid    5 and name   HN) (resid   34 and name  HG*) 3.65 1.85 1.85 ! 0.0000  257:1  Long   3.25, 3.56 A
assign (resid   36 and name   HN) (resid   34 and name  HG*) 3.15 1.35 1.35 ! 0.3644  258:1  Ambig  4.09, 4.84 A
    or (resid   34 and name   HN) (resid   34 and name  HG*)                ! 0.2949  258:1  -----  4.23, 4.51 A
    or (resid   34 and name   HN) (resid   26 and name  HB1)                ! 0.2247  258:1  -----  4.43, 4.70 A
assign (resid   26 and name   HN) (resid   26 and name  HB1) 3.15 1.35 1.35 ! 0.8611  259:1  Intra  3.60, 3.63 A
assign (resid    3 and name   HN) (resid    2 and name  HG1) 3.15 1.35 1.35 ! 0.0000  260:1  Seq    2.99, 4.26 A
assign (resid   27 and name   HN) (resid   26 and name  HG1) 3.65 1.85 1.85 ! 0.9052  261:1  Seq    4.63, 5.02 A
assign (resid   25 and name   HN) (resid   19 and name  HB2) 3.65 1.85 1.85 ! 0.8842  262:1  Long   3.32, 3.69 A
assign (resid   19 and name   HN) (resid   19 and name  HB2) 2.65 0.85 0.85 ! 0.9547  263:1  Intra  2.44, 2.53 A
assign (resid    2 and name HE21) (resid    2 and name  HG2) 2.65 0.85 0.85 ! 0.7992  264:1  Ambig  2.85, 3.37 A
    or (resid   27 and name   HN) (resid   26 and name  HG2)                ! 0.1485  264:1  -----  3.77, 4.31 A
assign (resid    3 and name   HN) (resid    2 and name  HG2) 3.65 1.85 1.85 ! 0.9996  265:1  Seq    1.87, 3.42 A
assign (resid    7 and name   HN) (resid    7 and name  HB2) 2.30 0.50 0.50 ! 0.5069  266:1  Ambig  2.54, 2.67 A
    or (resid   31 and name   HN) (resid   30 and name  HG2)                ! 0.2495  266:1  -----  2.86, 3.28 A
    or (resid   27 and name   HN) (resid   26 and name  HB1)                ! 0.1831  266:1  -----  3.01, 3.22 A
assign (resid    2 and name HE21) (resid    2 and name  HG1) 3.15 1.35 1.35 ! 0.9860  267:1  Intra  2.20, 2.43 A
assign (resid   17 and name   HN) (resid   16 and name  HB1) 3.15 1.35 1.35 ! 0.0000  269:1  Seq    3.66, 4.06 A
assign (resid   35 and name   HN) (resid   34 and name  HG*) 2.65 0.85 0.85 ! 0.9941  270:1  Seq    2.45, 2.84 A
assign (resid   20 and name   HN) (resid   19 and name  HB2) 3.15 1.35 1.35 ! 0.7392  271:1  Ambig  3.42, 3.53 A
    or (resid   23 and name   HN) (resid   19 and name  HB2)                ! 0.2192  271:1  -----  4.18, 4.34 A
assign (resid    8 and name   HN) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.9871  272:1  Seq    2.93, 3.29 A
assign (resid   34 and name HE21) (resid   34 and name  HG*) 2.65 0.85 0.85 ! 0.0000  273:1  Intra  2.16, 2.82 A
assign (resid    8 and name   HN) (resid    7 and name  HB2) 3.65 1.85 1.85 ! 0.6223  274:1  Ambig  4.13, 4.27 A
    or (resid    8 and name   HN) (resid   34 and name  HG*)                ! 0.3777  274:1  -----  4.48, 5.51 A
assign (resid    2 and name HE22) (resid    2 and name  HG1) 3.65 1.85 1.85 ! 0.0000  275:1  Intra  3.44, 3.56 A
assign (resid   26 and name HE21) (resid   26 and name  HG1) 3.15 1.35 1.35 ! 0.0000  276:1  Intra  2.17, 2.35 A
assign (resid   18 and name   HN) (resid   16 and name  HB1) 3.65 1.85 1.85 ! 0.0000  277:1  Mid    3.78, 4.24 A
assign (resid    7 and name HE21) (resid    7 and name  HG1) 2.65 0.85 0.85 ! 0.0000  278:1  Intra  2.22, 2.29 A
assign (resid    7 and name HE22) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.0000  279:1  Intra  3.46, 3.49 A
assign (resid   31 and name  HD*) (resid   30 and name  HB1) 3.65 1.85 1.85 ! 0.0000  280:1  Seq    4.13, 5.80 A
assign (resid   26 and name HE21) (resid   26 and name  HG2) 3.15 1.35 1.35 ! 0.9540  281:1  Intra  2.21, 2.84 A
assign (resid   26 and name HE21) (resid   26 and name  HB1) 3.65 1.85 1.85 ! 0.7562  282:1  Ambig  3.93, 4.36 A
    or (resid    2 and name HE22) (resid    7 and name  HB2)                ! 0.1306  282:1  -----  5.27, 6.22 A
assign (resid   32 and name  HD*) (resid    7 and name  HB2) 3.15 1.35 1.35 ! 0.9083  283:1  Long   2.99, 4.74 A
assign (resid   26 and name HE22) (resid   26 and name  HG1) 3.65 1.85 1.85 ! 0.0000  284:1  Intra  3.44, 3.53 A
assign (resid   32 and name  HD*) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.8532  285:1  Long   3.01, 4.64 A
assign (resid   33 and name   HN) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.9461  286:1  Long   2.14, 2.28 A
assign (resid    9 and name   HN) (resid    7 and name  HG1) 2.65 0.85 0.85 ! 0.0000  287:1  Mid    3.25, 3.42 A
assign (resid   31 and name  HE*) (resid   30 and name  HB1) 3.65 1.85 1.85 ! 0.0000  288:1  Seq    4.37, 5.85 A
assign (resid   34 and name HE22) (resid   34 and name  HG*) 2.65 0.85 0.85 ! 0.9814  289:1  Intra  3.43, 3.73 A
assign (resid    5 and name  HD*) (resid   34 and name  HG*) 3.65 1.85 1.85 ! 0.0000  290:1  Long   3.14, 5.27 A
assign (resid   31 and name  HE*) (resid   30 and name  HG2) 3.65 1.85 1.85 ! 0.0000  291:1  Seq    2.62, 4.50 A
assign (resid    9 and name   HN) (resid    7 and name  HB2) 4.15 2.35 2.35 ! 0.8897  292:1  Mid    4.82, 5.36 A
assign (resid   32 and name  HE*) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.0000  293:1  Long   3.67, 5.10 A
assign (resid   32 and name  HE*) (resid    7 and name  HB2) 2.65 0.85 0.85 ! 0.9741  294:1  Long   2.07, 3.99 A
assign (resid   24 and name   HN) (resid   36 and name  HB*) 3.65 1.85 1.85 ! 0.0000  295:1  Long   3.73, 4.33 A
assign (resid   26 and name   HN) (resid   26 and name  HB2) 2.65 0.85 0.85 ! 0.9931  296:1  Intra  2.38, 2.43 A
assign (resid    2 and name   HN) (resid    2 and name  HB2) 3.15 1.35 1.35 ! 0.8489  297:1  Intra  2.18, 2.36 A
assign (resid   34 and name   HN) (resid   34 and name  HB1) 2.65 0.85 0.85 ! 0.9831  298:1  Intra  2.54, 2.64 A
assign (resid   34 and name   HN) (resid   34 and name  HB2) 2.65 0.85 0.85 ! 0.9832  299:1  Intra  3.22, 3.30 A
assign (resid   36 and name   HN) (resid   36 and name  HB*) 2.30 0.50 0.50 ! 0.9945  300:1  Intra  2.48, 3.10 A
assign (resid    2 and name HE21) (resid    2 and name  HB1) 2.30 0.50 0.50 ! 0.6567  301:1  Ambig  1.83, 2.42 A
    or (resid   28 and name   HN) (resid   28 and name  HB2)                ! 0.2129  301:1  -----  2.21, 2.46 A
assign (resid    3 and name   HN) (resid    2 and name  HB1) 3.15 1.35 1.35 ! 0.0000  302:1  Seq    3.41, 3.69 A
assign (resid   28 and name   HN) (resid   28 and name   HG) 2.65 0.85 0.85 ! 0.7245  303:1  Ambig  2.17, 2.83 A
    or (resid   28 and name   HN) (resid   28 and name  HB1)                ! 0.2680  303:1  -----  2.57, 3.47 A
assign (resid    7 and name   HN) (resid    7 and name  HB1) 2.65 0.85 0.85 ! 0.9832  304:1  Intra  2.44, 2.51 A
assign (resid   17 and name   HN) (resid   18 and name   HB) 3.65 1.85 1.85 ! 0.8074  305:1  Seq    4.30, 4.57 A
assign (resid    2 and name HE21) (resid    2 and name  HB1) 2.65 0.85 0.85 ! 0.7766  306:1  Ambig  1.83, 2.42 A
    or (resid   29 and name   HN) (resid   28 and name  HB2)                ! 0.2206  306:1  -----  2.26, 2.67 A
assign (resid   35 and name   HN) (resid   34 and name  HB1) 3.15 1.35 1.35 ! 0.7432  307:1  Ambig  4.02, 4.13 A
    or (resid   35 and name   HN) (resid    2 and name  HB1)                ! 0.2116  307:1  -----  4.96, 5.16 A
assign (resid   29 and name   HN) (resid   28 and name  HB1) 2.65 0.85 0.85 ! 0.7529  308:1  Ambig  2.31, 3.40 A
    or (resid    2 and name HE21) (resid    2 and name  HB2)                ! 0.2032  308:1  -----  2.88, 3.66 A
assign (resid   17 and name   HN) (resid   16 and name  HB2) 3.65 1.85 1.85 ! 0.0000  309:1  Seq    3.84, 4.11 A
assign (resid   35 and name   HN) (resid   34 and name  HB2) 3.15 1.35 1.35 ! 0.0000  310:1  Seq    3.87, 3.96 A
assign (resid   11 and name   HN) (resid   11 and name HG11) 2.65 0.85 0.85 ! 0.0000  311:1  Intra  1.94, 2.06 A
assign (resid   20 and name   HN) (resid    2 and name  HB1) 3.65 1.85 1.85 ! 0.7958  314:1  Ambig  3.93, 4.12 A
    or (resid   20 and name   HN) (resid    2 and name  HB2)                ! 0.2042  314:1  -----  4.93, 5.18 A
assign (resid    8 and name   HN) (resid    7 and name  HB1) 3.65 1.85 1.85 ! 0.0000  315:1  Seq    4.13, 4.25 A
assign (resid   29 and name HD21) (resid   28 and name  HB2) 4.15 2.35 2.35 ! 0.9506  318:1  Seq    3.07, 4.12 A
assign (resid   29 and name HD21) (resid   28 and name  HB1) 4.15 2.35 2.35 ! 0.9489  319:1  Seq    3.09, 4.39 A
assign (resid   18 and name   HN) (resid   18 and name   HB) 2.65 0.85 0.85 ! 0.9941  320:1  Intra  2.49, 2.54 A
assign (resid   26 and name HE21) (resid   26 and name  HB2) 3.65 1.85 1.85 ! 0.6512  321:1  Ambig  2.91, 3.97 A
    or (resid    2 and name HE22) (resid    2 and name  HB1)                ! 0.2520  321:1  -----  3.41, 3.67 A
assign (resid    2 and name HE22) (resid    2 and name  HB2) 3.65 1.85 1.85 ! 0.4580  322:1  Ambig  4.01, 4.85 A
    or (resid   29 and name HD22) (resid   28 and name  HB1)                ! 0.3805  322:1  -----  4.13, 5.21 A
assign (resid   18 and name   HN) (resid   16 and name  HB2) 3.65 1.85 1.85 ! 0.0000  323:1  Mid    3.59, 4.25 A
assign (resid    2 and name HE22) (resid    7 and name  HB1) 4.15 2.35 2.35 ! 0.0000  324:1  Long   4.77, 5.85 A
assign (resid   32 and name  HD*) (resid   34 and name  HB2) 3.15 1.35 1.35 ! 0.0000  325:1  Mid    3.19, 4.69 A
assign (resid   26 and name HE21) (resid   36 and name  HB*) 3.65 1.85 1.85 ! 0.0000  326:1  Long   1.90, 3.46 A
assign (resid   32 and name  HD*) (resid   28 and name  HB2) 2.65 0.85 0.85 ! 0.0000  327:1  Mid    2.21, 4.36 A
assign (resid   34 and name HE22) (resid   34 and name  HB1) 3.65 1.85 1.85 ! 0.7716  328:1  Ambig  4.46, 4.50 A
    or (resid   33 and name   HN) (resid   34 and name  HB1)                ! 0.2284  328:1  -----  5.46, 5.70 A
assign (resid   32 and name  HD*) (resid   28 and name  HB1) 2.65 0.85 0.85 ! 0.7285  329:1  Ambig  2.14, 5.36 A
    or (resid   32 and name  HD*) (resid   28 and name   HG)                ! 0.2715  329:1  -----  2.53, 5.36 A
assign (resid    9 and name   HN) (resid    7 and name  HB1) 3.65 1.85 1.85 ! 0.0000  330:1  Mid    4.18, 5.09 A
assign (resid    4 and name  HD2) (resid   36 and name  HB*) 3.65 1.85 1.85 ! 0.9499  331:1  Long   4.36, 4.99 A
assign (resid   26 and name HE22) (resid   36 and name  HB*) 3.15 1.35 1.35 ! 0.9451  332:1  Long   2.25, 3.74 A
assign (resid   32 and name  HE*) (resid   34 and name  HB1) 2.65 0.85 0.85 ! 0.0000  333:1  Mid    2.90, 4.75 A
assign (resid   13 and name  HE*) (resid    7 and name  HB1) 3.15 1.35 1.35 ! 0.0000  334:1  Long   2.74, 4.45 A
assign (resid   32 and name  HE*) (resid   34 and name  HB2) 2.65 0.85 0.85 ! 0.0000  335:1  Mid    1.99, 3.57 A
assign (resid   24 and name   HN) (resid   36 and name   HG) 4.15 2.35 2.35 ! 0.0000  336:1  Long   5.26, 5.44 A
assign (resid   24 and name   HN) (resid   24 and name HG2*) 3.15 1.35 1.35 ! 0.0000  337:1  Intra  2.96, 3.88 A
assign (resid   36 and name   HN) (resid   36 and name   HG) 2.65 0.85 0.85 ! 0.9120  338:1  Intra  2.78, 2.91 A
assign (resid   34 and name   HN) (resid   28 and name HD1*) 3.15 1.35 1.35 ! 0.8868  339:1  Long   2.48, 4.90 A
assign (resid    2 and name   HN) (resid    1 and name HG2*) 3.65 1.85 1.85 ! 0.0000  340:1  Seq    2.82, 4.31 A
assign (resid    5 and name   HN) (resid   36 and name HD2*) 3.65 1.85 1.85 ! 0.0000  341:1  Long   3.20, 4.69 A
assign (resid   12 and name   HN) (resid   11 and name HG2*) 2.65 0.85 0.85 ! 0.6990  342:1  Ambig  2.99, 3.77 A
    or (resid   34 and name   HN) (resid   28 and name HD2*)                ! 0.1448  342:1  -----  3.89, 5.26 A
assign (resid    4 and name   HN) (resid   20 and name  HB*) 3.65 1.85 1.85 ! 0.0000  343:1  Long   3.63, 4.74 A
assign (resid   31 and name   HN) (resid   30 and name  HB2) 3.15 1.35 1.35 ! 0.0000  344:1  Seq    2.82, 3.18 A
assign (resid   25 and name   HN) (resid   24 and name HG2*) 3.15 1.35 1.35 ! 0.0000  345:1  Seq    3.87, 4.68 A
assign (resid   28 and name   HN) (resid   28 and name HD1*) 3.15 1.35 1.35 ! 0.9141  346:1  Intra  1.97, 4.67 A
assign (resid   19 and name   HN) (resid   18 and name HG1*) 2.65 0.85 0.85 ! 0.9183  347:1  Seq    2.89, 3.70 A
assign (resid   28 and name   HN) (resid   27 and name HG1*) 2.65 0.85 0.85 ! 0.7581  348:1  Ambig  3.34, 4.13 A
    or (resid   27 and name   HN) (resid   27 and name HG1*)                ! 0.1540  348:1  -----  4.36, 4.54 A
assign (resid   35 and name   HN) (resid   36 and name   HG) 3.65 1.85 1.85 ! 0.9434  349:1  Seq    4.60, 4.76 A
assign (resid   21 and name   HN) (resid   20 and name  HB*) 2.30 0.50 0.50 ! 0.7448  350:1  Ambig  2.13, 3.43 A
    or (resid   17 and name   HN) (resid   17 and name HG2*)                ! 0.2552  350:1  -----  2.55, 3.48 A
assign (resid   11 and name   HN) (resid   11 and name   HB) 2.65 0.85 0.85 ! 0.0000  351:1  Intra  2.42, 2.52 A
assign (resid   21 and name   HN) (resid    1 and name HG2*) 3.65 1.85 1.85 ! 0.9836  352:1  Long   3.01, 5.02 A
assign (resid   11 and name   HN) (resid   11 and name HG12) 3.15 1.35 1.35 ! 0.0000  353:1  Intra  3.27, 3.38 A
assign (resid   35 and name   HN) (resid   36 and name HD2*) 3.65 1.85 1.85 ! 0.4995  354:1  Ambig  4.77, 5.83 A
    or (resid    4 and name  HE1) (resid   36 and name HD2*)                ! 0.4351  354:1  -----  4.88, 6.40 A
assign (resid   11 and name   HN) (resid   11 and name HG2*) 3.15 1.35 1.35 ! 0.8462  355:1  Intra  4.36, 4.52 A
assign (resid   17 and name   HN) (resid   18 and name HG2*) 3.65 1.85 1.85 ! 0.9016  356:1  Seq    3.46, 4.78 A
assign (resid   29 and name   HN) (resid   27 and name HG1*) 2.65 0.85 0.85 ! 0.9916  357:1  Mid    2.89, 3.92 A
assign (resid   20 and name   HN) (resid   20 and name  HB*) 2.30 0.50 0.50 ! 0.9400  358:1  Intra  2.44, 2.86 A
assign (resid   20 and name   HN) (resid    1 and name HG2*) 3.65 1.85 1.85 ! 0.0000  359:1  Long   2.92, 5.09 A
assign (resid    8 and name   HN) (resid    7 and name  HG2) 3.15 1.35 1.35 ! 0.9683  361:1  Seq    3.12, 3.39 A
assign (resid   34 and name HE21) (resid   28 and name HD1*) 3.65 1.85 1.85 ! 0.6308  362:1  Ambig  4.46, 5.83 A
    or (resid   34 and name HE21) (resid   36 and name HD2*)                ! 0.3692  362:1  -----  4.88, 5.71 A
assign (resid   18 and name   HN) (resid   17 and name HG2*) 3.65 1.85 1.85 ! 0.0000  363:1  Seq    4.46, 5.06 A
assign (resid   31 and name  HD*) (resid   11 and name   HB) 2.65 0.85 0.85 ! 0.0000  364:1  Long   2.21, 3.82 A
assign (resid   26 and name HE21) (resid   24 and name HG2*) 3.65 1.85 1.85 ! 0.0000  365:1  Mid    3.40, 4.60 A
assign (resid    7 and name HE21) (resid    7 and name  HG2) 2.65 0.85 0.85 ! 0.0000  366:1  Intra  2.87, 2.93 A
assign (resid    7 and name HE22) (resid    7 and name  HG2) 3.15 1.35 1.35 ! 0.0000  367:1  Intra  3.72, 3.76 A
assign (resid   29 and name HD22) (resid   28 and name HD1*) 3.65 1.85 1.85 ! 0.5753  368:1  Ambig  4.95, 6.51 A
    or (resid    2 and name HE22) (resid    7 and name  HG2)                ! 0.4247  368:1  -----  5.20, 6.88 A
assign (resid   18 and name   HN) (resid   18 and name HG2*) 2.65 0.85 0.85 ! 0.9815  369:1  Intra  2.25, 3.27 A
assign (resid   26 and name HE21) (resid   36 and name HD1*) 3.65 1.85 1.85 ! 0.6572  370:1  Ambig  3.24, 4.98 A
    or (resid   29 and name HD22) (resid   28 and name HD2*)                ! 0.3428  370:1  -----  3.62, 7.61 A
assign (resid   31 and name  HD*) (resid   11 and name HG2*) 3.15 1.35 1.35 ! 0.0000  371:1  Long   2.73, 5.55 A
assign (resid    4 and name  HD2) (resid   36 and name   HG) 3.65 1.85 1.85 ! 0.7995  372:1  Ambig  4.78, 5.17 A
    or (resid    4 and name  HD2) (resid   20 and name  HB*)                ! 0.2005  372:1  -----  6.02, 7.73 A
assign (resid   13 and name  HD*) (resid   17 and name HG2*) 3.15 1.35 1.35 ! 0.0000  373:1  Mid    2.94, 6.01 A
assign (resid   31 and name  HE*) (resid   11 and name   HB) 3.15 1.35 1.35 ! 0.0000  374:1  Long   2.96, 4.40 A
assign (resid   26 and name HE22) (resid   24 and name HG2*) 3.65 1.85 1.85 ! 0.0000  375:1  Mid    3.98, 5.78 A
assign (resid    9 and name   HN) (resid    7 and name  HG2) 2.65 0.85 0.85 ! 0.0000  376:1  Mid    2.27, 3.10 A
assign (resid   32 and name  HD*) (resid   28 and name HD1*) 2.65 0.85 0.85 ! 0.9010  377:1  Mid    1.92, 4.94 A
assign (resid   33 and name   HN) (resid    7 and name  HG2) 3.15 1.35 1.35 ! 0.5464  378:1  Ambig  3.44, 3.73 A
    or (resid   34 and name HE22) (resid   28 and name HD1*)                ! 0.1980  378:1  -----  4.08, 5.41 A
    or (resid   33 and name   HN) (resid   28 and name HD1*)                ! 0.1093  378:1  -----  4.50, 6.75 A
assign (resid    5 and name  HD*) (resid   36 and name HD2*) 2.65 0.85 0.85 ! 0.0000  379:1  Long   2.76, 4.93 A
assign (resid    4 and name  HD2) (resid   36 and name HD2*) 3.15 1.35 1.35 ! 0.0000  380:1  Long   3.08, 4.49 A
assign (resid   32 and name  HD*) (resid   28 and name HD2*) 3.15 1.35 1.35 ! 0.0000  381:1  Mid    2.26, 6.92 A
assign (resid   31 and name  HE*) (resid   11 and name HG2*) 2.65 0.85 0.85 ! 0.0000  382:1  Long   2.65, 5.18 A
assign (resid   13 and name  HE*) (resid   17 and name HG2*) 2.65 0.85 0.85 ! 0.0000  383:1  Mid    3.37, 6.28 A
assign (resid   32 and name  HE*) (resid   28 and name HD1*) 2.65 0.85 0.85 ! 0.9953  384:1  Mid    1.96, 4.87 A
assign (resid    5 and name  HE*) (resid   36 and name HD2*) 3.15 1.35 1.35 ! 0.0000  385:1  Long   2.48, 4.70 A
assign (resid   32 and name  HE*) (resid   28 and name HD2*) 3.65 1.85 1.85 ! 0.0000  386:1  Mid    2.44, 7.30 A
assign (resid   24 and name   HN) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  387:1  Seq    4.04, 4.72 A
assign (resid    5 and name   HN) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.0000  388:1  Long   4.22, 5.22 A
assign (resid   36 and name   HN) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.7230  389:1  Ambig  4.88, 5.82 A
    or (resid   12 and name   HN) (resid   11 and name HD1*)                ! 0.2770  389:1  -----  5.73, 6.40 A
assign (resid    4 and name   HN) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.0000  390:1  Long   2.94, 4.56 A
assign (resid    4 and name  HE1) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.9629  391:1  Long   3.72, 5.33 A
assign (resid   11 and name   HN) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.0000  392:1  Intra  3.69, 4.30 A
assign (resid   23 and name   HN) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.9340  393:1  Intra  2.75, 3.72 A
assign (resid   31 and name  HD*) (resid   11 and name HD1*) 3.65 1.85 1.85 ! 0.0000  394:1  Long   3.98, 5.85 A
assign (resid    4 and name  HD2) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  395:1  Long   2.53, 3.65 A
assign (resid   31 and name  HE*) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.0000  396:1  Long   3.93, 5.61 A
assign (resid   33 and name   HA) (resid   34 and name   HN) 3.15 1.35 1.35 ! 0.9878  397:1  Seq    2.17, 2.23 A
assign (resid   33 and name   HA) (resid   28 and name   HN) 3.15 1.35 1.35 ! 0.9664  398:1  Long   1.95, 2.22 A
assign (resid   33 and name   HA) (resid   27 and name   HA) 3.65 1.85 1.85 ! 0.0000  399:1  Long   1.92, 2.20 A
assign (resid    8 and name   HA) (resid    8 and name  HB2) 3.15 1.35 1.35 ! 0.9980  400:1  Intra  2.46, 2.53 A
assign (resid    8 and name   HA) (resid    8 and name  HB1) 3.15 1.35 1.35 ! 0.8206  401:1  Intra  2.32, 2.34 A
assign (resid   24 and name   HB) (resid   24 and name   HN) 3.65 1.85 1.85 ! 0.0000  402:1  Intra  3.64, 3.68 A
assign (resid    4 and name   HA) (resid    5 and name   HN) 2.65 0.85 0.85 ! 0.5296  403:1  Ambig  2.13, 2.18 A
    or (resid    5 and name   HA) (resid    5 and name   HN)                ! 0.4704  403:1  -----  2.17, 2.19 A
assign (resid    1 and name   HA) (resid    2 and name   HN) 3.65 1.85 1.85 ! 0.9989  404:1  Seq    2.14, 2.33 A
assign (resid   23 and name   HB) (resid   24 and name   HN) 2.65 0.85 0.85 ! 0.0000  405:1  Seq    2.77, 2.81 A
assign (resid   11 and name   HA) (resid   12 and name   HN) 2.30 0.50 0.50 ! 0.9850  406:1  Seq    2.08, 2.13 A
assign (resid   19 and name  HB1) (resid   36 and name   HN) 3.65 1.85 1.85 ! 0.8118  407:1  Long   5.15, 5.33 A
assign (resid   12 and name  HA2) (resid   12 and name   HN) 2.65 0.85 0.85 ! 0.9013  408:1  Intra  2.33, 2.39 A
assign (resid   33 and name  HB1) (resid   34 and name   HN) 2.65 0.85 0.85 ! 0.6262  409:1  Ambig  3.04, 3.20 A
    or (resid  101 and name   H5) (resid   12 and name   HN)                ! 0.2368  409:1  -----  3.58, 5.04 A
assign (resid    5 and name  HB2) (resid    5 and name   HN) 3.65 1.85 1.85 ! 0.0000  410:1  Intra  3.46, 3.61 A
assign (resid   25 and name  HB2) (resid   26 and name   HN) 3.15 1.35 1.35 ! 0.7110  411:1  Ambig  4.40, 4.47 A
    or (resid   25 and name  HB2) (resid   36 and name   HN)                ! 0.1763  411:1  -----  5.56, 5.70 A
assign (resid    4 and name  HB1) (resid    5 and name   HN) 3.15 1.35 1.35 ! 0.5552  413:1  Ambig  3.89, 4.04 A
    or (resid    5 and name  HB1) (resid    5 and name   HN)                ! 0.4448  413:1  -----  4.04, 4.11 A
assign (resid   35 and name  HB2) (resid    5 and name   HN) 3.15 1.35 1.35 ! 0.0000  414:1  Long   2.38, 2.68 A
assign (resid    4 and name  HB2) (resid    5 and name   HN) 3.65 1.85 1.85 ! 0.0000  415:1  Seq    4.24, 4.31 A
assign (resid   35 and name  HB1) (resid    5 and name   HN) 3.15 1.35 1.35 ! 0.0000  416:1  Long   3.78, 3.97 A
assign (resid   33 and name  HB2) (resid   34 and name   HN) 3.15 1.35 1.35 ! 0.5817  417:1  Ambig  3.95, 4.04 A
    or (resid    8 and name  HB1) (resid   26 and name   HN)                ! 0.1506  417:1  -----  4.95, 5.37 A
    or (resid   33 and name  HB2) (resid   26 and name   HN)                ! 0.1010  417:1  -----  5.29, 5.59 A
assign (resid   35 and name  HB2) (resid   36 and name   HN) 3.15 1.35 1.35 ! 0.8222  418:1  Seq    4.21, 4.25 A
assign (resid   25 and name  HB1) (resid   26 and name   HN) 3.65 1.85 1.85 ! 0.4820  419:1  Ambig  4.32, 4.42 A
    or (resid   13 and name  HB1) (resid   12 and name   HN)                ! 0.4050  419:1  -----  4.45, 4.73 A
assign (resid   35 and name  HB1) (resid   36 and name   HN) 3.65 1.85 1.85 ! 0.7255  420:1  Ambig  3.55, 3.66 A
    or (resid   13 and name  HB1) (resid   12 and name   HN)                ! 0.1894  420:1  -----  4.45, 4.73 A
assign (resid   26 and name  HG1) (resid   26 and name   HN) 3.15 1.35 1.35 ! 0.6431  421:1  Ambig  2.70, 3.08 A
    or (resid   26 and name  HG1) (resid   36 and name   HN)                ! 0.3455  421:1  -----  3.00, 3.50 A
assign (resid   26 and name  HG2) (resid   26 and name   HN) 3.15 1.35 1.35 ! 0.6243  422:1  Ambig  2.66, 3.65 A
    or (resid   26 and name  HG2) (resid   36 and name   HN)                ! 0.3507  422:1  -----  2.93, 4.67 A
assign (resid    2 and name  HB1) (resid    2 and name   HN) 3.65 1.85 1.85 ! 0.0000  423:1  Intra  2.66, 2.75 A
assign (resid   34 and name  HB1) (resid   34 and name   HN) 3.15 1.35 1.35 ! 0.9528  424:1  Intra  2.54, 2.64 A
assign (resid   26 and name  HB1) (resid   26 and name   HN) 3.15 1.35 1.35 ! 0.6960  425:1  Ambig  3.60, 3.63 A
    or (resid   26 and name  HB1) (resid   34 and name   HN)                ! 0.2005  425:1  -----  4.43, 4.70 A
assign (resid   26 and name  HB2) (resid   26 and name   HN) 2.65 0.85 0.85 ! 0.7516  426:1  Ambig  2.38, 2.43 A
    or (resid   28 and name  HB2) (resid   34 and name   HN)                ! 0.0897  426:1  -----  3.40, 4.58 A
assign (resid   36 and name  HB*) (resid   36 and name   HN) 2.65 0.85 0.85 ! 0.9507  427:1  Intra  2.48, 3.10 A
assign (resid   24 and name HG2*) (resid   24 and name   HN) 3.15 1.35 1.35 ! 0.0000  428:1  Intra  2.96, 3.88 A
assign (resid   36 and name   HG) (resid   36 and name   HN) 3.15 1.35 1.35 ! 0.7593  429:1  Ambig  2.78, 2.91 A
    or (resid   36 and name   HG) (resid   26 and name   HN)                ! 0.1675  429:1  -----  3.57, 3.79 A
assign (resid    1 and name HG2*) (resid   21 and name   HN) 3.65 1.85 1.85 ! 0.9836  430:1  Long   3.01, 5.02 A
assign (resid   28 and name HD1*) (resid   34 and name   HN) 3.65 1.85 1.85 ! 0.9693  431:1  Long   2.48, 4.90 A
assign (resid   36 and name HD2*) (resid   36 and name   HN) 3.15 1.35 1.35 ! 0.5796  432:1  Ambig  3.81, 4.62 A
    or (resid   11 and name HG12) (resid   12 and name   HN)                ! 0.2922  432:1  -----  4.27, 4.51 A
assign (resid   11 and name HG2*) (resid   12 and name   HN) 2.65 0.85 0.85 ! 0.6183  433:1  Ambig  2.99, 3.77 A
    or (resid   28 and name HD2*) (resid   34 and name   HN)                ! 0.1281  433:1  -----  3.89, 5.26 A
    or (resid   36 and name HD1*) (resid   36 and name   HN)                ! 0.0731  433:1  -----  4.27, 4.90 A
assign (resid   23 and name HG2*) (resid   24 and name   HN) 3.15 1.35 1.35 ! 0.0000  434:1  Seq    4.04, 4.72 A
assign (resid   23 and name HG2*) (resid   36 and name   HN) 3.65 1.85 1.85 ! 0.7230  435:1  Ambig  4.88, 5.82 A
    or (resid   11 and name HD1*) (resid   12 and name   HN)                ! 0.2770  435:1  -----  5.73, 6.40 A
assign (resid   21 and name   HA) (resid   22 and name   HN) 2.65 0.85 0.85 ! 0.0000  436:1  Seq    2.11, 2.14 A
assign (resid   24 and name   HA) (resid   25 and name   HN) 3.65 1.85 1.85 ! 0.9963  437:1  Seq    2.10, 2.18 A
assign (resid    6 and name  HA2) (resid    6 and name   HN) 3.65 1.85 1.85 ! 0.9843  438:1  Intra  2.90, 2.93 A
assign (resid    5 and name   HA) (resid    6 and name   HN) 3.15 1.35 1.35 ! 0.8837  439:1  Seq    2.41, 2.69 A
assign (resid    3 and name   HA) (resid    4 and name   HN) 3.65 1.85 1.85 ! 0.7477  440:1  Ambig  2.28, 2.42 A
    or (resid    3 and name   HA) (resid    3 and name   HN)                ! 0.2523  440:1  -----  2.73, 2.85 A
assign (resid    9 and name  HA2) (resid   10 and name   HN) 3.15 1.35 1.35 ! 0.9989  441:1  Seq    2.05, 2.22 A
assign (resid    6 and name  HA2) (resid    7 and name   HN) 3.15 1.35 1.35 ! 0.8947  442:1  Seq    2.29, 2.42 A
assign (resid   21 and name   HA) (resid   21 and name   HN) 3.15 1.35 1.35 ! 0.0000  443:1  Intra  2.70, 2.76 A
assign (resid   16 and name   HA) (resid   17 and name   HN) 3.65 1.85 1.85 ! 0.0000  444:1  Seq    2.12, 2.19 A
assign (resid   31 and name   HA) (resid   11 and name   HN) 3.15 1.35 1.35 ! 0.0000  445:1  Long   1.83, 2.08 A
assign (resid   21 and name  HB*) (resid   22 and name   HN) 3.15 1.35 1.35 ! 0.0000  447:1  Seq    3.31, 3.92 A
assign (resid   24 and name   HB) (resid   25 and name   HN) 3.15 1.35 1.35 ! 0.9969  448:1  Seq    2.79, 3.09 A
assign (resid    3 and name  HB2) (resid    4 and name   HN) 3.15 1.35 1.35 ! 0.6138  449:1  Ambig  2.13, 2.83 A
    or (resid    3 and name  HB2) (resid    3 and name   HN)                ! 0.3850  449:1  -----  2.30, 2.97 A
assign (resid    3 and name  HB1) (resid    4 and name   HN) 3.15 1.35 1.35 ! 0.7684  450:1  Ambig  2.13, 3.00 A
    or (resid    3 and name  HB1) (resid    3 and name   HN)                ! 0.2316  450:1  -----  2.61, 3.14 A
assign (resid   18 and name   HA) (resid   19 and name   HN) 2.65 0.85 0.85 ! 0.9909  451:1  Seq    2.07, 2.13 A
assign (resid   27 and name   HA) (resid   28 and name   HN) 2.30 0.50 0.50 ! 0.8201  452:1  Seq    2.11, 2.17 A
assign (resid   30 and name  HD1) (resid   31 and name   HN) 3.65 1.85 1.85 ! 0.3960  453:1  Ambig  4.12, 4.24 A
    or (resid    3 and name  HB2) (resid    2 and name HE21)                ! 0.2286  453:1  -----  4.51, 5.86 A
    or (resid    1 and name   HA) (resid   19 and name   HN)                ! 0.1532  453:1  -----  4.83, 5.37 A
    or (resid   30 and name  HD1) (resid   29 and name   HN)                ! 0.1453  453:1  -----  4.87, 4.97 A
assign (resid   10 and name  HA1) (resid   10 and name   HN) 2.65 0.85 0.85 ! 0.9766  454:1  Intra  2.35, 2.40 A
assign (resid    5 and name   HA) (resid   35 and name   HN) 3.15 1.35 1.35 ! 0.6329  455:1  Ambig  3.95, 4.14 A
    or (resid    4 and name   HA) (resid   35 and name   HN)                ! 0.2573  455:1  -----  4.58, 4.85 A
assign (resid    1 and name   HA) (resid   17 and name   HN) 4.15 2.35 2.35 ! 0.6805  456:1  Ambig  5.32, 5.79 A
    or (resid    1 and name   HA) (resid   21 and name   HN)                ! 0.3195  456:1  -----  6.03, 6.99 A
assign (resid   20 and name   HA) (resid   21 and name   HN) 2.65 0.85 0.85 ! 0.0000  457:1  Seq    2.15, 2.31 A
assign (resid   21 and name  HB*) (resid   21 and name   HN) 2.65 0.85 0.85 ! 0.5814  458:1  Ambig  2.44, 2.97 A
    or (resid   14 and name  HB2) (resid   14 and name   HN)                ! 0.3688  458:1  -----  2.63, 3.10 A
assign (resid   10 and name  HA1) (resid   11 and name   HN) 2.30 0.50 0.50 ! 0.9973  459:1  Seq    2.39, 2.58 A
assign (resid   22 and name  HA2) (resid   22 and name   HN) 2.65 0.85 0.85 ! 0.0000  461:1  Intra  2.35, 2.40 A
assign (resid    6 and name  HA1) (resid    6 and name   HN) 2.65 0.85 0.85 ! 0.9636  462:1  Intra  2.37, 2.55 A
assign (resid   19 and name  HB1) (resid   19 and name   HN) 3.15 1.35 1.35 ! 0.7140  463:1  Ambig  3.56, 3.60 A
    or (resid   19 and name  HB1) (resid    2 and name HE21)                ! 0.2860  463:1  -----  4.15, 4.67 A
assign (resid    9 and name  HA1) (resid   10 and name   HN) 2.65 0.85 0.85 ! 0.9060  464:1  Seq    3.31, 3.43 A
assign (resid   30 and name  HD2) (resid   31 and name   HN) 3.15 1.35 1.35 ! 0.9363  465:1  Seq    2.96, 3.10 A
assign (resid    6 and name  HA1) (resid    7 and name   HN) 2.65 0.85 0.85 ! 0.6267  466:1  Ambig  2.63, 2.77 A
    or (resid    6 and name  HA1) (resid    2 and name HE21)                ! 0.2429  466:1  -----  3.07, 3.29 A
assign (resid   14 and name  HB1) (resid   14 and name   HN) 3.15 1.35 1.35 ! 0.6252  467:1  Ambig  3.18, 3.68 A
    or (resid  101 and name   H4) (resid   14 and name   HN)                ! 0.1851  467:1  -----  3.89, 5.75 A
assign (resid   11 and name   HA) (resid   11 and name   HN) 3.15 1.35 1.35 ! 0.0000  468:1  Intra  2.78, 2.81 A
assign (resid   25 and name  HB2) (resid   25 and name   HN) 2.65 0.85 0.85 ! 0.0000  469:1  Intra  2.48, 2.61 A
assign (resid   31 and name  HB1) (resid   31 and name   HN) 3.15 1.35 1.35 ! 0.9088  470:1  Intra  3.64, 3.68 A
assign (resid   29 and name  HB*) (resid   29 and name   HN) 3.15 1.35 1.35 ! 0.6539  471:1  Ambig  3.19, 3.64 A
    or (resid   29 and name  HB*) (resid   31 and name   HN)                ! 0.3141  471:1  -----  3.60, 4.31 A
assign (resid   25 and name  HB1) (resid   25 and name   HN) 2.30 0.50 0.50 ! 0.0000  472:1  Intra  2.38, 2.41 A
assign (resid   35 and name  HB2) (resid    6 and name   HN) 3.15 1.35 1.35 ! 0.9741  473:1  Long   2.77, 2.85 A
assign (resid   35 and name  HB1) (resid    6 and name   HN) 3.65 1.85 1.85 ! 0.8141  474:1  Long   4.51, 4.55 A
assign (resid    4 and name  HB1) (resid    4 and name   HN) 2.65 0.85 0.85 ! 0.9946  475:1  Intra  2.52, 2.63 A
assign (resid    4 and name  HB2) (resid    4 and name   HN) 2.65 0.85 0.85 ! 0.9986  476:1  Intra  2.21, 2.35 A
assign (resid   13 and name  HB1) (resid   10 and name   HN) 2.65 0.85 0.85 ! 0.8302  477:1  Mid    1.84, 2.07 A
assign (resid    8 and name  HB1) (resid    2 and name HE21) 3.15 1.35 1.35 ! 0.7512  478:1  Ambig  2.52, 2.91 A
    or (resid   33 and name  HB2) (resid   10 and name   HN)                ! 0.1408  478:1  -----  3.33, 3.67 A
assign (resid   35 and name  HB2) (resid   35 and name   HN) 2.65 0.85 0.85 ! 0.9986  479:1  Intra  2.48, 2.55 A
assign (resid   35 and name  HB1) (resid   35 and name   HN) 2.65 0.85 0.85 ! 0.5907  480:1  Ambig  3.52, 3.53 A
    or (resid   13 and name  HB1) (resid   14 and name   HN)                ! 0.4093  480:1  -----  3.74, 4.07 A
assign (resid    8 and name  HB1) (resid   35 and name   HN) 3.65 1.85 1.85 ! 0.8022  481:1  Long   3.10, 3.49 A
assign (resid    2 and name  HG1) (resid    3 and name   HN) 3.15 1.35 1.35 ! 0.9714  482:1  Seq    2.99, 4.26 A
assign (resid    2 and name  HG1) (resid    2 and name HE21) 3.15 1.35 1.35 ! 0.9860  483:1  Intra  2.20, 2.43 A
assign (resid   32 and name  HB1) (resid   29 and name   HN) 3.65 1.85 1.85 ! 0.7462  484:1  Ambig  3.06, 3.40 A
    or (resid   32 and name  HB1) (resid   28 and name   HN)                ! 0.1754  484:1  -----  3.89, 4.39 A
assign (resid   19 and name  HB2) (resid   25 and name   HN) 3.65 1.85 1.85 ! 0.8518  485:1  Long   3.32, 3.69 A
assign (resid    2 and name  HG2) (resid    3 and name   HN) 3.65 1.85 1.85 ! 0.9965  486:1  Seq    1.87, 3.42 A
assign (resid   19 and name  HB2) (resid   19 and name   HN) 2.30 0.50 0.50 ! 0.8938  487:1  Intra  2.44, 2.53 A
assign (resid   34 and name  HG*) (resid   35 and name   HN) 2.65 0.85 0.85 ! 0.0000  488:1  Seq    2.45, 2.84 A
assign (resid   16 and name  HB1) (resid   17 and name   HN) 3.65 1.85 1.85 ! 0.0000  489:1  Seq    3.66, 4.06 A
assign (resid    7 and name  HB2) (resid    7 and name   HN) 2.30 0.50 0.50 ! 0.7079  490:1  Ambig  2.54, 2.67 A
    or (resid   26 and name  HB1) (resid   27 and name   HN)                ! 0.2557  490:1  -----  3.01, 3.22 A
assign (resid   28 and name  HB2) (resid   28 and name   HN) 2.30 0.50 0.50 ! 0.4035  491:1  Ambig  2.21, 2.46 A
    or (resid   28 and name  HB2) (resid   29 and name   HN)                ! 0.3537  491:1  -----  2.26, 2.67 A
    or (resid   27 and name   HB) (resid   27 and name   HN)                ! 0.2135  491:1  -----  2.46, 2.54 A
assign (resid   28 and name   HG) (resid   28 and name   HN) 2.65 0.85 0.85 ! 0.4773  492:1  Ambig  2.17, 2.83 A
    or (resid   28 and name  HB1) (resid   29 and name   HN)                ! 0.3291  492:1  -----  2.31, 3.40 A
assign (resid    7 and name  HB1) (resid    7 and name   HN) 2.65 0.85 0.85 ! 0.9832  493:1  Intra  2.44, 2.51 A
assign (resid   11 and name HG11) (resid   11 and name   HN) 2.65 0.85 0.85 ! 0.0000  494:1  Intra  1.94, 2.06 A
assign (resid   24 and name HG2*) (resid   25 and name   HN) 3.15 1.35 1.35 ! 0.7785  495:1  Ambig  3.87, 4.68 A
    or (resid   24 and name HG2*) (resid   22 and name   HN)                ! 0.2215  495:1  -----  4.77, 5.85 A
assign (resid   20 and name  HB*) (resid    4 and name   HN) 3.15 1.35 1.35 ! 0.8273  496:1  Long   3.63, 4.74 A
assign (resid   20 and name  HB*) (resid   21 and name   HN) 2.30 0.50 0.50 ! 0.7431  497:1  Ambig  2.13, 3.43 A
    or (resid   17 and name HG2*) (resid   17 and name   HN)                ! 0.2547  497:1  -----  2.55, 3.48 A
assign (resid   11 and name   HB) (resid   11 and name   HN) 2.65 0.85 0.85 ! 0.0000  498:1  Intra  2.42, 2.52 A
assign (resid   18 and name HG1*) (resid   19 and name   HN) 2.65 0.85 0.85 ! 0.9183  499:1  Seq    2.89, 3.70 A
assign (resid   28 and name HD1*) (resid   28 and name   HN) 3.15 1.35 1.35 ! 0.9051  500:1  Intra  1.97, 4.67 A
assign (resid   27 and name HG2*) (resid   27 and name   HN) 2.30 0.50 0.50 ! 0.8898  501:1  Intra  2.03, 3.04 A
assign (resid   11 and name HG12) (resid   11 and name   HN) 2.65 0.85 0.85 ! 0.5783  502:1  Ambig  3.27, 3.38 A
    or (resid   18 and name HG2*) (resid   17 and name   HN)                ! 0.4113  502:1  -----  3.46, 4.78 A
assign (resid   11 and name HG2*) (resid   11 and name   HN) 3.15 1.35 1.35 ! 0.8462  503:1  Intra  4.36, 4.52 A
assign (resid   27 and name HG1*) (resid   29 and name   HN) 2.65 0.85 0.85 ! 0.6479  504:1  Ambig  2.89, 3.92 A
    or (resid   27 and name HG1*) (resid   28 and name   HN)                ! 0.2670  504:1  -----  3.34, 4.13 A
assign (resid   11 and name HD1*) (resid   11 and name   HN) 3.15 1.35 1.35 ! 0.0000  505:1  Intra  3.69, 4.30 A
assign (resid   21 and name   HA) (resid   23 and name   HN) 3.65 1.85 1.85 ! 0.9658  506:1  Mid    3.24, 3.43 A
assign (resid    7 and name   HA) (resid    8 and name   HN) 3.15 1.35 1.35 ! 0.9995  507:1  Seq    2.03, 2.07 A
assign (resid   20 and name   HA) (resid   20 and name   HN) 3.15 1.35 1.35 ! 0.9706  510:1  Intra  2.75, 2.79 A
assign (resid    5 and name   HA) (resid   34 and name HE21) 3.65 1.85 1.85 ! 0.9966  511:1  Long   2.50, 2.90 A
assign (resid   23 and name   HB) (resid   23 and name   HN) 3.65 1.85 1.85 ! 0.7449  512:1  Ambig  3.75, 3.81 A
    or (resid   23 and name   HB) (resid   20 and name   HN)                ! 0.2551  512:1  -----  4.48, 4.75 A
assign (resid   19 and name  HB1) (resid   20 and name   HN) 3.15 1.35 1.35 ! 0.9737  513:1  Seq    2.35, 2.47 A
assign (resid   22 and name  HA2) (resid   23 and name   HN) 3.15 1.35 1.35 ! 0.0000  514:1  Seq    3.08, 3.36 A
assign (resid   11 and name   HA) (resid   13 and name   HN) 3.15 1.35 1.35 ! 0.7616  515:1  Ambig  3.28, 3.45 A
    or (resid  101 and name   H2) (resid   13 and name   HN)                ! 0.2329  515:1  -----  4.00, 6.69 A
assign (resid   12 and name  HA2) (resid   13 and name   HN) 3.15 1.35 1.35 ! 0.0000  516:1  Seq    3.20, 3.35 A
assign (resid  101 and name  H62) (resid   13 and name   HN) 3.65 1.85 1.85 ! 0.3317  517:1  Ambig  3.91, 5.84 A
    or (resid   10 and name  HA1) (resid   13 and name   HN)                ! 0.2236  517:1  -----  4.18, 4.44 A
    or (resid   10 and name  HA1) (resid   32 and name   HN)                ! 0.2172  517:1  -----  4.20, 4.47 A
    or (resid    9 and name  HA1) (resid    8 and name   HN)                ! 0.1072  517:1  -----  4.72, 4.98 A
assign (resid    8 and name  HB2) (resid    8 and name   HN) 3.65 1.85 1.85 ! 0.0000  518:1  Intra  3.51, 3.57 A
assign (resid   29 and name  HB*) (resid   29 and name HD21) 2.30 0.50 0.50 ! 0.0000  519:1  Intra  2.06, 2.74 A
assign (resid    5 and name  HB2) (resid   34 and name HE21) 3.65 1.85 1.85 ! 0.0000  520:1  Long   4.48, 4.83 A
assign (resid   32 and name  HB2) (resid   29 and name HD21) 3.65 1.85 1.85 ! 0.0000  521:1  Mid    3.37, 3.69 A
assign (resid   13 and name  HB1) (resid   13 and name   HN) 2.30 0.50 0.50 ! 0.7441  522:1  Ambig  2.24, 2.50 A
    or (resid   31 and name  HB2) (resid   32 and name   HN)                ! 0.2506  522:1  -----  2.68, 2.85 A
assign (resid    2 and name  HG1) (resid    2 and name HE22) 3.65 1.85 1.85 ! 0.0000  523:1  Intra  3.44, 3.56 A
assign (resid   13 and name  HB2) (resid   13 and name   HN) 2.65 0.85 0.85 ! 0.5932  524:1  Ambig  2.65, 2.87 A
    or (resid    8 and name  HB1) (resid    8 and name   HN)                ! 0.4013  524:1  -----  2.83, 2.92 A
assign (resid   32 and name  HB2) (resid   32 and name   HN) 2.65 0.85 0.85 ! 0.4661  525:1  Ambig  2.62, 2.82 A
    or (resid    8 and name  HB1) (resid    8 and name   HN)                ! 0.2914  525:1  -----  2.83, 2.92 A
    or (resid   33 and name  HB2) (resid    8 and name   HN)                ! 0.2369  525:1  -----  2.93, 3.38 A
assign (resid    5 and name  HB1) (resid   34 and name HE21) 3.15 1.35 1.35 ! 0.0000  526:1  Long   3.18, 3.49 A
assign (resid   32 and name  HB1) (resid   32 and name   HN) 3.15 1.35 1.35 ! 0.9981  527:1  Intra  2.58, 2.68 A
assign (resid   32 and name  HB1) (resid   29 and name HD21) 3.65 1.85 1.85 ! 0.0000  528:1  Mid    2.30, 2.79 A
assign (resid   19 and name  HB2) (resid   20 and name   HN) 3.15 1.35 1.35 ! 0.7713  529:1  Ambig  3.42, 3.53 A
    or (resid   19 and name  HB2) (resid   23 and name   HN)                ! 0.2287  529:1  -----  4.18, 4.34 A
assign (resid    7 and name  HG1) (resid    8 and name   HN) 3.15 1.35 1.35 ! 0.9697  530:1  Seq    2.93, 3.29 A
assign (resid   34 and name  HG*) (resid   34 and name HE21) 2.65 0.85 0.85 ! 0.0000  531:1  Intra  2.16, 2.82 A
assign (resid   28 and name  HB1) (resid   29 and name HD21) 4.15 2.35 2.35 ! 0.9489  533:1  Seq    3.09, 4.39 A
assign (resid   20 and name  HB*) (resid   20 and name   HN) 2.30 0.50 0.50 ! 0.9400  535:1  Intra  2.44, 2.86 A
assign (resid    7 and name  HG2) (resid    8 and name   HN) 3.15 1.35 1.35 ! 0.9423  536:1  Seq    3.12, 3.39 A
assign (resid   23 and name HG2*) (resid   23 and name   HN) 3.15 1.35 1.35 ! 0.9340  537:1  Intra  2.75, 3.72 A
assign (resid   31 and name   HA) (resid   31 and name  HD*) 3.65 1.85 1.85 ! 0.9410  538:1  Intra  2.80, 3.56 A
assign (resid    9 and name  HA2) (resid   13 and name  HD*) 3.15 1.35 1.35 ! 0.0000  539:1  Mid    1.90, 3.65 A
assign (resid   18 and name   HA) (resid   18 and name   HN) 3.15 1.35 1.35 ! 0.9651  540:1  Intra  2.83, 2.90 A
assign (resid    9 and name  HA1) (resid   13 and name  HD*) 3.15 1.35 1.35 ! 0.8972  541:1  Mid    2.68, 5.12 A
assign (resid   30 and name  HD2) (resid   31 and name  HD*) 3.65 1.85 1.85 ! 0.0000  542:1  Seq    3.22, 5.44 A
assign (resid   31 and name  HB1) (resid   31 and name  HD*) 2.65 0.85 0.85 ! 0.0000  543:1  Intra  2.32, 3.06 A
assign (resid   29 and name  HB*) (resid   29 and name HD22) 2.65 0.85 0.85 ! 0.0000  544:1  Intra  3.40, 3.71 A
assign (resid   13 and name  HB2) (resid    7 and name HE21) 3.15 1.35 1.35 ! 0.9808  545:1  Long   3.03, 3.42 A
assign (resid   31 and name  HB2) (resid   31 and name  HD*) 2.30 0.50 0.50 ! 0.0000  547:1  Intra  2.34, 3.04 A
assign (resid   13 and name  HB1) (resid    7 and name HE21) 3.15 1.35 1.35 ! 0.9056  548:1  Long   3.28, 4.04 A
assign (resid   32 and name  HB2) (resid   29 and name HD22) 3.15 1.35 1.35 ! 0.8788  549:1  Mid    1.99, 2.30 A
assign (resid   13 and name  HB1) (resid   13 and name  HD*) 2.30 0.50 0.50 ! 0.9922  550:1  Intra  2.26, 3.05 A
assign (resid   32 and name  HB2) (resid   32 and name  HD*) 2.30 0.50 0.50 ! 0.9769  551:1  Intra  2.42, 3.05 A
assign (resid   13 and name  HB2) (resid   13 and name  HD*) 2.65 0.85 0.85 ! 0.0000  552:1  Intra  2.32, 3.05 A
assign (resid   32 and name  HB1) (resid   29 and name HD22) 3.15 1.35 1.35 ! 0.0000  553:1  Mid    1.80, 2.06 A
assign (resid   32 and name  HB1) (resid   33 and name   HN) 3.65 1.85 1.85 ! 0.0000  554:1  Seq    4.16, 4.26 A
assign (resid   32 and name  HB1) (resid   32 and name  HD*) 2.65 0.85 0.85 ! 0.0000  555:1  Intra  2.27, 3.02 A
assign (resid   26 and name  HG1) (resid   26 and name HE22) 3.65 1.85 1.85 ! 0.0000  556:1  Intra  3.44, 3.53 A
assign (resid    7 and name  HG1) (resid    7 and name HE21) 2.65 0.85 0.85 ! 0.0000  557:1  Intra  2.22, 2.29 A
assign (resid   26 and name  HB2) (resid   26 and name HE21) 3.65 1.85 1.85 ! 0.8755  558:1  Intra  2.91, 3.97 A
assign (resid   26 and name  HG2) (resid   26 and name HE21) 3.15 1.35 1.35 ! 0.9540  559:1  Intra  2.21, 2.84 A
assign (resid   26 and name  HG1) (resid   26 and name HE21) 3.15 1.35 1.35 ! 0.0000  560:1  Intra  2.17, 2.35 A
assign (resid    7 and name  HG1) (resid    7 and name HE22) 3.15 1.35 1.35 ! 0.0000  561:1  Intra  3.46, 3.49 A
assign (resid    7 and name  HG1) (resid   32 and name  HD*) 3.15 1.35 1.35 ! 0.8532  562:1  Long   3.01, 4.64 A
assign (resid   18 and name   HB) (resid   18 and name   HN) 2.65 0.85 0.85 ! 0.9941  563:1  Intra  2.49, 2.54 A
assign (resid   28 and name  HB1) (resid   29 and name HD22) 4.15 2.35 2.35 ! 0.9180  564:1  Seq    4.13, 5.21 A
assign (resid   28 and name  HB2) (resid   32 and name  HD*) 3.15 1.35 1.35 ! 0.0000  565:1  Mid    2.21, 4.36 A
assign (resid   28 and name  HB1) (resid   32 and name  HD*) 3.15 1.35 1.35 ! 0.7285  566:1  Ambig  2.14, 5.36 A
    or (resid   28 and name   HG) (resid   32 and name  HD*)                ! 0.2715  566:1  -----  2.53, 5.36 A
assign (resid   11 and name   HB) (resid   31 and name  HD*) 3.15 1.35 1.35 ! 0.0000  567:1  Long   2.21, 3.82 A
assign (resid   17 and name HG2*) (resid   13 and name  HD*) 3.15 1.35 1.35 ! 0.0000  568:1  Mid    2.94, 6.01 A
assign (resid   18 and name HG2*) (resid   18 and name   HN) 2.65 0.85 0.85 ! 0.9815  569:1  Intra  2.25, 3.27 A
assign (resid    7 and name  HG2) (resid    7 and name HE21) 2.65 0.85 0.85 ! 0.0000  570:1  Intra  2.87, 2.93 A
assign (resid   28 and name HD1*) (resid   32 and name  HD*) 2.65 0.85 0.85 ! 0.9010  571:1  Mid    1.92, 4.94 A
assign (resid   11 and name HD1*) (resid   31 and name  HD*) 3.65 1.85 1.85 ! 0.0000  572:1  Long   3.98, 5.85 A
assign (resid   36 and name   HA) (resid    4 and name  HD2) 3.65 1.85 1.85 ! 0.9879  573:1  Long   1.98, 2.34 A
assign (resid    9 and name  HA2) (resid    9 and name   HN) 3.65 1.85 1.85 ! 0.8756  574:1  Intra  2.62, 2.74 A
assign (resid    5 and name   HA) (resid    5 and name  HD*) 2.65 0.85 0.85 ! 0.5358  575:1  Ambig  2.23, 3.42 A
    or (resid    4 and name   HA) (resid    4 and name  HD2)                ! 0.4111  575:1  -----  2.34, 2.45 A
assign (resid    9 and name  HA1) (resid    9 and name   HN) 3.15 1.35 1.35 ! 0.9386  576:1  Intra  2.72, 2.83 A
assign (resid   33 and name  HB1) (resid    9 and name   HN) 3.15 1.35 1.35 ! 0.6395  577:1  Ambig  3.32, 3.65 A
    or (resid   33 and name  HB1) (resid   33 and name   HN)                ! 0.3266  577:1  -----  3.72, 3.76 A
assign (resid   15 and name  HA1) (resid   13 and name  HE*) 3.15 1.35 1.35 ! 0.9972  578:1  Mid    2.40, 3.88 A
assign (resid    5 and name  HB2) (resid    5 and name  HE*) 3.65 1.85 1.85 ! 0.0000  579:1  Intra  4.58, 5.04 A
assign (resid    5 and name  HB2) (resid    5 and name  HD*) 2.30 0.50 0.50 ! 0.9818  580:1  Intra  2.28, 3.03 A
assign (resid    5 and name  HB2) (resid   34 and name HE22) 3.65 1.85 1.85 ! 0.0000  581:1  Long   4.63, 4.86 A
assign (resid   31 and name  HB1) (resid   31 and name  HE*) 3.65 1.85 1.85 ! 0.0000  582:1  Intra  4.63, 5.06 A
assign (resid    5 and name  HB1) (resid    5 and name  HD*) 2.30 0.50 0.50 ! 0.8099  583:1  Intra  2.30, 3.06 A
assign (resid    4 and name  HB2) (resid    4 and name  HD2) 3.15 1.35 1.35 ! 0.8759  584:1  Intra  3.25, 3.54 A
assign (resid    5 and name  HB1) (resid   34 and name HE22) 3.15 1.35 1.35 ! 0.0000  585:1  Long   2.99, 3.21 A
assign (resid   33 and name  HB2) (resid    9 and name   HN) 2.30 0.50 0.50 ! 0.8420  586:1  Long   1.93, 2.21 A
assign (resid   34 and name  HG*) (resid   34 and name HE22) 3.15 1.35 1.35 ! 0.9814  587:1  Intra  3.43, 3.73 A
assign (resid    7 and name  HG1) (resid    9 and name   HN) 2.65 0.85 0.85 ! 0.0000  588:1  Mid    3.25, 3.42 A
assign (resid    7 and name  HG1) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.0000  589:1  Long   3.67, 5.10 A
assign (resid    7 and name  HB2) (resid   32 and name  HD*) 3.65 1.85 1.85 ! 0.9278  590:1  Long   2.99, 4.74 A
assign (resid    7 and name  HB2) (resid   32 and name  HE*) 2.65 0.85 0.85 ! 0.0000  591:1  Long   2.07, 3.99 A
assign (resid   34 and name  HB1) (resid   32 and name  HE*) 3.15 1.35 1.35 ! 0.9869  592:1  Mid    2.90, 4.75 A
assign (resid    7 and name  HB1) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.0000  593:1  Long   3.63, 5.63 A
assign (resid   34 and name  HB2) (resid   32 and name  HE*) 2.65 0.85 0.85 ! 0.0000  594:1  Mid    1.99, 3.57 A
assign (resid   17 and name HG2*) (resid   13 and name  HE*) 2.65 0.85 0.85 ! 0.0000  595:1  Mid    3.37, 6.28 A
assign (resid   36 and name HD2*) (resid    5 and name  HD*) 2.65 0.85 0.85 ! 0.6582  596:1  Ambig  2.76, 4.93 A
    or (resid   36 and name HD2*) (resid    4 and name  HD2)                ! 0.3418  596:1  -----  3.08, 4.49 A
assign (resid   11 and name HG2*) (resid   31 and name  HE*) 3.15 1.35 1.35 ! 0.7109  597:1  Ambig  2.65, 5.18 A
    or (resid   36 and name HD1*) (resid   26 and name HE22)                ! 0.2891  597:1  -----  3.08, 4.73 A
assign (resid   36 and name HD2*) (resid   34 and name HE22) 3.65 1.85 1.85 ! 0.7114  598:1  Ambig  4.54, 5.41 A
    or (resid   36 and name HD2*) (resid   26 and name HE22)                ! 0.2886  598:1  -----  5.28, 6.74 A
assign (resid    7 and name  HG2) (resid    9 and name   HN) 2.65 0.85 0.85 ! 0.0000  599:1  Mid    2.27, 3.10 A
assign (resid   28 and name HD1*) (resid   32 and name  HE*) 3.15 1.35 1.35 ! 0.9953  600:1  Mid    1.96, 4.87 A
assign (resid   36 and name HD2*) (resid    5 and name  HE*) 3.15 1.35 1.35 ! 0.0000  601:1  Long   2.48, 4.70 A
assign (resid   11 and name HD1*) (resid   31 and name  HE*) 3.15 1.35 1.35 ! 0.0000  602:1  Long   3.93, 5.61 A
assign (resid   27 and name   HA) (resid   33 and name   HA) 3.15 1.35 1.35 ! 0.9996  603:1  Long   1.92, 2.20 A
assign (resid   15 and name  HA2) (resid   15 and name   HN) 3.15 1.35 1.35 ! 0.9976  604:1  Intra  2.81, 2.88 A
assign (resid   30 and name  HD1) (resid   29 and name   HA) 2.65 0.85 0.85 ! 0.0000  605:1  Seq    2.44, 2.61 A
assign (resid   33 and name  HB1) (resid   33 and name   HA) 2.65 0.85 0.85 ! 0.9880  606:1  Intra  2.39, 2.44 A
assign (resid    8 and name  HB2) (resid   35 and name   HA) 3.65 1.85 1.85 ! 0.8848  607:1  Long   4.67, 5.18 A
assign (resid   14 and name  HB2) (resid   14 and name   HA) 2.65 0.85 0.85 ! 0.6778  608:1  Ambig  2.49, 2.87 A
    or (resid  101 and name  H62) (resid   14 and name   HA)                ! 0.3222  608:1  -----  2.82, 6.43 A
assign (resid   15 and name  HA1) (resid   15 and name   HN) 2.65 0.85 0.85 ! 0.9519  609:1  Intra  2.32, 2.65 A
assign (resid   30 and name  HD2) (resid   29 and name   HA) 2.65 0.85 0.85 ! 0.0000  610:1  Seq    3.04, 3.10 A
assign (resid    8 and name  HB2) (resid    8 and name   HA) 2.65 0.85 0.85 ! 0.9980  611:1  Intra  2.46, 2.53 A
assign (resid   29 and name  HB*) (resid   29 and name   HA) 2.30 0.50 0.50 ! 0.0000  612:1  Intra  2.38, 2.50 A
assign (resid    8 and name  HB1) (resid   17 and name   HA) 3.15 1.35 1.35 ! 0.6254  613:1  Ambig  3.90, 4.22 A
    or (resid   13 and name  HB2) (resid  101 and name   H1)                ! 0.1512  613:1  -----  4.94, 7.53 A
    or (resid   13 and name  HB2) (resid   14 and name   HA)                ! 0.0697  613:1  -----  5.62, 5.73 A
assign (resid    8 and name  HB1) (resid    8 and name   HA) 2.30 0.50 0.50 ! 0.8206  614:1  Intra  2.32, 2.34 A
assign (resid   35 and name  HB2) (resid   35 and name   HA) 2.65 0.85 0.85 ! 0.0000  615:1  Intra  2.99, 3.00 A
assign (resid   35 and name  HB1) (resid   35 and name   HA) 2.65 0.85 0.85 ! 0.0000  616:1  Intra  2.35, 2.38 A
assign (resid   28 and name   HG) (resid   33 and name   HA) 3.65 1.85 1.85 ! 0.6512  617:1  Ambig  3.00, 3.76 A
    or (resid   28 and name  HB1) (resid   33 and name   HA)                ! 0.2343  617:1  -----  3.56, 5.16 A
assign (resid   28 and name  HB2) (resid   29 and name   HA) 3.15 1.35 1.35 ! 0.4549  618:1  Ambig  4.57, 4.95 A
    or (resid   30 and name  HG1) (resid   29 and name   HA)                ! 0.3748  618:1  -----  4.72, 4.85 A
assign (resid   27 and name HG1*) (resid   33 and name   HA) 3.65 1.85 1.85 ! 0.0000  619:1  Long   3.57, 4.82 A
assign (resid   27 and name HG1*) (resid   29 and name   HA) 3.15 1.35 1.35 ! 0.0000  620:1  Mid    3.30, 4.46 A
assign (resid   24 and name   HB) (resid   24 and name   HA) 2.65 0.85 0.85 ! 0.9980  621:1  Intra  2.51, 2.54 A
assign (resid   21 and name  HB*) (resid   21 and name   HA) 2.30 0.50 0.50 ! 0.9911  623:1  Intra  2.38, 2.72 A
assign (resid   23 and name   HB) (resid   23 and name   HA) 2.65 0.85 0.85 ! 0.0000  624:1  Intra  2.45, 2.49 A
assign (resid  101 and name   H4) (resid  101 and name   H1) 2.65 0.85 0.85 ! 0.4669  625:1  Ambig  2.14, 3.75 A
    or (resid   14 and name  HB1) (resid   14 and name   HA)                ! 0.2710  625:1  -----  2.34, 2.42 A
    or (resid   14 and name  HB1) (resid  101 and name   H1)                ! 0.2433  625:1  -----  2.38, 2.87 A
assign (resid    8 and name  HB2) (resid   17 and name   HA) 3.15 1.35 1.35 ! 0.9968  626:1  Long   2.51, 2.83 A
assign (resid   19 and name  HB1) (resid   19 and name   HA) 2.65 0.85 0.85 ! 0.0000  627:1  Intra  2.35, 2.41 A
assign (resid    8 and name  HB2) (resid   17 and name   HB) 3.65 1.85 1.85 ! 0.5566  628:1  Ambig  3.46, 4.29 A
    or (resid    8 and name  HB2) (resid   25 and name   HA)                ! 0.4375  628:1  -----  3.60, 4.06 A
assign (resid   16 and name  HD1) (resid   16 and name   HA) 3.15 1.35 1.35 ! 0.7266  629:1  Ambig  3.68, 3.86 A
    or (resid   19 and name  HB1) (resid   24 and name   HA)                ! 0.2481  629:1  -----  4.40, 4.73 A
assign (resid    3 and name  HB2) (resid    3 and name   HA) 2.65 0.85 0.85 ! 0.9937  630:1  Intra  2.50, 2.73 A
assign (resid  101 and name  H61) (resid   12 and name  HA1) 3.65 1.85 1.85 ! 0.6955  632:1  Ambig  3.17, 4.93 A
    or (resid  101 and name   H3) (resid   12 and name  HA1)                ! 0.3045  632:1  -----  3.64, 6.47 A
assign (resid   16 and name  HD2) (resid   16 and name   HA) 3.65 1.85 1.85 ! 0.0000  634:1  Intra  3.88, 3.91 A
assign (resid   25 and name  HB2) (resid   17 and name   HA) 3.65 1.85 1.85 ! 0.6227  638:1  Ambig  4.48, 4.93 A
    or (resid   25 and name  HB2) (resid   19 and name   HA)                ! 0.3528  638:1  -----  4.92, 5.17 A
assign (resid   35 and name  HB2) (resid    4 and name   HA) 2.65 0.85 0.85 ! 0.9502  639:1  Long   2.38, 2.55 A
assign (resid   25 and name  HB2) (resid   25 and name   HA) 2.65 0.85 0.85 ! 0.9944  640:1  Intra  2.43, 2.45 A
assign (resid   35 and name  HB2) (resid   23 and name   HB) 2.65 0.85 0.85 ! 0.0000  641:1  Long   3.21, 3.50 A
assign (resid   31 and name  HB1) (resid   31 and name   HA) 2.65 0.85 0.85 ! 0.0000  642:1  Intra  2.40, 2.46 A
assign (resid   35 and name  HB2) (resid   19 and name  HB1) 2.65 0.85 0.85 ! 0.0000  643:1  Long   3.44, 3.50 A
assign (resid   35 and name  HB2) (resid   36 and name   HA) 4.15 2.35 2.35 ! 0.8837  644:1  Seq    4.59, 4.61 A
assign (resid   35 and name  HB1) (resid    4 and name   HA) 2.65 0.85 0.85 ! 0.9589  645:1  Long   3.01, 3.22 A
assign (resid   33 and name  HB2) (resid    9 and name  HA2) 3.15 1.35 1.35 ! 0.4118  646:1  Ambig  3.96, 4.24 A
    or (resid   33 and name  HB2) (resid    7 and name   HA)                ! 0.3007  646:1  -----  4.17, 4.53 A
    or (resid    8 and name  HB1) (resid    7 and name   HA)                ! 0.2178  646:1  -----  4.40, 4.61 A
assign (resid    5 and name  HB2) (resid    5 and name   HA) 2.65 0.85 0.85 ! 0.8941  647:1  Intra  2.96, 3.01 A
assign (resid   32 and name  HB2) (resid   32 and name   HA) 2.65 0.85 0.85 ! 0.8275  648:1  Intra  2.44, 2.48 A
assign (resid   13 and name  HB2) (resid   13 and name   HA) 2.65 0.85 0.85 ! 0.9923  649:1  Intra  2.36, 2.47 A
assign (resid   13 and name  HB1) (resid   13 and name   HA) 2.65 0.85 0.85 ! 0.7623  650:1  Ambig  3.01, 3.03 A
    or (resid   35 and name  HB1) (resid   25 and name   HA)                ! 0.1125  650:1  -----  4.14, 4.28 A
assign (resid   25 and name  HB1) (resid   25 and name   HA) 2.65 0.85 0.85 ! 0.7997  651:1  Ambig  3.00, 3.01 A
    or (resid   25 and name  HB1) (resid   17 and name   HB)                ! 0.1446  651:1  -----  3.99, 5.56 A
assign (resid   31 and name  HB2) (resid   31 and name   HA) 2.65 0.85 0.85 ! 0.9120  652:1  Intra  3.00, 3.01 A
assign (resid    5 and name  HB1) (resid    5 and name   HA) 2.30 0.50 0.50 ! 0.7876  653:1  Ambig  2.39, 2.52 A
    or (resid    4 and name  HB1) (resid    4 and name   HA)                ! 0.2023  653:1  -----  3.00, 3.02 A
assign (resid    4 and name  HB2) (resid    4 and name   HA) 2.65 0.85 0.85 ! 0.9955  654:1  Intra  2.52, 2.56 A
assign (resid   32 and name  HB1) (resid   32 and name   HA) 3.15 1.35 1.35 ! 0.0000  655:1  Intra  2.98, 3.01 A
assign (resid   26 and name  HG2) (resid   26 and name   HA) 2.65 0.85 0.85 ! 0.8009  656:1  Intra  2.39, 2.57 A
assign (resid   26 and name  HG1) (resid   26 and name   HA) 3.15 1.35 1.35 ! 0.9035  657:1  Intra  2.75, 3.16 A
assign (resid   19 and name  HB2) (resid   24 and name   HA) 2.65 0.85 0.85 ! 0.9170  658:1  Long   2.94, 3.37 A
assign (resid   16 and name  HB1) (resid   16 and name   HA) 2.30 0.50 0.50 ! 0.0000  659:1  Intra  2.26, 2.29 A
assign (resid   30 and name  HG2) (resid   31 and name   HA) 4.15 2.35 2.35 ! 0.0000  660:1  Seq    4.81, 5.32 A
assign (resid   34 and name  HG*) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.0000  661:1  Long   3.63, 4.81 A
assign (resid    7 and name  HG1) (resid    7 and name   HA) 2.65 0.85 0.85 ! 0.9630  662:1  Intra  2.49, 2.56 A
assign (resid   30 and name  HB1) (resid   30 and name   HA) 2.30 0.50 0.50 ! 0.9953  663:1  Intra  2.21, 2.24 A
assign (resid   28 and name  HB2) (resid   28 and name   HA) 2.65 0.85 0.85 ! 0.9604  664:1  Intra  2.57, 2.95 A
assign (resid   28 and name   HG) (resid   28 and name   HA) 2.30 0.50 0.50 ! 0.4703  665:1  Ambig  2.39, 3.12 A
    or (resid   28 and name  HB1) (resid   28 and name   HA)                ! 0.4235  665:1  -----  2.43, 2.58 A
assign (resid   26 and name  HB1) (resid   26 and name   HA) 2.65 0.85 0.85 ! 0.9551  666:1  Intra  2.46, 2.51 A
assign (resid   26 and name  HB2) (resid   26 and name   HA) 2.65 0.85 0.85 ! 0.8089  667:1  Intra  2.98, 3.00 A
assign (resid   16 and name  HG2) (resid   16 and name   HA) 3.15 1.35 1.35 ! 0.7454  668:1  Ambig  3.93, 4.02 A
    or (resid   18 and name   HB) (resid   16 and name   HA)                ! 0.2546  668:1  -----  4.70, 5.08 A
assign (resid   16 and name  HB2) (resid   16 and name   HA) 3.15 1.35 1.35 ! 0.0000  669:1  Intra  2.82, 2.93 A
assign (resid    7 and name  HB2) (resid    7 and name   HA) 2.65 0.85 0.85 ! 0.9949  670:1  Intra  2.42, 2.47 A
assign (resid   30 and name  HG1) (resid   30 and name   HA) 3.15 1.35 1.35 ! 0.9758  671:1  Intra  3.55, 3.74 A
assign (resid   34 and name  HG*) (resid    5 and name   HA) 2.65 0.85 0.85 ! 0.9236  672:1  Long   2.23, 2.54 A
assign (resid   36 and name  HB*) (resid   36 and name   HA) 2.30 0.50 0.50 ! 0.9944  673:1  Intra  2.47, 2.76 A
assign (resid    7 and name  HB1) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.9695  675:1  Intra  3.00, 3.02 A
assign (resid   17 and name HG2*) (resid   17 and name   HA) 2.65 0.85 0.85 ! 0.9091  676:1  Intra  2.29, 2.96 A
assign (resid   17 and name HG2*) (resid   17 and name   HB) 2.30 0.50 0.50 ! 0.9716  677:1  Intra  2.43, 2.65 A
assign (resid   24 and name HG2*) (resid   24 and name   HA) 2.65 0.85 0.85 ! 0.9984  678:1  Intra  2.38, 3.00 A
assign (resid   11 and name   HB) (resid   31 and name   HA) 3.15 1.35 1.35 ! 0.0000  679:1  Long   2.24, 2.74 A
assign (resid   30 and name  HB2) (resid   30 and name   HA) 2.65 0.85 0.85 ! 0.9671  680:1  Intra  2.75, 2.82 A
assign (resid   28 and name HD1*) (resid   28 and name   HA) 3.65 1.85 1.85 ! 0.9527  681:1  Intra  3.39, 4.61 A
assign (resid   28 and name HD2*) (resid   28 and name   HA) 2.65 0.85 0.85 ! 0.9941  682:1  Intra  2.05, 3.14 A
assign (resid   36 and name HD2*) (resid   36 and name   HA) 2.30 0.50 0.50 ! 0.9898  683:1  Intra  2.08, 2.94 A
assign (resid   27 and name HG2*) (resid   33 and name  HB2) 3.15 1.35 1.35 ! 0.8180  684:1  Long   3.84, 5.11 A
assign (resid    7 and name  HG2) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.5173  685:1  Ambig  3.09, 3.17 A
    or (resid    7 and name  HG2) (resid    9 and name  HA2)                ! 0.4683  685:1  -----  3.14, 3.81 A
assign (resid   18 and name HG2*) (resid   18 and name   HA) 2.30 0.50 0.50 ! 0.4166  686:1  Ambig  2.49, 3.15 A
    or (resid   18 and name HG1*) (resid   18 and name   HA)                ! 0.4076  686:1  -----  2.50, 3.13 A
assign (resid   23 and name HG2*) (resid   23 and name   HA) 2.65 0.85 0.85 ! 0.0000  687:1  Intra  2.51, 3.10 A
assign (resid   23 and name HG2*) (resid   36 and name   HA) 3.65 1.85 1.85 ! 0.9615  688:1  Long   3.72, 5.02 A
assign (resid   23 and name HG2*) (resid    4 and name   HA) 3.15 1.35 1.35 ! 0.9978  689:1  Long   2.30, 3.52 A
assign (resid   21 and name   HA) (resid   21 and name  HB*) 3.15 1.35 1.35 ! 0.9883  690:1  Intra  2.38, 2.72 A
assign (resid   33 and name  HB1) (resid   27 and name   HA) 2.30 0.50 0.50 ! 0.9090  699:1  Long   2.41, 2.72 A
assign (resid  101 and name   H5) (resid  101 and name  H62) 2.65 0.85 0.85 ! 0.8707  702:1  Intra  2.29, 2.47 A
assign (resid  101 and name   H5) (resid  101 and name  H61) 2.65 0.85 0.85 ! 0.4233  703:1  Ambig  2.44, 2.73 A
    or (resid  101 and name   H5) (resid  101 and name   H3)                ! 0.4053  703:1  -----  2.46, 3.18 A
assign (resid  101 and name   H4) (resid   12 and name  HA2) 2.65 0.85 0.85 ! 0.4001  704:1  Ambig  2.16, 4.57 A
    or (resid  101 and name   H4) (resid  101 and name  H61)                ! 0.3678  704:1  -----  2.19, 2.65 A
    or (resid  101 and name   H4) (resid  101 and name   H3)                ! 0.1693  704:1  -----  2.49, 2.87 A
assign (resid   29 and name  HB*) (resid   30 and name  HD1) 2.30 0.50 0.50 ! 0.0000  705:1  Seq    2.85, 3.51 A
assign (resid   29 and name  HB*) (resid   30 and name  HD2) 2.30 0.50 0.50 ! 0.0000  707:1  Seq    1.83, 2.71 A
assign (resid   33 and name  HB2) (resid   10 and name  HA1) 2.65 0.85 0.85 ! 0.6382  708:1  Ambig  3.30, 3.73 A
    or (resid   33 and name  HB2) (resid    9 and name  HA1)                ! 0.2969  708:1  -----  3.75, 4.03 A
assign (resid    8 and name  HB1) (resid   25 and name  HB2) 2.65 0.85 0.85 ! 0.0000  711:1  Long   3.05, 3.31 A
assign (resid    2 and name  HG1) (resid   16 and name  HD2) 3.15 1.35 1.35 ! 0.8163  712:1  Long   3.35, 4.32 A
assign (resid   19 and name  HB2) (resid   18 and name   HA) 3.65 1.85 1.85 ! 0.4223  713:1  Ambig  4.48, 4.63 A
    or (resid   19 and name  HB2) (resid   20 and name   HA)                ! 0.2154  713:1  -----  5.02, 5.20 A
    or (resid   19 and name  HB2) (resid    1 and name   HB)                ! 0.1976  713:1  -----  5.09, 5.85 A
assign (resid   18 and name   HB) (resid   18 and name   HA) 2.65 0.85 0.85 ! 0.7526  715:1  Ambig  3.03, 3.04 A
    or (resid   18 and name   HB) (resid    1 and name   HB)                ! 0.2023  715:1  -----  3.77, 4.84 A
assign (resid   27 and name   HB) (resid   27 and name   HA) 2.65 0.85 0.85 ! 0.8479  716:1  Intra  3.03, 3.04 A
assign (resid   28 and name   HG) (resid   27 and name   HA) 3.65 1.85 1.85 ! 0.6685  717:1  Ambig  3.92, 4.55 A
    or (resid   28 and name  HB1) (resid   27 and name   HA)                ! 0.2540  717:1  -----  4.61, 5.58 A
assign (resid   30 and name  HG2) (resid   30 and name  HD1) 2.65 0.85 0.85 ! 0.0000  718:1  Intra  2.87, 2.93 A
assign (resid   30 and name  HG1) (resid   30 and name  HD1) 2.65 0.85 0.85 ! 0.9839  719:1  Intra  2.27, 2.31 A
assign (resid   30 and name  HG2) (resid   30 and name  HD2) 2.65 0.85 0.85 ! 0.0000  720:1  Intra  2.18, 2.20 A
assign (resid   30 and name  HG1) (resid   30 and name  HD2) 2.65 0.85 0.85 ! 0.0000  721:1  Intra  2.69, 2.76 A
assign (resid   16 and name  HG2) (resid   16 and name  HD1) 2.30 0.50 0.50 ! 0.9968  722:1  Intra  2.65, 2.68 A
assign (resid   16 and name  HG2) (resid   16 and name  HD2) 2.30 0.50 0.50 ! 0.9981  723:1  Intra  2.29, 2.32 A
assign (resid   11 and name HG11) (resid   11 and name   HA) 3.15 1.35 1.35 ! 0.9069  724:1  Intra  2.90, 2.97 A
assign (resid    1 and name HG2*) (resid    1 and name   HB) 2.65 0.85 0.85 ! 0.9799  725:1  Intra  2.42, 2.65 A
assign (resid   20 and name  HB*) (resid   20 and name   HA) 2.30 0.50 0.50 ! 0.9745  726:1  Intra  2.43, 2.64 A
assign (resid   24 and name HG2*) (resid   24 and name   HB) 2.30 0.50 0.50 ! 0.0000  727:1  Intra  2.43, 2.65 A
assign (resid    1 and name HG2*) (resid    1 and name   HA) 2.65 0.85 0.85 ! 0.9582  728:1  Intra  2.36, 2.98 A
assign (resid   27 and name HG2*) (resid   27 and name   HA) 2.30 0.50 0.50 ! 0.9645  729:1  Intra  2.54, 3.20 A
assign (resid   11 and name HG2*) (resid   11 and name   HA) 2.65 0.85 0.85 ! 0.9736  730:1  Intra  2.50, 3.14 A
assign (resid   27 and name HG1*) (resid   27 and name   HA) 2.65 0.85 0.85 ! 0.0000  731:1  Intra  2.51, 3.13 A
assign (resid   23 and name HG2*) (resid   23 and name   HB) 2.30 0.50 0.50 ! 0.9739  732:1  Intra  2.39, 2.63 A
assign (resid    9 and name  HA2) (resid   13 and name  HB2) 3.65 1.85 1.85 ! 0.6693  734:1  Ambig  3.02, 4.03 A
    or (resid    9 and name  HA2) (resid   33 and name  HB2)                ! 0.1322  734:1  -----  3.96, 4.24 A
assign (resid    5 and name   HA) (resid    5 and name  HB2) 3.15 1.35 1.35 ! 0.9362  735:1  Intra  2.96, 3.01 A
assign (resid   30 and name  HD1) (resid   29 and name  HB*) 2.65 0.85 0.85 ! 0.0000  736:1  Seq    2.85, 3.51 A
assign (resid    5 and name   HA) (resid    5 and name  HB1) 2.65 0.85 0.85 ! 0.7876  737:1  Ambig  2.39, 2.52 A
    or (resid    4 and name   HA) (resid    4 and name  HB1)                ! 0.2023  737:1  -----  3.00, 3.02 A
assign (resid    4 and name   HA) (resid    4 and name  HB2) 2.65 0.85 0.85 ! 0.9955  738:1  Intra  2.52, 2.56 A
assign (resid   30 and name  HD2) (resid   29 and name  HB*) 2.65 0.85 0.85 ! 0.0000  739:1  Seq    1.83, 2.71 A
assign (resid   19 and name  HB1) (resid   35 and name  HB2) 2.65 0.85 0.85 ! 0.0000  740:1  Long   3.44, 3.50 A
assign (resid   19 and name  HB1) (resid   35 and name  HB1) 3.15 1.35 1.35 ! 0.9982  741:1  Long   2.10, 2.16 A
assign (resid    6 and name  HA1) (resid    2 and name  HG1) 3.65 1.85 1.85 ! 0.0000  743:1  Mid    4.30, 4.49 A
assign (resid    8 and name  HB2) (resid   25 and name  HB2) 3.15 1.35 1.35 ! 0.0000  744:1  Long   2.31, 2.75 A
assign (resid   23 and name HG2*) (resid    4 and name  HB2) 3.15 1.35 1.35 ! 0.0000  756:1  Long   2.01, 3.00 A
assign (resid   16 and name   HA) (resid   16 and name  HB1) 3.65 1.85 1.85 ! 0.0000  757:1  Intra  2.26, 2.29 A
assign (resid   10 and name  HA1) (resid   33 and name  HB2) 2.65 0.85 0.85 ! 0.4174  758:1  Ambig  3.30, 3.73 A
    or (resid   10 and name  HA1) (resid   13 and name  HB2)                ! 0.2658  758:1  -----  3.56, 4.25 A
    or (resid    9 and name  HA1) (resid   33 and name  HB2)                ! 0.1942  758:1  -----  3.75, 4.03 A
assign (resid    7 and name   HA) (resid    7 and name  HG1) 3.65 1.85 1.85 ! 0.0000  759:1  Intra  2.49, 2.56 A
assign (resid   30 and name   HA) (resid   30 and name  HB1) 3.15 1.35 1.35 ! 0.9874  760:1  Intra  2.21, 2.24 A
assign (resid    7 and name   HA) (resid    7 and name  HB2) 3.65 1.85 1.85 ! 0.9178  761:1  Intra  2.42, 2.47 A
assign (resid    5 and name   HA) (resid   34 and name  HG*) 3.15 1.35 1.35 ! 0.9928  762:1  Long   2.23, 2.54 A
assign (resid   30 and name  HD1) (resid   30 and name  HG2) 3.15 1.35 1.35 ! 0.9478  763:1  Intra  2.87, 2.93 A
assign (resid    6 and name  HA1) (resid    2 and name  HG2) 3.65 1.85 1.85 ! 0.9837  765:1  Mid    3.43, 4.71 A
assign (resid   30 and name  HD2) (resid   30 and name  HG2) 2.65 0.85 0.85 ! 0.0000  766:1  Intra  2.18, 2.20 A
assign (resid   26 and name  HB1) (resid   26 and name  HG2) 2.30 0.50 0.50 ! 0.4305  769:1  Ambig  2.40, 2.58 A
    or (resid    7 and name  HB2) (resid    7 and name  HG1)                ! 0.3998  769:1  -----  2.43, 2.48 A
assign (resid   26 and name  HB2) (resid   26 and name  HG1) 2.65 0.85 0.85 ! 0.9986  770:1  Intra  2.36, 2.42 A
assign (resid   30 and name  HG1) (resid   30 and name  HB1) 2.30 0.50 0.50 ! 0.6467  773:1  Ambig  2.24, 2.26 A
    or (resid    2 and name  HB1) (resid    2 and name  HG2)                ! 0.3448  773:1  -----  2.49, 2.97 A
assign (resid   34 and name  HB2) (resid   34 and name  HG*) 2.30 0.50 0.50 ! 0.9980  775:1  Intra  2.47, 2.75 A
assign (resid   11 and name HD1*) (resid   30 and name  HB1) 3.15 1.35 1.35 ! 0.9904  779:1  Long   2.41, 3.52 A
assign (resid   30 and name   HA) (resid   30 and name  HG1) 3.65 1.85 1.85 ! 0.8280  780:1  Intra  3.55, 3.74 A
assign (resid    7 and name   HA) (resid    7 and name  HB1) 3.65 1.85 1.85 ! 0.0000  781:1  Intra  3.00, 3.02 A
assign (resid   18 and name   HA) (resid   18 and name   HB) 3.15 1.35 1.35 ! 0.9540  782:1  Intra  3.03, 3.04 A
assign (resid    1 and name   HA) (resid   18 and name   HB) 3.65 1.85 1.85 ! 0.9590  783:1  Long   2.92, 3.38 A
assign (resid   27 and name   HA) (resid   27 and name   HB) 3.15 1.35 1.35 ! 0.8377  784:1  Intra  3.03, 3.04 A
assign (resid   30 and name  HD1) (resid   30 and name  HG1) 3.15 1.35 1.35 ! 0.9810  785:1  Intra  2.27, 2.31 A
assign (resid   16 and name  HD1) (resid   16 and name  HG1) 2.30 0.50 0.50 ! 0.7130  786:1  Ambig  2.28, 2.31 A
    or (resid   16 and name  HD1) (resid   16 and name  HG2)                ! 0.2861  786:1  -----  2.65, 2.68 A
assign (resid   15 and name  HA1) (resid   16 and name  HG1) 3.15 1.35 1.35 ! 0.6057  787:1  Ambig  4.14, 4.35 A
    or (resid   15 and name  HA1) (resid   16 and name  HG2)                ! 0.3943  787:1  -----  4.45, 4.55 A
assign (resid   16 and name  HD2) (resid   16 and name  HG2) 2.65 0.85 0.85 ! 0.8230  788:1  Intra  2.29, 2.32 A
assign (resid   30 and name  HD2) (resid   30 and name  HG1) 2.65 0.85 0.85 ! 0.9935  789:1  Intra  2.69, 2.76 A
assign (resid   16 and name  HD2) (resid   16 and name  HB2) 3.65 1.85 1.85 ! 0.7635  790:1  Ambig  2.86, 3.00 A
    or (resid   16 and name  HD2) (resid    2 and name  HB2)                ! 0.2000  790:1  -----  3.57, 4.53 A
assign (resid   16 and name  HD1) (resid   16 and name  HB2) 3.15 1.35 1.35 ! 0.9676  791:1  Intra  3.84, 3.92 A
assign (resid   11 and name   HA) (resid   11 and name HG11) 3.15 1.35 1.35 ! 0.9957  792:1  Intra  2.90, 2.97 A
assign (resid    2 and name  HG1) (resid    2 and name  HB2) 2.65 0.85 0.85 ! 0.5081  794:1  Ambig  2.38, 2.43 A
    or (resid    2 and name  HG1) (resid    2 and name  HB1)                ! 0.4919  794:1  -----  2.39, 2.50 A
assign (resid   30 and name  HB1) (resid   30 and name  HG1) 2.30 0.50 0.50 ! 0.6023  795:1  Ambig  2.24, 2.26 A
    or (resid   26 and name  HG2) (resid   26 and name  HB2)                ! 0.3874  795:1  -----  2.41, 2.89 A
assign (resid   34 and name  HG*) (resid   34 and name  HB2) 2.30 0.50 0.50 ! 0.0000  797:1  Intra  2.47, 2.75 A
assign (resid   34 and name  HG*) (resid   36 and name   HG) 2.65 0.85 0.85 ! 0.0000  798:1  Mid    2.46, 3.68 A
assign (resid   16 and name  HG2) (resid   16 and name  HB2) 2.30 0.50 0.50 ! 0.7282  800:1  Ambig  2.25, 2.31 A
    or (resid   16 and name  HG2) (resid    2 and name  HB2)                ! 0.2549  800:1  -----  2.68, 4.11 A
assign (resid   36 and name HD2*) (resid   34 and name  HG*) 3.15 1.35 1.35 ! 0.9955  807:1  Mid    2.33, 3.92 A
assign (resid   18 and name HG2*) (resid   18 and name   HB) 2.30 0.50 0.50 ! 0.5133  808:1  Ambig  2.41, 2.64 A
    or (resid   18 and name HG1*) (resid   18 and name   HB)                ! 0.4867  808:1  -----  2.43, 2.64 A
assign (resid   36 and name HD1*) (resid   26 and name  HB2) 2.30 0.50 0.50 ! 0.4766  809:1  Ambig  2.21, 3.45 A
    or (resid   27 and name HG2*) (resid   27 and name   HB)                ! 0.2856  809:1  -----  2.41, 2.63 A
    or (resid   28 and name HD2*) (resid   28 and name  HB2)                ! 0.1177  809:1  -----  2.79, 3.86 A
assign (resid   36 and name HD2*) (resid   34 and name  HB1) 3.15 1.35 1.35 ! 0.9752  811:1  Mid    3.18, 4.37 A
assign (resid   27 and name HG1*) (resid   27 and name   HB) 2.30 0.50 0.50 ! 0.9801  813:1  Intra  2.42, 2.64 A
assign (resid   11 and name HD1*) (resid   11 and name HG11) 2.30 0.50 0.50 ! 0.0000  815:1  Intra  2.38, 2.62 A
assign (resid   31 and name   HA) (resid   11 and name   HB) 3.15 1.35 1.35 ! 0.7519  816:1  Ambig  2.24, 2.74 A
    or (resid    3 and name   HA) (resid   20 and name  HB*)                ! 0.2481  816:1  -----  2.70, 3.67 A
assign (resid   30 and name   HA) (resid   30 and name  HB2) 3.15 1.35 1.35 ! 0.9671  817:1  Intra  2.75, 2.82 A
assign (resid   20 and name   HA) (resid   20 and name  HB*) 2.65 0.85 0.85 ! 0.0000  818:1  Intra  2.43, 2.64 A
assign (resid   21 and name  HB*) (resid   20 and name  HB*) 3.15 1.35 1.35 ! 0.6751  819:1  Ambig  3.95, 5.88 A
    or (resid   10 and name  HA1) (resid   11 and name   HB)                ! 0.2441  819:1  -----  4.68, 4.86 A
assign (resid   20 and name   HA) (resid    1 and name HG2*) 2.65 0.85 0.85 ! 0.0000  820:1  Long   2.35, 3.54 A
assign (resid    1 and name   HA) (resid    1 and name HG2*) 2.65 0.85 0.85 ! 0.9582  821:1  Intra  2.36, 2.98 A
assign (resid   24 and name   HB) (resid   24 and name HG2*) 2.65 0.85 0.85 ! 0.0000  822:1  Intra  2.43, 2.65 A
assign (resid   18 and name   HA) (resid   18 and name HG2*) 2.30 0.50 0.50 ! 0.4697  823:1  Ambig  2.49, 3.15 A
    or (resid   18 and name   HA) (resid   18 and name HG1*)                ! 0.4596  823:1  -----  2.50, 3.13 A
assign (resid    1 and name   HA) (resid   18 and name HG1*) 3.15 1.35 1.35 ! 0.9456  824:1  Long   3.21, 4.85 A
assign (resid   27 and name   HA) (resid   27 and name HG2*) 2.65 0.85 0.85 ! 0.9645  825:1  Intra  2.54, 3.20 A
assign (resid   27 and name   HA) (resid   27 and name HG1*) 3.15 1.35 1.35 ! 0.0000  826:1  Intra  2.51, 3.13 A
assign (resid    9 and name  HA1) (resid   17 and name HG2*) 2.65 0.85 0.85 ! 0.9398  827:1  Long   1.92, 3.24 A
assign (resid   30 and name  HD2) (resid   30 and name  HB2) 3.15 1.35 1.35 ! 0.0000  828:1  Intra  3.61, 3.77 A
assign (resid   11 and name   HA) (resid   11 and name HG12) 3.15 1.35 1.35 ! 0.0000  829:1  Intra  2.51, 2.57 A
assign (resid   11 and name   HA) (resid   11 and name HG2*) 2.65 0.85 0.85 ! 0.9923  830:1  Intra  2.50, 3.14 A
assign (resid   12 and name  HA2) (resid   11 and name HG2*) 3.15 1.35 1.35 ! 0.0000  831:1  Seq    3.82, 4.76 A
assign (resid   33 and name  HB1) (resid   27 and name HG2*) 3.65 1.85 1.85 ! 0.9926  832:1  Long   2.74, 3.88 A
assign (resid    7 and name  HB2) (resid    7 and name  HG2) 2.65 0.85 0.85 ! 0.8545  835:1  Intra  3.00, 3.01 A
assign (resid   30 and name  HG2) (resid   30 and name  HB2) 2.65 0.85 0.85 ! 0.0000  836:1  Intra  2.22, 2.25 A
assign (resid   30 and name  HG1) (resid   30 and name  HB2) 3.15 1.35 1.35 ! 0.9736  837:1  Intra  2.68, 2.78 A
assign (resid   28 and name   HG) (resid   28 and name HD1*) 2.65 0.85 0.85 ! 0.5326  838:1  Ambig  2.38, 2.62 A
    or (resid   28 and name  HB1) (resid   28 and name HD1*)                ! 0.4674  838:1  -----  2.43, 3.11 A
assign (resid   18 and name   HB) (resid   18 and name HG2*) 2.30 0.50 0.50 ! 0.5133  839:1  Ambig  2.41, 2.64 A
    or (resid   18 and name   HB) (resid   18 and name HG1*)                ! 0.4867  839:1  -----  2.43, 2.64 A
assign (resid   26 and name  HB2) (resid   36 and name HD1*) 2.30 0.50 0.50 ! 0.4766  840:1  Ambig  2.21, 3.45 A
    or (resid   27 and name   HB) (resid   27 and name HG2*)                ! 0.2856  840:1  -----  2.41, 2.63 A
    or (resid   28 and name  HB2) (resid   28 and name HD2*)                ! 0.1177  840:1  -----  2.79, 3.86 A
assign (resid   28 and name  HB1) (resid   28 and name HD2*) 2.65 0.85 0.85 ! 0.5161  841:1  Ambig  2.32, 3.18 A
    or (resid   28 and name   HG) (resid   28 and name HD2*)                ! 0.4368  841:1  -----  2.38, 2.63 A
assign (resid   27 and name   HB) (resid   27 and name HG1*) 2.30 0.50 0.50 ! 0.9859  843:1  Intra  2.42, 2.64 A
assign (resid    7 and name  HB1) (resid    7 and name  HG2) 3.15 1.35 1.35 ! 0.0000  845:1  Intra  2.38, 2.42 A
assign (resid   36 and name  HB*) (resid   36 and name HD1*) 2.30 0.50 0.50 ! 0.9861  846:1  Intra  2.44, 3.07 A
assign (resid   11 and name HD1*) (resid   11 and name   HB) 2.30 0.50 0.50 ! 0.7650  847:1  Ambig  2.51, 3.13 A
    or (resid   23 and name HG2*) (resid   20 and name  HB*)                ! 0.2350  847:1  -----  3.06, 5.11 A
assign (resid   11 and name HD1*) (resid   11 and name HG2*) 2.30 0.50 0.50 ! 0.0000  849:1  Intra  2.04, 3.71 A
assign (resid    4 and name   HA) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.9978  850:1  Long   2.30, 3.52 A
assign (resid   23 and name   HB) (resid   23 and name HG2*) 2.30 0.50 0.50 ! 0.9751  851:1  Intra  2.39, 2.63 A
assign (resid   19 and name  HB1) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.6839  852:1  Ambig  4.16, 4.90 A
    or (resid   22 and name  HA2) (resid   23 and name HG2*)                ! 0.3161  852:1  -----  4.73, 5.68 A
assign (resid   35 and name  HB2) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  853:1  Long   4.02, 5.06 A
assign (resid    4 and name  HB2) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  854:1  Long   2.01, 3.00 A
assign (resid   30 and name  HB1) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.9904  855:1  Long   2.41, 3.52 A
assign (resid   11 and name HG11) (resid   11 and name HD1*) 2.30 0.50 0.50 ! 0.0000  857:1  Intra  2.38, 2.62 A
assign (resid   36 and name   HN) (resid   24 and name   HN) 2.65 0.85 0.85 ! 0.9985  858:1  Long   2.63, 2.78 A
assign (resid   34 and name   HN) (resid   28 and name   HN) 3.15 1.35 1.35 ! 0.7912  859:1  Ambig  3.23, 3.50 A
    or (resid   34 and name   HN) (resid   27 and name   HN)                ! 0.0875  859:1  -----  4.67, 4.85 A
assign (resid    6 and name   HN) (resid    5 and name   HN) 3.15 1.35 1.35 ! 0.0000  860:1  Seq    2.51, 2.69 A
assign (resid   28 and name   HN) (resid   34 and name   HN) 2.65 0.85 0.85 ! 0.6862  861:1  Ambig  3.23, 3.50 A
    or (resid   27 and name   HN) (resid   26 and name   HN)                ! 0.1298  861:1  -----  4.27, 4.35 A
assign (resid   13 and name  HD*) (resid   10 and name   HN) 3.15 1.35 1.35 ! 0.9635  862:1  Mid    1.88, 4.04 A
assign (resid   13 and name  HD*) (resid   14 and name   HN) 3.65 1.85 1.85 ! 0.0000  863:1  Seq    2.92, 3.89 A
assign (resid   13 and name  HD*) (resid   13 and name   HN) 3.15 1.35 1.35 ! 0.4656  864:1  Ambig  4.17, 4.79 A
    or (resid   32 and name  HD*) (resid   32 and name   HN)                ! 0.2429  864:1  -----  4.65, 4.83 A
    or (resid   13 and name  HD*) (resid    8 and name   HN)                ! 0.2353  864:1  -----  4.67, 6.37 A
assign (resid   31 and name  HD*) (resid   11 and name   HN) 3.65 1.85 1.85 ! 0.0000  865:1  Long   3.72, 4.99 A
assign (resid   32 and name  HD*) (resid    7 and name HE21) 2.65 0.85 0.85 ! 0.7774  866:1  Ambig  3.00, 4.89 A
    or (resid   13 and name  HD*) (resid    7 and name HE21)                ! 0.2226  866:1  -----  3.69, 5.05 A
assign (resid    9 and name   HN) (resid    7 and name HE21) 3.65 1.85 1.85 ! 0.9592  869:1  Mid    4.45, 4.54 A
assign (resid    9 and name   HN) (resid   13 and name  HD*) 3.15 1.35 1.35 ! 0.9952  870:1  Mid    2.60, 5.18 A
assign (resid    5 and name  HD*) (resid   34 and name HE21) 3.15 1.35 1.35 ! 0.0000  871:1  Long   3.26, 5.20 A
assign (resid   29 and name   HN) (resid   32 and name   HN) 2.65 0.85 0.85 ! 0.3573  872:1  Ambig  3.33, 3.47 A
    or (resid   10 and name   HN) (resid   13 and name   HN)                ! 0.3122  872:1  -----  3.41, 3.72 A
    or (resid    2 and name HE21) (resid    8 and name   HN)                ! 0.2807  872:1  -----  3.47, 4.06 A
assign (resid   33 and name   HN) (resid    8 and name   HN) 3.15 1.35 1.35 ! 0.7347  874:1  Ambig  3.53, 4.04 A
    or (resid   33 and name   HN) (resid   32 and name   HN)                ! 0.2383  874:1  -----  4.26, 4.30 A
assign (resid   11 and name   HN) (resid   31 and name  HD*) 3.65 1.85 1.85 ! 0.0000  875:1  Long   3.72, 4.99 A
assign (resid   14 and name   HN) (resid   13 and name  HD*) 3.65 1.85 1.85 ! 0.0000  876:1  Seq    2.92, 3.89 A
assign (resid   10 and name   HN) (resid   13 and name  HD*) 3.15 1.35 1.35 ! 0.9641  877:1  Mid    1.88, 4.04 A
assign (resid   10 and name   HN) (resid    9 and name   HN) 3.65 1.85 1.85 ! 0.7561  878:1  Ambig  2.69, 3.09 A
    or (resid   10 and name   HN) (resid   33 and name   HN)                ! 0.1407  878:1  -----  3.56, 3.98 A
assign (resid   21 and name   HN) (resid   20 and name   HN) 3.15 1.35 1.35 ! 0.5031  879:1  Ambig  4.49, 4.59 A
    or (resid   21 and name   HN) (resid   23 and name   HN)                ! 0.4969  879:1  -----  4.50, 4.63 A
assign (resid    6 and name   HN) (resid   35 and name   HN) 3.15 1.35 1.35 ! 0.0000  880:1  Long   2.44, 2.81 A
assign (resid    6 and name   HN) (resid    4 and name  HD2) 3.65 1.85 1.85 ! 0.5622  881:1  Ambig  4.40, 4.93 A
    or (resid    6 and name   HN) (resid    5 and name  HD*)                ! 0.4378  881:1  -----  4.59, 5.56 A
assign (resid    7 and name   HN) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.9465  882:1  Long   3.44, 5.36 A
assign (resid   22 and name   HN) (resid   21 and name   HN) 3.65 1.85 1.85 ! 0.0000  883:1  Seq    4.36, 4.45 A
assign (resid   24 and name   HN) (resid   25 and name   HN) 3.65 1.85 1.85 ! 0.8807  884:1  Seq    4.29, 4.34 A
assign (resid   34 and name HE21) (resid    5 and name  HD*) 3.15 1.35 1.35 ! 0.9756  885:1  Long   3.26, 5.20 A
assign (resid   34 and name HE21) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.9805  886:1  Mid    2.89, 4.26 A
assign (resid    7 and name HE21) (resid   33 and name   HN) 3.15 1.35 1.35 ! 0.9781  888:1  Long   2.36, 2.73 A
assign (resid    2 and name HE21) (resid    8 and name   HA) 3.15 1.35 1.35 ! 0.8100  889:1  Long   2.77, 3.24 A
assign (resid   13 and name  HD*) (resid   15 and name   HN) 3.65 1.85 1.85 ! 0.0000  890:1  Mid    2.51, 4.38 A
assign (resid   32 and name  HD*) (resid   33 and name   HA) 3.65 1.85 1.85 ! 0.7148  891:1  Ambig  3.85, 5.17 A
    or (resid   13 and name  HD*) (resid    8 and name   HA)                ! 0.2852  891:1  -----  4.48, 5.97 A
assign (resid   13 and name  HE*) (resid   15 and name   HN) 3.65 1.85 1.85 ! 0.0000  892:1  Mid    2.58, 4.43 A
assign (resid   13 and name  HE*) (resid   17 and name   HA) 3.65 1.85 1.85 ! 0.7973  893:1  Ambig  3.51, 5.87 A
    or (resid   13 and name  HE*) (resid   14 and name   HA)                ! 0.1796  893:1  -----  4.50, 5.95 A
assign (resid   18 and name   HN) (resid   17 and name   HA) 3.15 1.35 1.35 ! 0.9760  894:1  Seq    3.25, 3.39 A
assign (resid    7 and name HE21) (resid   10 and name  HA1) 3.65 1.85 1.85 ! 0.9951  895:1  Mid    2.23, 2.90 A
assign (resid   25 and name   HN) (resid   24 and name   HA) 2.30 0.50 0.50 ! 0.9994  896:1  Seq    2.10, 2.18 A
assign (resid   11 and name   HN) (resid   10 and name  HA2) 2.65 0.85 0.85 ! 0.9927  897:1  Seq    2.34, 2.57 A
assign (resid    2 and name HE22) (resid    6 and name  HA1) 3.65 1.85 1.85 ! 0.9985  898:1  Mid    1.79, 2.01 A
assign (resid    2 and name HE22) (resid   19 and name  HB1) 4.15 2.35 2.35 ! 0.0000  899:1  Long   5.35, 5.50 A
assign (resid   31 and name  HD*) (resid   30 and name  HD1) 3.65 1.85 1.85 ! 0.0000  900:1  Seq    4.76, 6.73 A
assign (resid   31 and name  HD*) (resid   11 and name   HA) 3.65 1.85 1.85 ! 0.6678  901:1  Ambig  4.43, 6.26 A
    or (resid   31 and name  HD*) (resid   10 and name  HA1)                ! 0.3322  901:1  -----  4.98, 6.13 A
assign (resid   26 and name HE21) (resid   24 and name   HB) 3.65 1.85 1.85 ! 0.9988  902:1  Mid    2.32, 3.27 A
assign (resid    7 and name HE22) (resid   12 and name  HA1) 3.65 1.85 1.85 ! 0.5151  903:1  Ambig  4.80, 6.02 A
    or (resid    7 and name HE22) (resid   10 and name  HA2)                ! 0.3126  903:1  -----  5.21, 5.84 A
assign (resid   31 and name  HE*) (resid   30 and name  HD2) 3.65 1.85 1.85 ! 0.0000  904:1  Seq    4.16, 6.24 A
assign (resid   31 and name  HE*) (resid   31 and name   HA) 3.65 1.85 1.85 ! 0.0000  905:1  Intra  4.84, 5.35 A
assign (resid    4 and name  HD2) (resid   23 and name   HB) 3.65 1.85 1.85 ! 0.0000  906:1  Long   2.90, 3.37 A
assign (resid   26 and name HE21) (resid   26 and name   HA) 3.65 1.85 1.85 ! 0.4977  907:1  Ambig  3.84, 4.80 A
    or (resid   29 and name HD22) (resid   32 and name   HA)                ! 0.3818  907:1  -----  4.01, 4.28 A
assign (resid    2 and name HE22) (resid    2 and name   HA) 3.65 1.85 1.85 ! 0.5225  908:1  Ambig  4.50, 4.79 A
    or (resid   26 and name HE21) (resid   23 and name   HA)                ! 0.2423  908:1  -----  5.12, 5.66 A
    or (resid    2 and name HE22) (resid   17 and name   HA)                ! 0.1773  908:1  -----  5.39, 7.54 A
assign (resid   13 and name  HD*) (resid   14 and name   HA) 3.65 1.85 1.85 ! 0.7938  909:1  Ambig  3.05, 4.98 A
    or (resid   13 and name  HD*) (resid   17 and name   HA)                ! 0.1625  909:1  -----  3.97, 6.47 A
assign (resid    5 and name  HD*) (resid   36 and name   HA) 3.65 1.85 1.85 ! 0.0000  912:1  Long   4.16, 5.53 A
assign (resid    6 and name   HN) (resid    5 and name  HB1) 3.65 1.85 1.85 ! 0.7385  913:1  Ambig  4.24, 4.30 A
    or (resid    6 and name   HN) (resid    4 and name  HB1)                ! 0.2381  913:1  -----  5.12, 5.81 A
assign (resid   29 and name   HN) (resid   32 and name  HB1) 3.65 1.85 1.85 ! 0.9940  915:1  Mid    3.06, 3.40 A
assign (resid   32 and name   HN) (resid   32 and name  HB1) 3.15 1.35 1.35 ! 0.0000  916:1  Intra  2.58, 2.68 A
assign (resid    4 and name  HD2) (resid    5 and name  HB2) 3.65 1.85 1.85 ! 0.0000  917:1  Seq    4.42, 4.99 A
assign (resid   31 and name  HD*) (resid   30 and name  HG2) 3.65 1.85 1.85 ! 0.0000  918:1  Seq    2.55, 4.45 A
assign (resid    4 and name  HD2) (resid   34 and name  HG*) 3.65 1.85 1.85 ! 0.0000  919:1  Long   4.27, 5.07 A
assign (resid    2 and name   HN) (resid    2 and name  HB1) 3.15 1.35 1.35 ! 0.0000  920:1  Intra  2.66, 2.75 A
assign (resid   27 and name   HN) (resid   27 and name HG2*) 2.30 0.50 0.50 ! 0.9149  921:1  Intra  2.03, 3.04 A
assign (resid    7 and name HE21) (resid    7 and name  HB1) 3.65 1.85 1.85 ! 0.0000  922:1  Intra  4.47, 4.51 A
assign (resid    1 and name HG2*) (resid   20 and name   HN) 3.65 1.85 1.85 ! 0.0000  923:1  Long   2.92, 5.09 A
assign (resid   30 and name  HB2) (resid   31 and name   HN) 3.65 1.85 1.85 ! 0.9451  924:1  Seq    2.82, 3.18 A
assign (resid   31 and name  HB1) (resid   32 and name   HN) 3.65 1.85 1.85 ! 0.8706  925:1  Seq    3.76, 3.89 A
assign (resid   31 and name  HB1) (resid   11 and name   HN) 3.65 1.85 1.85 ! 0.0000  926:1  Long   3.57, 4.29 A
assign (resid  101 and name   H5) (resid   13 and name   HN) 3.65 1.85 1.85 ! 0.4780  927:1  Ambig  3.86, 5.15 A
    or (resid   33 and name  HB1) (resid    8 and name   HN)                ! 0.4106  927:1  -----  3.96, 4.27 A
assign (resid   35 and name  HB2) (resid   20 and name   HN) 3.65 1.85 1.85 ! 0.8908  928:1  Long   4.59, 5.01 A
assign (resid    5 and name  HB2) (resid    6 and name   HN) 3.65 1.85 1.85 ! 0.9813  929:1  Seq    3.90, 4.31 A
assign (resid   29 and name  HB*) (resid   32 and name   HN) 3.65 1.85 1.85 ! 0.0000  930:1  Mid    3.90, 4.42 A
assign (resid    7 and name  HB2) (resid    8 and name   HN) 3.65 1.85 1.85 ! 0.9607  931:1  Seq    4.13, 4.27 A
assign (resid    4 and name  HB1) (resid    5 and name  HE*) 3.65 1.85 1.85 ! 0.6017  932:1  Ambig  4.18, 6.30 A
    or (resid    5 and name  HB1) (resid    5 and name  HE*)                ! 0.3352  932:1  -----  4.61, 5.04 A
assign (resid   35 and name  HB2) (resid    4 and name  HD2) 3.65 1.85 1.85 ! 0.9504  933:1  Long   3.41, 3.78 A
assign (resid   13 and name  HB1) (resid   13 and name  HE*) 3.65 1.85 1.85 ! 0.0000  934:1  Intra  4.57, 5.05 A
assign (resid   32 and name  HB2) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.9153  935:1  Intra  4.65, 5.03 A
assign (resid   13 and name  HB2) (resid   13 and name  HE*) 3.65 1.85 1.85 ! 0.6168  936:1  Ambig  4.62, 5.05 A
    or (resid    8 and name  HB1) (resid   13 and name  HE*)                ! 0.3832  936:1  -----  5.00, 7.07 A
assign (resid   32 and name  HB1) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.0000  937:1  Intra  4.57, 5.04 A
assign (resid   17 and name HG2*) (resid   18 and name   HN) 3.65 1.85 1.85 ! 0.0000  938:1  Seq    4.46, 5.06 A
assign (resid   36 and name HD2*) (resid   34 and name HE21) 3.65 1.85 1.85 ! 0.0000  939:1  Mid    4.88, 5.71 A
assign (resid   11 and name HG2*) (resid   31 and name  HD*) 3.15 1.35 1.35 ! 0.0000  940:1  Long   2.73, 5.55 A
assign (resid   28 and name HD2*) (resid   32 and name  HD*) 3.15 1.35 1.35 ! 0.9957  941:1  Mid    2.26, 6.92 A
assign (resid   28 and name HD2*) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.9838  942:1  Mid    2.44, 7.30 A
assign (resid   17 and name HG2*) (resid    8 and name   HA) 3.65 1.85 1.85 ! 0.0000  943:1  Long   4.42, 5.59 A
assign (resid   27 and name HG2*) (resid   33 and name   HA) 3.15 1.35 1.35 ! 0.7577  944:1  Ambig  3.73, 5.01 A
    or (resid   28 and name HD2*) (resid   33 and name   HA)                ! 0.2135  944:1  -----  4.61, 5.67 A
assign (resid   28 and name HD1*) (resid   33 and name   HA) 3.65 1.85 1.85 ! 0.9331  945:1  Long   2.62, 5.36 A
assign (resid   23 and name HG2*) (resid    4 and name  HD2) 3.15 1.35 1.35 ! 0.0000  946:1  Long   2.53, 3.65 A
assign (resid   27 and name HG1*) (resid   28 and name   HA) 3.65 1.85 1.85 ! 0.0000  947:1  Seq    4.23, 5.50 A
assign (resid   27 and name HG1*) (resid   30 and name   HA) 3.65 1.85 1.85 ! 0.0000  948:1  Mid    2.87, 3.21 A
assign (resid   36 and name   HG) (resid   36 and name   HA) 3.15 1.35 1.35 ! 0.9928  949:1  Intra  3.11, 3.17 A
assign (resid   20 and name  HB*) (resid    3 and name   HA) 2.65 0.85 0.85 ! 0.0000  951:1  Long   2.70, 3.67 A
assign (resid   27 and name HG2*) (resid   26 and name   HA) 3.15 1.35 1.35 ! 0.8269  952:1  Seq    3.28, 4.52 A
assign (resid   23 and name HG2*) (resid   35 and name  HB2) 3.15 1.35 1.35 ! 0.0000  954:1  Long   4.02, 5.06 A
assign (resid   23 and name   HB) (resid   35 and name  HB2) 3.15 1.35 1.35 ! 0.0000  955:1  Long   3.21, 3.50 A
assign (resid   23 and name   HB) (resid   35 and name  HB1) 3.15 1.35 1.35 ! 0.9967  956:1  Long   2.09, 2.30 A
assign (resid   16 and name  HD2) (resid   16 and name  HB1) 3.15 1.35 1.35 ! 0.0000  957:1  Intra  3.85, 3.88 A
assign (resid   29 and name  HB*) (resid   28 and name  HB2) 3.65 1.85 1.85 ! 0.6470  958:1  Ambig  4.02, 5.04 A
    or (resid   29 and name  HB*) (resid   30 and name  HG1)                ! 0.3385  958:1  -----  4.48, 5.34 A
assign (resid   29 and name  HB*) (resid   30 and name  HG2) 3.65 1.85 1.85 ! 0.0000  959:1  Seq    3.92, 4.86 A
assign (resid   35 and name  HB2) (resid   19 and name  HB2) 3.65 1.85 1.85 ! 0.6184  960:1  Ambig  4.68, 4.89 A
    or (resid   35 and name  HB2) (resid    2 and name  HG2)                ! 0.3816  960:1  -----  5.07, 6.36 A
assign (resid   26 and name  HG1) (resid   26 and name  HB1) 2.65 0.85 0.85 ! 0.9965  961:1  Intra  2.41, 2.89 A
assign (resid   26 and name  HG1) (resid   26 and name  HB2) 2.65 0.85 0.85 ! 0.9986  963:1  Intra  2.36, 2.42 A
assign (resid    7 and name  HG1) (resid    7 and name  HB1) 2.65 0.85 0.85 ! 0.0000  964:1  Intra  3.00, 3.02 A
assign (resid   19 and name  HB2) (resid   35 and name  HB2) 3.65 1.85 1.85 ! 0.0000  965:1  Long   4.68, 4.89 A
assign (resid   30 and name  HG2) (resid   29 and name  HB*) 3.15 1.35 1.35 ! 0.0000  966:1  Seq    3.92, 4.86 A
assign (resid   16 and name  HB1) (resid   16 and name  HD2) 3.15 1.35 1.35 ! 0.0000  967:1  Intra  3.85, 3.88 A
assign (resid   34 and name  HB1) (resid   36 and name   HG) 3.15 1.35 1.35 ! 0.0000  968:1  Mid    2.96, 3.34 A
assign (resid    7 and name  HB1) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.0000  969:1  Intra  3.00, 3.02 A
assign (resid   36 and name  HB*) (resid   26 and name  HG1) 3.15 1.35 1.35 ! 0.0000  970:1  Long   2.27, 3.77 A
assign (resid   26 and name  HB1) (resid   26 and name  HG1) 2.65 0.85 0.85 ! 0.0000  972:1  Intra  2.41, 2.89 A
assign (resid    2 and name  HB2) (resid    2 and name  HG2) 2.65 0.85 0.85 ! 0.9944  973:1  Intra  2.41, 2.51 A
assign (resid   16 and name  HB2) (resid   16 and name  HG2) 2.30 0.50 0.50 ! 0.8076  974:1  Intra  2.25, 2.31 A
assign (resid   36 and name   HG) (resid   34 and name  HG*) 3.15 1.35 1.35 ! 0.9634  975:1  Mid    2.46, 3.68 A
assign (resid   30 and name  HB2) (resid   30 and name  HG2) 2.65 0.85 0.85 ! 0.0000  976:1  Intra  2.22, 2.25 A
assign (resid   36 and name   HG) (resid   36 and name  HB*) 2.30 0.50 0.50 ! 0.9789  977:1  Intra  2.44, 2.74 A
assign (resid   11 and name   HB) (resid   11 and name HG11) 2.65 0.85 0.85 ! 0.0000  979:1  Intra  2.48, 2.50 A
assign (resid    7 and name  HG2) (resid    7 and name  HB2) 3.15 1.35 1.35 ! 0.7159  980:1  Ambig  3.00, 3.01 A
    or (resid   28 and name HD1*) (resid   34 and name  HG*)                ! 0.1565  980:1  -----  3.87, 5.61 A
assign (resid   36 and name  HB*) (resid   36 and name   HG) 2.30 0.50 0.50 ! 0.9789  981:1  Intra  2.44, 2.74 A
assign (resid   26 and name  HG2) (resid   26 and name  HB1) 2.30 0.50 0.50 ! 0.7324  982:1  Ambig  2.40, 2.58 A
    or (resid   30 and name  HB1) (resid   30 and name  HG2)                ! 0.2676  982:1  -----  2.84, 2.91 A
assign (resid   16 and name  HB1) (resid   16 and name  HG2) 2.30 0.50 0.50 ! 0.9617  983:1  Intra  2.65, 2.70 A
assign (resid   36 and name HD1*) (resid   26 and name  HG1) 3.15 1.35 1.35 ! 0.9876  984:1  Long   2.23, 4.53 A
assign (resid   28 and name HD1*) (resid   28 and name  HB2) 2.65 0.85 0.85 ! 0.9418  985:1  Intra  2.33, 3.10 A
assign (resid   28 and name HD1*) (resid   28 and name   HG) 2.65 0.85 0.85 ! 0.5322  986:1  Ambig  2.38, 2.62 A
    or (resid   28 and name HD1*) (resid   28 and name  HB1)                ! 0.4670  986:1  -----  2.43, 3.11 A
assign (resid   28 and name HD2*) (resid   28 and name  HB1) 2.65 0.85 0.85 ! 0.5161  987:1  Ambig  2.32, 3.18 A
    or (resid   28 and name HD2*) (resid   28 and name   HG)                ! 0.4368  987:1  -----  2.38, 2.63 A
assign (resid   36 and name HD1*) (resid   36 and name   HG) 2.30 0.50 0.50 ! 0.8443  989:1  Intra  2.39, 2.62 A
assign (resid   11 and name HG2*) (resid   11 and name   HB) 2.30 0.50 0.50 ! 0.0000  991:1  Intra  2.44, 2.65 A
assign (resid   36 and name HD2*) (resid   36 and name   HG) 2.30 0.50 0.50 ! 0.0000  992:1  Intra  2.43, 2.64 A
assign (resid   28 and name HD1*) (resid   34 and name  HB2) 3.15 1.35 1.35 ! 0.9757  993:1  Long   3.07, 4.10 A
assign (resid   36 and name   HG) (resid   34 and name  HB1) 3.15 1.35 1.35 ! 0.0000  994:1  Mid    2.96, 3.34 A
assign (resid   36 and name   HG) (resid   36 and name HD1*) 2.30 0.50 0.50 ! 0.4751  995:1  Ambig  2.39, 2.62 A
    or (resid   36 and name   HG) (resid   36 and name HD2*)                ! 0.4373  995:1  -----  2.43, 2.64 A
assign (resid   11 and name   HB) (resid   11 and name HG2*) 2.30 0.50 0.50 ! 0.0000  996:1  Intra  2.44, 2.65 A
assign (resid   11 and name   HB) (resid   11 and name HD1*) 2.30 0.50 0.50 ! 0.0000  997:1  Intra  2.51, 3.13 A
assign (resid   11 and name HG11) (resid   11 and name   HB) 2.65 0.85 0.85 ! 0.0000  999:1  Intra  2.48, 2.50 A
assign (resid    1 and name HG2*) (resid   18 and name HG1*) 2.65 0.85 0.85 ! 0.9763 1000:1  Long   2.12, 4.20 A
assign (resid   11 and name HG12) (resid   11 and name HD1*) 2.65 0.85 0.85 ! 0.9935 1001:1  Intra  2.39, 2.61 A
assign (resid   11 and name HG2*) (resid   11 and name HD1*) 2.30 0.50 0.50 ! 0.0000 1002:1  Intra  2.04, 3.71 A
assign (resid   11 and name   HB) (resid   11 and name   HA) 3.15 1.35 1.35 ! 0.9315 1003:1  Intra  3.03, 3.04 A
assign (resid   30 and name  HB2) (resid   30 and name  HD2) 3.15 1.35 1.35 ! 0.0000 1004:1  Intra  3.61, 3.77 A
assign (resid   11 and name HG12) (resid   11 and name   HA) 2.65 0.85 0.85 ! 0.9821 1005:1  Intra  2.51, 2.57 A
assign (resid   27 and name HG2*) (resid   33 and name  HB1) 3.65 1.85 1.85 ! 0.9926 1006:1  Long   2.74, 3.88 A
assign (resid   28 and name  HB2) (resid   28 and name HD1*) 3.15 1.35 1.35 ! 0.9429 1007:1  Intra  2.33, 3.10 A
assign (resid   17 and name HG2*) (resid   16 and name   HA) 3.65 1.85 1.85 ! 0.0000 1008:1  Seq    3.88, 5.14 A
assign (resid   25 and name   HN) (resid   26 and name   HN) 3.15 1.35 1.35 ! 0.6294 1009:1  Ambig  4.19, 4.26 A
    or (resid   25 and name   HN) (resid   36 and name   HN)                ! 0.3358 1009:1  -----  4.66, 4.75 A
assign (resid   25 and name   HN) (resid   24 and name   HN) 3.65 1.85 1.85 ! 0.0000 1010:1  Seq    4.29, 4.34 A
assign (resid    4 and name   HN) (resid    5 and name   HN) 3.65 1.85 1.85 ! 0.0000 1011:1  Seq    4.53, 4.56 A
assign (resid   21 and name   HN) (resid   22 and name   HN) 3.65 1.85 1.85 ! 0.0000 1012:1  Seq    4.36, 4.45 A
assign (resid   26 and name HE22) (resid   36 and name HD1*) 3.65 1.85 1.85 ! 0.9242 1013:1  Long   3.08, 4.73 A
assign (resid    7 and name HE22) (resid   10 and name  HA1) 3.65 1.85 1.85 ! 0.9627 1014:1  Mid    3.45, 4.14 A
assign (resid    7 and name HE21) (resid   32 and name   HN) 3.65 1.85 1.85 ! 0.4682 1015:1  Ambig  4.45, 4.73 A
    or (resid    7 and name HE21) (resid   13 and name   HN)                ! 0.2865 1015:1  -----  4.83, 5.25 A
    or (resid    7 and name HE21) (resid    8 and name   HN)                ! 0.2453 1015:1  -----  4.95, 5.33 A
assign (resid   26 and name HE21) (resid   36 and name   HN) 3.65 1.85 1.85 ! 0.8214 1016:1  Long   3.09, 3.93 A
assign (resid   26 and name HE21) (resid   24 and name   HN) 3.65 1.85 1.85 ! 0.0000 1017:1  Mid    3.43, 3.85 A
assign (resid    9 and name   HN) (resid   10 and name   HN) 3.65 1.85 1.85 ! 0.9665 1018:1  Seq    2.69, 3.09 A
assign (resid   33 and name   HN) (resid   34 and name   HN) 3.65 1.85 1.85 ! 0.4645 1019:1  Ambig  4.22, 4.31 A
    or (resid   26 and name HE22) (resid   36 and name   HN)                ! 0.3822 1019:1  -----  4.36, 5.16 A
assign (resid   35 and name   HA) (resid   36 and name   HN) 3.15 1.35 1.35 ! 0.8875 1021:1  Seq    2.09, 2.12 A
assign (resid    4 and name  HB1) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.0000 1022:1  Long   3.62, 4.55 A
assign (resid   30 and name  HB1) (resid   30 and name  HD1) 3.65 1.85 1.85 ! 0.9813 1024:1  Intra  3.12, 3.45 A
assign (resid   28 and name  HB2) (resid   32 and name  HB1) 3.15 1.35 1.35 ! 0.0000 1025:1  Mid    2.53, 3.29 A
assign (resid   18 and name   HB) (resid    1 and name HG2*) 3.15 1.35 1.35 ! 0.0000 1026:1  Long   2.33, 4.09 A
assign (resid   30 and name  HB2) (resid   31 and name   HA) 3.15 1.35 1.35 ! 0.6023 1027:1  Ambig  3.83, 3.99 A
    or (resid    1 and name HG2*) (resid    3 and name   HA)                ! 0.3977 1027:1  -----  4.11, 7.33 A
assign (resid   11 and name HG2*) (resid   12 and name  HA1) 3.15 1.35 1.35 ! 0.6609 1028:1  Ambig  3.50, 4.71 A
    or (resid   27 and name HG2*) (resid   10 and name  HA2)                ! 0.3220 1028:1  -----  3.95, 5.33 A
assign (resid   16 and name  HB2) (resid   16 and name  HD1) 3.65 1.85 1.85 ! 0.9676 1029:1  Intra  3.84, 3.92 A
assign (resid    7 and name  HG2) (resid   13 and name  HB2) 3.65 1.85 1.85 ! 0.8310 1033:1  Long   2.93, 3.73 A
assign (resid   28 and name HD1*) (resid   32 and name  HB1) 3.65 1.85 1.85 ! 0.9819 1034:1  Mid    3.60, 5.05 A
assign (resid   13 and name  HE*) (resid    7 and name  HG2) 3.65 1.85 1.85 ! 0.0000 1035:1  Long   3.03, 4.30 A
assign (resid   13 and name  HE*) (resid    7 and name  HB2) 3.65 1.85 1.85 ! 0.6890 1036:1  Ambig  4.43, 6.00 A
    or (resid   13 and name  HE*) (resid   16 and name  HG1)                ! 0.3110 1036:1  -----  5.05, 6.68 A
assign (resid   24 and name   HN) (resid   36 and name   HN) 3.15 1.35 1.35 ! 0.9785    0:2  Long   2.63, 2.78 A
assign (resid   33 and name   HA) (resid   34 and name   HN) 2.30 0.50 0.50 ! 0.9860    1:2  Seq    2.17, 2.23 A
assign (resid   35 and name   HA) (resid   36 and name   HN) 2.30 0.50 0.50 ! 0.8875    2:2  Seq    2.09, 2.12 A
assign (resid   32 and name   HN) (resid   31 and name   HN) 2.65 0.85 0.85 ! 0.9479    3:2  Seq    2.01, 2.16 A
assign (resid   32 and name  HD*) (resid   28 and name   HN) 3.65 1.85 1.85 ! 0.5066    4:2  Ambig  3.66, 5.51 A
    or (resid   32 and name  HD*) (resid   29 and name   HN)                ! 0.3965    4:2  -----  3.81, 5.46 A
assign (resid   33 and name   HA) (resid   28 and name   HN) 2.65 0.85 0.85 ! 0.8608    5:2  Long   1.95, 2.22 A
assign (resid   35 and name   HA) (resid   35 and name   HN) 3.15 1.35 1.35 ! 0.0000    6:2  Intra  2.81, 2.83 A
assign (resid   31 and name   HN) (resid   32 and name   HN) 2.65 0.85 0.85 ! 0.9826    7:2  Seq    2.01, 2.16 A
assign (resid   29 and name   HN) (resid   32 and name   HN) 3.15 1.35 1.35 ! 0.3573    8:2  Ambig  3.33, 3.47 A
    or (resid   10 and name   HN) (resid   13 and name   HN)                ! 0.3122    8:2  -----  3.41, 3.72 A
    or (resid    2 and name HE21) (resid    8 and name   HN)                ! 0.2807    8:2  -----  3.47, 4.06 A
assign (resid    9 and name   HN) (resid    8 and name   HN) 3.15 1.35 1.35 ! 0.9971    9:2  Seq    2.26, 2.43 A
assign (resid    8 and name   HA) (resid    8 and name   HN) 3.15 1.35 1.35 ! 0.9235   10:2  Intra  2.86, 2.91 A
assign (resid   31 and name   HN) (resid   31 and name  HD*) 3.15 1.35 1.35 ! 0.9509   11:2  Intra  2.12, 3.64 A
assign (resid   32 and name  HE*) (resid   32 and name  HD*) 2.30 0.50 0.50 ! 0.0000   13:2  Intra  2.44, 3.68 A
assign (resid    4 and name  HE1) (resid    5 and name  HD*) 3.65 1.85 1.85 ! 0.7321   14:2  Ambig  3.35, 5.70 A
    or (resid    4 and name  HE1) (resid    4 and name  HD2)                ! 0.1834   14:2  -----  4.21, 4.22 A
assign (resid    4 and name  HE1) (resid    5 and name  HE*) 3.65 1.85 1.85 ! 0.9946   15:2  Seq    2.45, 4.61 A
assign (resid    8 and name   HN) (resid    9 and name   HN) 3.15 1.35 1.35 ! 0.9326   16:2  Seq    2.26, 2.43 A
assign (resid   31 and name  HD*) (resid   31 and name  HE*) 2.30 0.50 0.50 ! 0.0000   17:2  Intra  2.44, 3.68 A
assign (resid   32 and name  HD*) (resid   32 and name  HE*) 2.30 0.50 0.50 ! 0.0000   18:2  Intra  2.44, 3.68 A
assign (resid    5 and name  HD*) (resid    5 and name  HE*) 2.30 0.50 0.50 ! 0.9512   19:2  Intra  2.43, 3.68 A
assign (resid    5 and name  HE*) (resid    5 and name  HD*) 2.30 0.50 0.50 ! 0.9512   20:2  Intra  2.43, 3.68 A
assign (resid   33 and name   HA) (resid   33 and name   HN) 3.15 1.35 1.35 ! 0.5984   21:2  Ambig  2.91, 2.92 A
    or (resid    8 and name   HA) (resid    9 and name   HN)                ! 0.3639   21:2  -----  3.16, 3.52 A
assign (resid    8 and name   HA) (resid   13 and name  HE*) 3.15 1.35 1.35 ! 0.0000   22:2  Long   2.82, 4.89 A
assign (resid   34 and name   HN) (resid   33 and name   HA) 2.30 0.50 0.50 ! 0.9982   23:2  Seq    2.17, 2.23 A
assign (resid   36 and name   HN) (resid   35 and name   HA) 2.30 0.50 0.50 ! 0.9935   24:2  Seq    2.09, 2.12 A
assign (resid   31 and name   HN) (resid   31 and name   HA) 3.65 1.85 1.85 ! 0.9958   25:2  Intra  2.91, 2.94 A
assign (resid   28 and name   HN) (resid   33 and name   HA) 2.65 0.85 0.85 ! 0.9855   26:2  Long   1.95, 2.22 A
assign (resid   35 and name   HN) (resid   35 and name   HA) 3.15 1.35 1.35 ! 0.0000   27:2  Intra  2.81, 2.83 A
assign (resid   29 and name   HN) (resid   29 and name   HA) 3.15 1.35 1.35 ! 0.0000   28:2  Intra  2.80, 2.85 A
assign (resid   35 and name   HN) (resid   34 and name   HA) 2.30 0.50 0.50 ! 0.0000   29:2  Seq    2.11, 2.17 A
assign (resid    8 and name   HN) (resid   34 and name   HA) 3.65 1.85 1.85 ! 0.0000   30:2  Long   2.23, 2.68 A
assign (resid   33 and name   HN) (resid   33 and name   HA) 3.15 1.35 1.35 ! 0.9899   31:2  Intra  2.91, 2.92 A
assign (resid   13 and name  HE*) (resid    8 and name   HA) 3.15 1.35 1.35 ! 0.0000   32:2  Long   2.82, 4.89 A
assign (resid   32 and name  HE*) (resid   34 and name   HA) 3.65 1.85 1.85 ! 0.0000   33:2  Mid    4.22, 5.23 A
assign (resid   24 and name   HN) (resid   24 and name   HA) 3.15 1.35 1.35 ! 0.8866   34:2  Intra  2.91, 2.92 A
assign (resid   36 and name   HN) (resid   36 and name   HA) 2.65 0.85 0.85 ! 0.9297   35:2  Intra  2.89, 2.90 A
assign (resid   36 and name   HN) (resid   23 and name   HA) 3.15 1.35 1.35 ! 0.7894   36:2  Ambig  4.34, 4.54 A
    or (resid   12 and name   HN) (resid   14 and name   HA)                ! 0.1142   36:2  -----  5.99, 6.26 A
assign (resid   26 and name   HN) (resid   25 and name   HA) 2.30 0.50 0.50 ! 0.8550   37:2  Seq    2.14, 2.18 A
assign (resid   28 and name   HN) (resid   28 and name   HA) 3.15 1.35 1.35 ! 0.9272   38:2  Intra  2.83, 2.88 A
assign (resid   29 and name   HN) (resid   28 and name   HA) 3.15 1.35 1.35 ! 0.6235   39:2  Ambig  3.41, 3.47 A
    or (resid    2 and name HE21) (resid    2 and name   HA)                ! 0.2638   39:2  -----  3.94, 4.40 A
assign (resid   11 and name   HN) (resid   31 and name   HA) 3.15 1.35 1.35 ! 0.0000   40:2  Long   1.83, 2.08 A
assign (resid   35 and name   HN) (resid    7 and name   HA) 3.65 1.85 1.85 ! 0.0000   41:2  Long   3.79, 3.97 A
assign (resid   23 and name   HN) (resid   23 and name   HA) 3.65 1.85 1.85 ! 0.0000   42:2  Intra  2.91, 2.93 A
assign (resid    8 and name   HN) (resid    7 and name   HA) 2.65 0.85 0.85 ! 0.8995   43:2  Seq    2.03, 2.07 A
assign (resid   32 and name   HN) (resid   32 and name   HA) 3.15 1.35 1.35 ! 0.0000   44:2  Intra  2.88, 2.89 A
assign (resid   32 and name   HN) (resid   31 and name   HA) 3.15 1.35 1.35 ! 0.0000   45:2  Seq    3.48, 3.52 A
assign (resid   31 and name  HD*) (resid   31 and name   HA) 2.65 0.85 0.85 ! 0.0000   47:2  Intra  2.80, 3.56 A
assign (resid   32 and name  HD*) (resid   28 and name   HA) 3.65 1.85 1.85 ! 0.0000   48:2  Mid    4.94, 7.14 A
assign (resid   32 and name  HD*) (resid   32 and name   HA) 2.30 0.50 0.50 ! 0.0000   49:2  Intra  2.29, 3.42 A
assign (resid   33 and name   HN) (resid   32 and name   HA) 2.30 0.50 0.50 ! 0.9991   50:2  Seq    2.04, 2.08 A
assign (resid    4 and name  HD2) (resid   36 and name   HA) 2.65 0.85 0.85 ! 0.9879   51:2  Long   1.98, 2.34 A
assign (resid   31 and name  HE*) (resid   31 and name   HA) 3.65 1.85 1.85 ! 0.0000   52:2  Intra  4.84, 5.35 A
assign (resid   32 and name  HD1) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.9920   53:2  Ambig  1.90, 3.65 A
    or (resid   32 and name  HD2) (resid    7 and name   HA)                ! 0.0000   53:2  -----  0.00, 0.00 A
    or (resid   13 and name  HD1) (resid    9 and name  HA2)                ! 0.0000   53:2  -----  0.00, 0.00 A
    or (resid   13 and name  HD2) (resid    9 and name  HA2)                ! 0.0000   53:2  -----  0.00, 0.00 A
    or (resid   13 and name  HD1) (resid    7 and name   HA)                ! 0.0000   53:2  -----  0.00, 0.00 A
    or (resid   13 and name  HD2) (resid    7 and name   HA)                ! 0.0000   53:2  -----  0.00, 0.00 A
assign (resid    9 and name   HN) (resid    9 and name  HA2) 3.15 1.35 1.35 ! 0.8756   54:2  Intra  2.62, 2.74 A
assign (resid    5 and name  HD*) (resid    5 and name   HA) 2.30 0.50 0.50 ! 0.5358   55:2  Ambig  2.23, 3.42 A
    or (resid    4 and name  HD2) (resid    4 and name   HA)                ! 0.4111   55:2  -----  2.34, 2.45 A
assign (resid   32 and name  HE*) (resid   32 and name   HA) 3.65 1.85 1.85 ! 0.0000   56:2  Intra  4.47, 5.23 A
assign (resid   32 and name  HE*) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.0000   57:2  Long   3.54, 4.73 A
assign (resid   13 and name  HE*) (resid   15 and name  HA2) 3.65 1.85 1.85 ! 0.6269   58:2  Ambig  3.90, 5.41 A
    or (resid    5 and name  HE*) (resid    5 and name   HA)                ! 0.3168   58:2  -----  4.37, 5.20 A
assign (resid    8 and name   HA) (resid   17 and name   HA) 3.15 1.35 1.35 ! 0.9195   59:2  Long   2.94, 3.29 A
assign (resid   33 and name   HA) (resid   32 and name   HA) 3.65 1.85 1.85 ! 0.5097   60:2  Ambig  4.28, 4.31 A
    or (resid    8 and name   HA) (resid   19 and name   HA)                ! 0.1942   60:2  -----  5.02, 5.49 A
    or (resid   33 and name   HA) (resid   26 and name   HA)                ! 0.1594   60:2  -----  5.19, 5.35 A
assign (resid   35 and name   HA) (resid   25 and name   HA) 2.65 0.85 0.85 ! 0.9969   61:2  Long   2.17, 2.28 A
assign (resid   24 and name   HN) (resid   24 and name   HB) 3.15 1.35 1.35 ! 0.0000   62:2  Intra  3.64, 3.68 A
assign (resid   24 and name   HN) (resid   23 and name   HB) 2.65 0.85 0.85 ! 0.0000   63:2  Seq    2.77, 2.81 A
assign (resid   34 and name   HN) (resid   27 and name   HA) 3.15 1.35 1.35 ! 0.9276   64:2  Long   3.36, 3.65 A
assign (resid   12 and name   HN) (resid   11 and name   HA) 2.65 0.85 0.85 ! 0.6347   65:2  Ambig  2.08, 2.13 A
    or (resid   12 and name   HN) (resid   12 and name  HA2)                ! 0.3221   65:2  -----  2.33, 2.39 A
assign (resid   34 and name   HN) (resid   33 and name  HB1) 2.65 0.85 0.85 ! 0.7205   66:2  Ambig  3.04, 3.20 A
    or (resid   12 and name   HN) (resid  101 and name   H5)                ! 0.2725   66:2  -----  3.58, 5.04 A
assign (resid   28 and name   HN) (resid   27 and name   HA) 2.30 0.50 0.50 ! 0.8578   67:2  Seq    2.11, 2.17 A
assign (resid   35 and name   HN) (resid    5 and name   HA) 3.65 1.85 1.85 ! 0.6248   68:2  Ambig  3.95, 4.14 A
    or (resid   35 and name   HN) (resid    4 and name   HA)                ! 0.2540   68:2  -----  4.58, 4.85 A
assign (resid   11 and name   HN) (resid   10 and name  HA1) 3.15 1.35 1.35 ! 0.7104   69:2  Ambig  2.39, 2.58 A
    or (resid   11 and name   HN) (resid   11 and name   HA)                ! 0.2877   69:2  -----  2.78, 2.81 A
assign (resid   31 and name  HD*) (resid   30 and name  HD1) 3.65 1.85 1.85 ! 0.0000   70:2  Seq    4.76, 6.73 A
assign (resid   31 and name  HD*) (resid   30 and name  HD2) 3.15 1.35 1.35 ! 0.0000   71:2  Seq    3.22, 5.44 A
assign (resid   13 and name  HD*) (resid    9 and name  HA1) 3.15 1.35 1.35 ! 0.8916   72:2  Mid    2.68, 5.12 A
assign (resid    9 and name   HN) (resid    9 and name  HA1) 3.15 1.35 1.35 ! 0.9368   73:2  Intra  2.72, 2.83 A
assign (resid    4 and name  HD2) (resid   23 and name   HB) 3.65 1.85 1.85 ! 0.9906   74:2  Long   2.90, 3.37 A
assign (resid   33 and name   HN) (resid   33 and name  HB1) 3.15 1.35 1.35 ! 0.9210   75:2  Intra  3.72, 3.76 A
assign (resid   33 and name   HA) (resid   27 and name   HA) 2.30 0.50 0.50 ! 0.9987   76:2  Long   1.92, 2.20 A
assign (resid    8 and name   HA) (resid    8 and name  HB2) 2.30 0.50 0.50 ! 0.9369   77:2  Intra  2.46, 2.53 A
assign (resid   35 and name   HA) (resid   23 and name   HB) 3.15 1.35 1.35 ! 0.0000   78:2  Long   3.41, 3.62 A
assign (resid   36 and name   HN) (resid   35 and name  HB2) 3.15 1.35 1.35 ! 0.9376   79:2  Seq    4.21, 4.25 A
assign (resid   36 and name   HN) (resid   35 and name  HB1) 3.65 1.85 1.85 ! 0.5776   80:2  Ambig  3.55, 3.66 A
    or (resid   26 and name   HN) (resid   25 and name  HB1)                ! 0.1795   80:2  -----  4.32, 4.42 A
    or (resid   12 and name   HN) (resid   13 and name  HB1)                ! 0.1508   80:2  -----  4.45, 4.73 A
assign (resid   34 and name   HN) (resid   33 and name  HB2) 3.15 1.35 1.35 ! 0.6482   81:2  Ambig  3.95, 4.04 A
    or (resid   12 and name   HN) (resid   13 and name  HB2)                ! 0.1660   81:2  -----  4.96, 5.20 A
assign (resid   31 and name   HN) (resid   31 and name  HB2) 3.15 1.35 1.35 ! 0.9651   82:2  Intra  2.42, 2.51 A
assign (resid   29 and name   HN) (resid   29 and name  HB*) 3.15 1.35 1.35 ! 0.0000   83:2  Intra  3.19, 3.64 A
assign (resid   35 and name   HN) (resid   35 and name  HB2) 3.15 1.35 1.35 ! 0.9986   84:2  Intra  2.48, 2.55 A
assign (resid   35 and name   HN) (resid   35 and name  HB1) 3.15 1.35 1.35 ! 0.9770   85:2  Intra  3.52, 3.53 A
assign (resid   10 and name   HN) (resid   13 and name  HB2) 3.65 1.85 1.85 ! 0.5334   86:2  Ambig  2.37, 2.95 A
    or (resid    2 and name HE21) (resid    8 and name  HB1)                ! 0.3652   86:2  -----  2.52, 2.91 A
assign (resid   32 and name   HN) (resid   32 and name  HB2) 2.65 0.85 0.85 ! 0.9911   87:2  Intra  2.62, 2.82 A
assign (resid   31 and name  HD*) (resid   31 and name  HB1) 2.65 0.85 0.85 ! 0.0000   88:2  Intra  2.32, 3.06 A
assign (resid   31 and name  HD*) (resid   29 and name  HB*) 3.15 1.35 1.35 ! 0.0000   89:2  Mid    4.18, 7.10 A
assign (resid   31 and name  HD*) (resid   31 and name  HB2) 2.30 0.50 0.50 ! 0.0000   91:2  Intra  2.34, 3.04 A
assign (resid   31 and name  HE*) (resid   31 and name  HB1) 3.65 1.85 1.85 ! 0.0000   92:2  Intra  4.63, 5.06 A
assign (resid    5 and name  HD*) (resid    5 and name  HB2) 2.30 0.50 0.50 ! 0.9818   93:2  Intra  2.28, 3.03 A
assign (resid    5 and name  HD*) (resid    5 and name  HB1) 2.30 0.50 0.50 ! 0.8099   94:2  Intra  2.30, 3.06 A
assign (resid    4 and name  HD2) (resid    4 and name  HB2) 3.15 1.35 1.35 ! 0.6463   95:2  Ambig  3.25, 3.54 A
    or (resid    4 and name  HD2) (resid   35 and name  HB1)                ! 0.2524   95:2  -----  3.80, 4.14 A
assign (resid   31 and name  HE*) (resid   31 and name  HB2) 3.15 1.35 1.35 ! 0.0000   96:2  Intra  4.61, 5.04 A
assign (resid    9 and name   HN) (resid   33 and name  HB2) 3.15 1.35 1.35 ! 0.9813   97:2  Long   1.93, 2.21 A
assign (resid   33 and name   HN) (resid   33 and name  HB2) 3.15 1.35 1.35 ! 0.9323   98:2  Intra  2.60, 2.66 A
assign (resid   13 and name  HD*) (resid   13 and name  HB1) 2.65 0.85 0.85 ! 0.0000   99:2  Intra  2.26, 3.05 A
assign (resid    5 and name  HE*) (resid    5 and name  HB2) 3.65 1.85 1.85 ! 0.0000  100:2  Intra  4.58, 5.04 A
assign (resid    5 and name  HE*) (resid    4 and name  HB1) 3.15 1.35 1.35 ! 0.6422  101:2  Ambig  4.18, 6.30 A
    or (resid    5 and name  HE*) (resid    5 and name  HB1)                ! 0.3578  101:2  -----  4.61, 5.04 A
assign (resid   32 and name  HE*) (resid   32 and name  HB2) 3.65 1.85 1.85 ! 0.9153  102:2  Intra  4.65, 5.03 A
assign (resid    8 and name   HA) (resid    8 and name  HB1) 2.30 0.50 0.50 ! 0.8206  103:2  Intra  2.32, 2.34 A
assign (resid   35 and name   HA) (resid   35 and name  HB2) 2.65 0.85 0.85 ! 0.0000  104:2  Intra  2.99, 3.00 A
assign (resid   35 and name   HA) (resid   35 and name  HB1) 3.15 1.35 1.35 ! 0.9889  105:2  Intra  2.35, 2.38 A
assign (resid   26 and name   HN) (resid   26 and name  HG1) 3.15 1.35 1.35 ! 0.6505  106:2  Ambig  2.70, 3.08 A
    or (resid   36 and name   HN) (resid   26 and name  HG1)                ! 0.3495  106:2  -----  3.00, 3.50 A
assign (resid   26 and name   HN) (resid   26 and name  HG2) 3.15 1.35 1.35 ! 0.6296  107:2  Ambig  2.66, 3.65 A
    or (resid   36 and name   HN) (resid   26 and name  HG2)                ! 0.3537  107:2  -----  2.93, 4.67 A
assign (resid   36 and name   HN) (resid   34 and name  HG*) 3.15 1.35 1.35 ! 0.3644  108:2  Ambig  4.09, 4.84 A
    or (resid   34 and name   HN) (resid   34 and name  HG*)                ! 0.2949  108:2  -----  4.23, 4.51 A
    or (resid   34 and name   HN) (resid   26 and name  HB1)                ! 0.2247  108:2  -----  4.43, 4.70 A
assign (resid   26 and name   HN) (resid   26 and name  HB1) 3.15 1.35 1.35 ! 0.8611  109:2  Intra  3.60, 3.63 A
assign (resid   29 and name   HN) (resid   32 and name  HB1) 3.65 1.85 1.85 ! 0.9940  110:2  Mid    3.06, 3.40 A
assign (resid   35 and name   HN) (resid   34 and name  HG*) 2.65 0.85 0.85 ! 0.9941  111:2  Seq    2.45, 2.84 A
assign (resid   32 and name   HN) (resid   32 and name  HB1) 3.15 1.35 1.35 ! 0.0000  112:2  Intra  2.58, 2.68 A
assign (resid   32 and name  HD*) (resid   32 and name  HB1) 2.30 0.50 0.50 ! 0.0000  113:2  Intra  2.27, 3.02 A
assign (resid   32 and name  HD*) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.0000  114:2  Long   3.01, 4.64 A
assign (resid   33 and name   HN) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.9994  115:2  Long   2.14, 2.28 A
assign (resid    5 and name  HD*) (resid   34 and name  HG*) 3.15 1.35 1.35 ! 0.8641  116:2  Long   3.14, 5.27 A
assign (resid   32 and name  HD*) (resid    7 and name  HB2) 3.15 1.35 1.35 ! 0.9774  117:2  Long   2.99, 4.74 A
assign (resid   32 and name  HE*) (resid   32 and name  HB1) 3.65 1.85 1.85 ! 0.0000  118:2  Intra  4.57, 5.04 A
assign (resid   32 and name  HE*) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.0000  119:2  Long   3.67, 5.10 A
assign (resid   32 and name  HE*) (resid    7 and name  HB2) 2.65 0.85 0.85 ! 0.9741  120:2  Long   2.07, 3.99 A
assign (resid    8 and name   HA) (resid    2 and name  HG2) 3.65 1.85 1.85 ! 0.7662  121:2  Ambig  3.48, 3.86 A
    or (resid   33 and name   HA) (resid    7 and name  HG1)                ! 0.1248  121:2  -----  4.70, 4.85 A
assign (resid    8 and name   HA) (resid    2 and name  HG1) 3.65 1.85 1.85 ! 0.0000  122:2  Long   1.95, 2.40 A
assign (resid   26 and name   HN) (resid   26 and name  HB2) 2.65 0.85 0.85 ! 0.9154  123:2  Intra  2.38, 2.43 A
assign (resid   34 and name   HN) (resid   34 and name  HB1) 2.65 0.85 0.85 ! 0.6724  124:2  Ambig  2.54, 2.64 A
    or (resid   34 and name   HN) (resid   28 and name  HB2)                ! 0.1166  124:2  -----  3.40, 4.58 A
    or (resid   34 and name   HN) (resid   26 and name  HB2)                ! 0.1127  124:2  -----  3.42, 3.73 A
assign (resid   36 and name   HN) (resid   36 and name  HB*) 2.30 0.50 0.50 ! 0.8214  125:2  Intra  2.48, 3.10 A
assign (resid   36 and name   HN) (resid   36 and name   HG) 3.15 1.35 1.35 ! 0.9120  126:2  Intra  2.78, 2.91 A
assign (resid   28 and name   HN) (resid   28 and name  HB2) 2.65 0.85 0.85 ! 0.6209  127:2  Ambig  2.21, 2.46 A
    or (resid   27 and name   HN) (resid   27 and name   HB)                ! 0.3285  127:2  -----  2.46, 2.54 A
assign (resid   28 and name   HN) (resid   28 and name   HG) 2.65 0.85 0.85 ! 0.7245  128:2  Ambig  2.17, 2.83 A
    or (resid   28 and name   HN) (resid   28 and name  HB1)                ! 0.2680  128:2  -----  2.57, 3.47 A
assign (resid   29 and name   HN) (resid   28 and name  HB2) 3.15 1.35 1.35 ! 0.9875  129:2  Seq    2.26, 2.67 A
assign (resid   35 and name   HN) (resid   34 and name  HB1) 3.15 1.35 1.35 ! 0.7784  130:2  Ambig  4.02, 4.13 A
    or (resid   35 and name   HN) (resid    2 and name  HB1)                ! 0.2216  130:2  -----  4.96, 5.16 A
assign (resid   29 and name   HN) (resid   28 and name  HB1) 3.15 1.35 1.35 ! 0.7529  131:2  Ambig  2.31, 3.40 A
    or (resid    2 and name HE21) (resid    2 and name  HB2)                ! 0.2032  131:2  -----  2.88, 3.66 A
assign (resid   35 and name   HN) (resid   34 and name  HB2) 3.15 1.35 1.35 ! 0.8557  132:2  Seq    3.87, 3.96 A
assign (resid   11 and name   HN) (resid   11 and name HG11) 3.15 1.35 1.35 ! 0.0000  133:2  Intra  1.94, 2.06 A
assign (resid   32 and name  HD*) (resid   28 and name  HB2) 2.65 0.85 0.85 ! 0.0000  134:2  Mid    2.21, 4.36 A
assign (resid   32 and name  HD*) (resid   28 and name  HB1) 2.65 0.85 0.85 ! 0.7285  135:2  Ambig  2.14, 5.36 A
    or (resid   32 and name  HD*) (resid   28 and name   HG)                ! 0.2715  135:2  -----  2.53, 5.36 A
assign (resid   32 and name  HD*) (resid   34 and name  HB2) 3.15 1.35 1.35 ! 0.0000  136:2  Mid    3.19, 4.69 A
assign (resid    4 and name  HD2) (resid   36 and name  HB*) 3.15 1.35 1.35 ! 0.5930  137:2  Ambig  4.36, 4.99 A
    or (resid    5 and name  HD*) (resid   34 and name  HB2)                ! 0.2265  137:2  -----  5.12, 7.12 A
assign (resid   32 and name  HE*) (resid   34 and name  HB1) 2.65 0.85 0.85 ! 0.0000  138:2  Mid    2.90, 4.75 A
assign (resid   32 and name  HE*) (resid   34 and name  HB2) 2.65 0.85 0.85 ! 0.0000  139:2  Mid    1.99, 3.57 A
assign (resid    8 and name   HA) (resid    2 and name  HB1) 3.15 1.35 1.35 ! 0.5663  140:2  Ambig  2.98, 3.58 A
    or (resid   33 and name   HA) (resid   28 and name  HB2)                ! 0.3050  140:2  -----  3.31, 3.87 A
assign (resid   33 and name   HA) (resid   28 and name   HG) 3.15 1.35 1.35 ! 0.4159  141:2  Ambig  3.00, 3.76 A
    or (resid    8 and name   HA) (resid    2 and name  HB2)                ! 0.3613  141:2  -----  3.07, 3.55 A
    or (resid   33 and name   HA) (resid   28 and name  HB1)                ! 0.1496  141:2  -----  3.56, 5.16 A
assign (resid   35 and name   HA) (resid   36 and name  HB*) 3.15 1.35 1.35 ! 0.8335  142:2  Seq    4.55, 5.15 A
assign (resid   24 and name   HN) (resid   24 and name HG2*) 3.15 1.35 1.35 ! 0.0000  143:2  Intra  2.96, 3.88 A
assign (resid   12 and name   HN) (resid   11 and name HG2*) 2.65 0.85 0.85 ! 0.6990  144:2  Ambig  2.99, 3.77 A
    or (resid   34 and name   HN) (resid   28 and name HD2*)                ! 0.1448  144:2  -----  3.89, 5.26 A
assign (resid   27 and name   HN) (resid   27 and name HG2*) 3.15 1.35 1.35 ! 0.9149  145:2  Intra  2.03, 3.04 A
assign (resid   11 and name   HN) (resid   11 and name   HB) 3.65 1.85 1.85 ! 0.0000  146:2  Intra  2.42, 2.52 A
assign (resid   29 and name   HN) (resid   28 and name HD2*) 3.65 1.85 1.85 ! 0.8680  147:2  Seq    3.69, 5.37 A
assign (resid   29 and name   HN) (resid   27 and name HG1*) 2.65 0.85 0.85 ! 0.9916  148:2  Mid    2.89, 3.92 A
assign (resid   13 and name  HD*) (resid   17 and name HG2*) 3.15 1.35 1.35 ! 0.0000  149:2  Mid    2.94, 6.01 A
assign (resid   31 and name  HD*) (resid   11 and name   HB) 2.65 0.85 0.85 ! 0.0000  150:2  Long   2.21, 3.82 A
assign (resid   31 and name  HD*) (resid   11 and name HG2*) 3.15 1.35 1.35 ! 0.0000  151:2  Long   2.73, 5.55 A
assign (resid    4 and name  HD2) (resid   36 and name   HG) 3.65 1.85 1.85 ! 0.5027  152:2  Ambig  4.78, 5.17 A
    or (resid    5 and name  HD*) (resid   36 and name   HG)                ! 0.3713  152:2  -----  5.03, 6.71 A
assign (resid   31 and name  HE*) (resid   11 and name   HB) 3.15 1.35 1.35 ! 0.0000  153:2  Long   2.96, 4.40 A
assign (resid   32 and name  HD*) (resid   28 and name HD1*) 2.65 0.85 0.85 ! 0.9939  154:2  Mid    1.92, 4.94 A
assign (resid    9 and name   HN) (resid    7 and name  HG2) 3.15 1.35 1.35 ! 0.0000  155:2  Mid    2.27, 3.10 A
assign (resid    5 and name  HD*) (resid   36 and name HD2*) 2.65 0.85 0.85 ! 0.6582  156:2  Ambig  2.76, 4.93 A
    or (resid    4 and name  HD2) (resid   36 and name HD2*)                ! 0.3418  156:2  -----  3.08, 4.49 A
assign (resid   32 and name  HD*) (resid   28 and name HD2*) 3.15 1.35 1.35 ! 0.0000  157:2  Mid    2.26, 6.92 A
assign (resid   31 and name  HE*) (resid   11 and name HG2*) 2.65 0.85 0.85 ! 0.7109  158:2  Ambig  2.65, 5.18 A
    or (resid   26 and name HE22) (resid   36 and name HD1*)                ! 0.2891  158:2  -----  3.08, 4.73 A
assign (resid   13 and name  HE*) (resid   17 and name HG2*) 2.65 0.85 0.85 ! 0.0000  159:2  Mid    3.37, 6.28 A
assign (resid   32 and name  HE*) (resid   28 and name HD1*) 2.65 0.85 0.85 ! 0.9953  160:2  Mid    1.96, 4.87 A
assign (resid    5 and name  HE*) (resid   36 and name HD2*) 2.65 0.85 0.85 ! 0.0000  161:2  Long   2.48, 4.70 A
assign (resid   32 and name  HE*) (resid   28 and name HD2*) 3.65 1.85 1.85 ! 0.0000  162:2  Mid    2.44, 7.30 A
assign (resid   33 and name   HA) (resid   28 and name HD1*) 3.65 1.85 1.85 ! 0.9331  163:2  Long   2.62, 5.36 A
assign (resid   33 and name   HA) (resid   27 and name HG2*) 3.15 1.35 1.35 ! 0.7577  164:2  Ambig  3.73, 5.01 A
    or (resid   33 and name   HA) (resid   28 and name HD2*)                ! 0.2135  164:2  -----  4.61, 5.67 A
assign (resid   33 and name   HA) (resid   27 and name HG1*) 3.65 1.85 1.85 ! 0.0000  165:2  Long   3.57, 4.82 A
assign (resid    8 and name   HA) (resid   17 and name HG2*) 3.15 1.35 1.35 ! 0.8770  166:2  Long   4.42, 5.59 A
assign (resid   24 and name   HN) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  167:2  Seq    4.04, 4.72 A
assign (resid   36 and name   HN) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.7230  168:2  Ambig  4.88, 5.82 A
    or (resid   12 and name   HN) (resid   11 and name HD1*)                ! 0.2770  168:2  -----  5.73, 6.40 A
assign (resid    4 and name  HE1) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.9629  169:2  Long   3.72, 5.33 A
assign (resid   23 and name   HN) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.0000  170:2  Intra  2.75, 3.72 A
assign (resid   31 and name  HD*) (resid   11 and name HD1*) 3.65 1.85 1.85 ! 0.0000  171:2  Long   3.98, 5.85 A
assign (resid    4 and name  HD2) (resid   23 and name HG2*) 2.65 0.85 0.85 ! 0.9905  172:2  Long   2.53, 3.65 A
assign (resid   31 and name  HE*) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.0000  173:2  Long   3.93, 5.61 A
assign (resid   25 and name   HA) (resid   26 and name   HN) 2.30 0.50 0.50 ! 0.9228  174:2  Seq    2.14, 2.18 A
assign (resid   24 and name   HA) (resid   24 and name   HN) 3.15 1.35 1.35 ! 0.8866  175:2  Intra  2.91, 2.92 A
assign (resid   36 and name   HA) (resid   36 and name   HN) 2.65 0.85 0.85 ! 0.8935  176:2  Intra  2.89, 2.90 A
assign (resid   24 and name   HB) (resid   24 and name   HN) 3.65 1.85 1.85 ! 0.0000  177:2  Intra  3.64, 3.68 A
assign (resid   27 and name   HA) (resid   34 and name   HN) 3.15 1.35 1.35 ! 0.9044  178:2  Long   3.36, 3.65 A
assign (resid   23 and name   HB) (resid   24 and name   HN) 2.65 0.85 0.85 ! 0.0000  179:2  Seq    2.77, 2.81 A
assign (resid   12 and name  HA2) (resid   12 and name   HN) 3.15 1.35 1.35 ! 0.9013  180:2  Intra  2.33, 2.39 A
assign (resid   33 and name  HB1) (resid   34 and name   HN) 2.65 0.85 0.85 ! 0.6276  181:2  Ambig  3.04, 3.20 A
    or (resid  101 and name   H5) (resid   12 and name   HN)                ! 0.2374  181:2  -----  3.58, 5.04 A
assign (resid   25 and name  HB2) (resid   26 and name   HN) 3.65 1.85 1.85 ! 0.7110  182:2  Ambig  4.40, 4.47 A
    or (resid   25 and name  HB2) (resid   36 and name   HN)                ! 0.1763  182:2  -----  5.56, 5.70 A
assign (resid   35 and name  HB2) (resid   36 and name   HN) 3.65 1.85 1.85 ! 0.8222  183:2  Seq    4.21, 4.25 A
assign (resid   33 and name  HB2) (resid   34 and name   HN) 3.15 1.35 1.35 ! 0.5817  184:2  Ambig  3.95, 4.04 A
    or (resid    8 and name  HB1) (resid   26 and name   HN)                ! 0.1506  184:2  -----  4.95, 5.37 A
    or (resid   33 and name  HB2) (resid   26 and name   HN)                ! 0.1010  184:2  -----  5.29, 5.59 A
assign (resid   26 and name  HG1) (resid   26 and name   HN) 3.15 1.35 1.35 ! 0.6431  185:2  Ambig  2.70, 3.08 A
    or (resid   26 and name  HG1) (resid   36 and name   HN)                ! 0.3455  185:2  -----  3.00, 3.50 A
assign (resid   26 and name  HG2) (resid   26 and name   HN) 3.65 1.85 1.85 ! 0.6243  186:2  Ambig  2.66, 3.65 A
    or (resid   26 and name  HG2) (resid   36 and name   HN)                ! 0.3507  186:2  -----  2.93, 4.67 A
assign (resid   26 and name  HB1) (resid   26 and name   HN) 3.15 1.35 1.35 ! 0.6960  187:2  Ambig  3.60, 3.63 A
    or (resid   26 and name  HB1) (resid   34 and name   HN)                ! 0.2005  187:2  -----  4.43, 4.70 A
assign (resid   34 and name  HB1) (resid   34 and name   HN) 3.15 1.35 1.35 ! 0.9514  188:2  Intra  2.54, 2.64 A
assign (resid   36 and name  HB*) (resid   36 and name   HN) 2.65 0.85 0.85 ! 0.9507  189:2  Intra  2.48, 3.10 A
assign (resid   36 and name   HG) (resid   36 and name   HN) 3.15 1.35 1.35 ! 0.7593  190:2  Ambig  2.78, 2.91 A
    or (resid   36 and name   HG) (resid   26 and name   HN)                ! 0.1675  190:2  -----  3.57, 3.79 A
assign (resid   28 and name HD2*) (resid   34 and name   HN) 3.15 1.35 1.35 ! 0.3357  191:2  Ambig  3.89, 5.26 A
    or (resid   36 and name HD1*) (resid   36 and name   HN)                ! 0.1915  191:2  -----  4.27, 4.90 A
    or (resid   36 and name HD1*) (resid   26 and name   HN)                ! 0.1707  191:2  -----  4.35, 5.42 A
    or (resid   36 and name HD1*) (resid   34 and name   HN)                ! 0.0852  191:2  -----  4.88, 5.84 A
    or (resid   28 and name HD2*) (resid   26 and name   HN)                ! 0.0842  191:2  -----  4.89, 6.64 A
assign (resid    7 and name   HA) (resid   35 and name   HN) 3.15 1.35 1.35 ! 0.0000  192:2  Long   3.79, 3.97 A
assign (resid   31 and name   HA) (resid   11 and name   HN) 3.15 1.35 1.35 ! 0.0000  193:2  Long   1.83, 2.08 A
assign (resid   27 and name   HA) (resid   28 and name   HN) 2.30 0.50 0.50 ! 0.8201  194:2  Seq    2.11, 2.17 A
assign (resid   29 and name  HB*) (resid   29 and name   HN) 3.15 1.35 1.35 ! 0.6539  195:2  Ambig  3.19, 3.64 A
    or (resid   29 and name  HB*) (resid   31 and name   HN)                ! 0.3141  195:2  -----  3.60, 4.31 A
assign (resid   31 and name  HB2) (resid   31 and name   HN) 3.15 1.35 1.35 ! 0.9885  196:2  Intra  2.42, 2.51 A
assign (resid   35 and name  HB2) (resid   35 and name   HN) 3.15 1.35 1.35 ! 0.9986  197:2  Intra  2.48, 2.55 A
assign (resid   35 and name  HB1) (resid   35 and name   HN) 2.65 0.85 0.85 ! 0.5907  198:2  Ambig  3.52, 3.53 A
    or (resid   13 and name  HB1) (resid   14 and name   HN)                ! 0.4093  198:2  -----  3.74, 4.07 A
assign (resid   34 and name  HG*) (resid   35 and name   HN) 3.15 1.35 1.35 ! 0.0000  199:2  Seq    2.45, 2.84 A
assign (resid   28 and name  HB2) (resid   28 and name   HN) 2.65 0.85 0.85 ! 0.4035  200:2  Ambig  2.21, 2.46 A
    or (resid   28 and name  HB2) (resid   29 and name   HN)                ! 0.3537  200:2  -----  2.26, 2.67 A
    or (resid   27 and name   HB) (resid   27 and name   HN)                ! 0.2135  200:2  -----  2.46, 2.54 A
assign (resid   28 and name   HG) (resid   28 and name   HN) 2.65 0.85 0.85 ! 0.4366  201:2  Ambig  2.17, 2.83 A
    or (resid   28 and name  HB1) (resid   29 and name   HN)                ! 0.3011  201:2  -----  2.31, 3.40 A
    or (resid   28 and name  HB1) (resid   28 and name   HN)                ! 0.1615  201:2  -----  2.57, 3.47 A
assign (resid   27 and name HG2*) (resid   27 and name   HN) 3.15 1.35 1.35 ! 0.8898  202:2  Intra  2.03, 3.04 A
assign (resid   27 and name HG1*) (resid   29 and name   HN) 2.65 0.85 0.85 ! 0.6479  203:2  Ambig  2.89, 3.92 A
    or (resid   27 and name HG1*) (resid   28 and name   HN)                ! 0.2670  203:2  -----  3.34, 4.13 A
assign (resid   32 and name   HA) (resid   32 and name   HN) 3.15 1.35 1.35 ! 0.4971  204:2  Ambig  2.88, 2.89 A
    or (resid   13 and name   HA) (resid   13 and name   HN)                ! 0.4810  204:2  -----  2.89, 2.92 A
assign (resid    7 and name   HA) (resid    8 and name   HN) 2.65 0.85 0.85 ! 0.9995  205:2  Seq    2.03, 2.07 A
assign (resid   31 and name   HA) (resid   32 and name   HN) 3.15 1.35 1.35 ! 0.0000  206:2  Seq    3.48, 3.52 A
assign (resid   13 and name  HB1) (resid   13 and name   HN) 3.65 1.85 1.85 ! 0.7440  207:2  Ambig  2.24, 2.50 A
    or (resid   31 and name  HB2) (resid   32 and name   HN)                ! 0.2505  207:2  -----  2.68, 2.85 A
assign (resid   32 and name  HB2) (resid   32 and name   HN) 3.15 1.35 1.35 ! 0.3249  208:2  Ambig  2.62, 2.82 A
    or (resid   13 and name  HB2) (resid   13 and name   HN)                ! 0.3002  208:2  -----  2.65, 2.87 A
    or (resid    8 and name  HB1) (resid    8 and name   HN)                ! 0.2031  208:2  -----  2.83, 2.92 A
assign (resid   32 and name  HB1) (resid   32 and name   HN) 3.15 1.35 1.35 ! 0.9981  209:2  Intra  2.58, 2.68 A
assign (resid   32 and name   HA) (resid   32 and name  HD*) 2.30 0.50 0.50 ! 0.7007  210:2  Ambig  2.29, 3.42 A
    or (resid   13 and name   HA) (resid   13 and name  HD*)                ! 0.2921  210:2  -----  2.65, 3.60 A
assign (resid   31 and name   HA) (resid   31 and name  HD*) 2.65 0.85 0.85 ! 0.9410  211:2  Intra  2.80, 3.56 A
assign (resid    9 and name  HA2) (resid   13 and name  HD*) 2.65 0.85 0.85 ! 0.0000  212:2  Mid    1.90, 3.65 A
assign (resid   31 and name  HB1) (resid   31 and name  HD*) 2.65 0.85 0.85 ! 0.9907  213:2  Intra  2.32, 3.06 A
assign (resid   35 and name  HB2) (resid    2 and name HE22) 3.65 1.85 1.85 ! 0.0000  214:2  Long   3.03, 3.41 A
assign (resid   31 and name  HB2) (resid   31 and name  HD*) 2.30 0.50 0.50 ! 0.9091  215:2  Intra  2.34, 3.04 A
assign (resid   13 and name  HB1) (resid   13 and name  HD*) 2.65 0.85 0.85 ! 0.9922  216:2  Intra  2.26, 3.05 A
assign (resid   13 and name  HB2) (resid   13 and name  HD*) 2.30 0.50 0.50 ! 0.5587  217:2  Ambig  2.32, 3.05 A
    or (resid   32 and name  HB2) (resid   32 and name  HD*)                ! 0.4312  217:2  -----  2.42, 3.05 A
assign (resid   32 and name  HB1) (resid   32 and name  HD*) 2.65 0.85 0.85 ! 0.0000  218:2  Intra  2.27, 3.02 A
assign (resid    7 and name  HG1) (resid   32 and name  HD*) 3.65 1.85 1.85 ! 0.8532  219:2  Long   3.01, 4.64 A
assign (resid   28 and name  HB2) (resid   32 and name  HD*) 3.15 1.35 1.35 ! 0.0000  220:2  Mid    2.21, 4.36 A
assign (resid   28 and name  HB1) (resid   32 and name  HD*) 3.15 1.35 1.35 ! 0.7285  221:2  Ambig  2.14, 5.36 A
    or (resid   28 and name   HG) (resid   32 and name  HD*)                ! 0.2715  221:2  -----  2.53, 5.36 A
assign (resid   11 and name   HB) (resid   31 and name  HD*) 3.15 1.35 1.35 ! 0.0000  222:2  Long   2.21, 3.82 A
assign (resid   11 and name HG2*) (resid   31 and name  HD*) 3.15 1.35 1.35 ! 0.0000  223:2  Long   2.73, 5.55 A
assign (resid   28 and name HD1*) (resid   32 and name  HD*) 3.15 1.35 1.35 ! 0.9010  224:2  Mid    1.92, 4.94 A
assign (resid   11 and name HD1*) (resid   31 and name  HD*) 3.65 1.85 1.85 ! 0.9404  225:2  Long   3.98, 5.85 A
assign (resid   32 and name   HA) (resid   33 and name   HN) 2.30 0.50 0.50 ! 0.9714  226:2  Seq    2.04, 2.08 A
assign (resid   36 and name   HA) (resid    4 and name  HD2) 2.65 0.85 0.85 ! 0.9879  227:2  Long   1.98, 2.34 A
assign (resid    7 and name   HA) (resid   33 and name   HN) 3.15 1.35 1.35 ! 0.5734  228:2  Ambig  3.41, 3.84 A
    or (resid    7 and name   HA) (resid    9 and name   HN)                ! 0.3989  228:2  -----  3.62, 3.93 A
assign (resid    9 and name  HA2) (resid    9 and name   HN) 3.15 1.35 1.35 ! 0.9712  229:2  Intra  2.62, 2.74 A
assign (resid    7 and name   HA) (resid   32 and name  HE*) 3.15 1.35 1.35 ! 0.8959  230:2  Long   3.54, 4.73 A
assign (resid    5 and name   HA) (resid    5 and name  HD*) 2.30 0.50 0.50 ! 0.5358  231:2  Ambig  2.23, 3.42 A
    or (resid    4 and name   HA) (resid    4 and name  HD2)                ! 0.4111  231:2  -----  2.34, 2.45 A
assign (resid    5 and name  HB2) (resid    5 and name  HD*) 2.65 0.85 0.85 ! 0.9818  232:2  Intra  2.28, 3.03 A
assign (resid    5 and name  HB1) (resid    5 and name  HD*) 2.65 0.85 0.85 ! 0.8099  233:2  Intra  2.30, 3.06 A
assign (resid    4 and name  HB2) (resid    4 and name  HD2) 3.15 1.35 1.35 ! 0.8759  234:2  Intra  3.25, 3.54 A
assign (resid   33 and name  HB2) (resid    9 and name   HN) 2.65 0.85 0.85 ! 0.8364  235:2  Long   1.93, 2.21 A
assign (resid    7 and name  HG1) (resid   33 and name   HN) 3.15 1.35 1.35 ! 0.9237  236:2  Long   2.14, 2.28 A
assign (resid    7 and name  HG1) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.0000  237:2  Long   3.67, 5.10 A
assign (resid    7 and name  HB2) (resid   32 and name  HE*) 2.65 0.85 0.85 ! 0.0000  238:2  Long   2.07, 3.99 A
assign (resid   34 and name  HB1) (resid   32 and name  HE*) 3.15 1.35 1.35 ! 0.9869  239:2  Mid    2.90, 4.75 A
assign (resid    7 and name  HB1) (resid   13 and name  HE*) 3.65 1.85 1.85 ! 0.8424  240:2  Long   2.74, 4.45 A
assign (resid   34 and name  HB2) (resid   32 and name  HE*) 3.15 1.35 1.35 ! 0.0000  241:2  Mid    1.99, 3.57 A
assign (resid   17 and name HG2*) (resid   13 and name  HE*) 3.15 1.35 1.35 ! 0.0000  242:2  Mid    3.37, 6.28 A
assign (resid   36 and name HD2*) (resid    5 and name  HD*) 2.65 0.85 0.85 ! 0.6582  243:2  Ambig  2.76, 4.93 A
    or (resid   36 and name HD2*) (resid    4 and name  HD2)                ! 0.3418  243:2  -----  3.08, 4.49 A
assign (resid   11 and name HG2*) (resid   31 and name  HE*) 3.15 1.35 1.35 ! 0.0000  244:2  Long   2.65, 5.18 A
assign (resid   28 and name HD1*) (resid   32 and name  HE*) 3.15 1.35 1.35 ! 0.9953  245:2  Mid    1.96, 4.87 A
assign (resid   36 and name HD2*) (resid    5 and name  HE*) 3.15 1.35 1.35 ! 0.0000  246:2  Long   2.48, 4.70 A
assign (resid   23 and name HG2*) (resid    4 and name  HD2) 3.15 1.35 1.35 ! 0.9905  247:2  Long   2.53, 3.65 A
assign (resid   27 and name   HA) (resid   33 and name   HA) 2.65 0.85 0.85 ! 0.9996  248:2  Long   1.92, 2.20 A
assign (resid   33 and name  HB1) (resid   33 and name   HA) 2.65 0.85 0.85 ! 0.9880  249:2  Intra  2.39, 2.44 A
assign (resid    8 and name  HB2) (resid    8 and name   HA) 2.65 0.85 0.85 ! 0.9980  250:2  Intra  2.46, 2.53 A
assign (resid   29 and name  HB*) (resid   29 and name   HA) 2.30 0.50 0.50 ! 0.0000  251:2  Intra  2.38, 2.50 A
assign (resid    8 and name  HB1) (resid    8 and name   HA) 2.30 0.50 0.50 ! 0.8206  252:2  Intra  2.32, 2.34 A
assign (resid   25 and name  HB2) (resid   35 and name   HA) 3.65 1.85 1.85 ! 0.0000  253:2  Long   3.93, 4.10 A
assign (resid   35 and name  HB2) (resid   35 and name   HA) 2.65 0.85 0.85 ! 0.0000  254:2  Intra  2.99, 3.00 A
assign (resid   35 and name  HB1) (resid   35 and name   HA) 3.15 1.35 1.35 ! 0.9728  255:2  Intra  2.35, 2.38 A
assign (resid   28 and name   HG) (resid   33 and name   HA) 3.15 1.35 1.35 ! 0.4487  256:2  Ambig  3.00, 3.76 A
    or (resid    2 and name  HB2) (resid    8 and name   HA)                ! 0.3899  256:2  -----  3.07, 3.55 A
assign (resid   30 and name  HG1) (resid   29 and name   HA) 3.65 1.85 1.85 ! 0.0000  257:2  Seq    4.72, 4.85 A
assign (resid   34 and name  HB1) (resid   34 and name   HA) 3.65 1.85 1.85 ! 0.9885  258:2  Intra  3.00, 3.01 A
assign (resid   34 and name  HB2) (resid   34 and name   HA) 3.15 1.35 1.35 ! 0.0000  259:2  Intra  2.34, 2.37 A
assign (resid   27 and name HG1*) (resid   33 and name   HA) 3.65 1.85 1.85 ! 0.0000  260:2  Long   3.57, 4.82 A
assign (resid   27 and name HG1*) (resid   29 and name   HA) 3.15 1.35 1.35 ! 0.0000  261:2  Mid    3.30, 4.46 A
assign (resid   17 and name   HB) (resid   17 and name   HA) 2.30 0.50 0.50 ! 0.9498  262:2  Intra  2.51, 2.54 A
assign (resid   24 and name   HB) (resid   24 and name   HA) 2.30 0.50 0.50 ! 0.9980  263:2  Intra  2.51, 2.54 A
assign (resid   21 and name  HB*) (resid   21 and name   HA) 2.30 0.50 0.50 ! 0.9911  265:2  Intra  2.38, 2.72 A
assign (resid   16 and name  HD1) (resid   16 and name   HA) 3.15 1.35 1.35 ! 0.7266  267:2  Ambig  3.68, 3.86 A
    or (resid   19 and name  HB1) (resid   24 and name   HA)                ! 0.2481  267:2  -----  4.40, 4.73 A
assign (resid   33 and name  HB1) (resid   27 and name   HA) 2.30 0.50 0.50 ! 0.9024  271:2  Long   2.41, 2.72 A
assign (resid   25 and name  HB2) (resid   17 and name   HA) 3.65 1.85 1.85 ! 0.9621  272:2  Long   4.48, 4.93 A
assign (resid    8 and name  HB2) (resid   17 and name   HB) 3.15 1.35 1.35 ! 0.5087  273:2  Ambig  3.46, 4.29 A
    or (resid    8 and name  HB2) (resid   25 and name   HA)                ! 0.3998  273:2  -----  3.60, 4.06 A
assign (resid   25 and name  HB2) (resid   25 and name   HA) 2.65 0.85 0.85 ! 0.9306  274:2  Intra  2.43, 2.45 A
assign (resid  101 and name   H5) (resid  101 and name  H62) 2.65 0.85 0.85 ! 0.8572  275:2  Intra  2.29, 2.47 A
assign (resid   31 and name  HB1) (resid   31 and name   HA) 2.65 0.85 0.85 ! 0.0000  276:2  Intra  2.40, 2.46 A
assign (resid    5 and name  HB2) (resid    5 and name   HA) 2.65 0.85 0.85 ! 0.9362  277:2  Intra  2.96, 3.01 A
assign (resid    8 and name  HB1) (resid   17 and name   HA) 3.15 1.35 1.35 ! 0.6254  278:2  Ambig  3.90, 4.22 A
    or (resid   13 and name  HB2) (resid  101 and name   H1)                ! 0.1512  278:2  -----  4.94, 7.53 A
    or (resid   13 and name  HB2) (resid   14 and name   HA)                ! 0.0697  278:2  -----  5.62, 5.73 A
assign (resid   35 and name  HB2) (resid   23 and name   HA) 4.15 2.35 2.35 ! 0.0000  279:2  Long   5.66, 5.95 A
assign (resid   25 and name  HB1) (resid   25 and name   HA) 2.65 0.85 0.85 ! 0.3693  280:2  Ambig  3.00, 3.01 A
    or (resid   13 and name  HB1) (resid   13 and name   HA)                ! 0.3647  280:2  -----  3.01, 3.03 A
    or (resid   25 and name  HB1) (resid   17 and name   HB)                ! 0.0668  280:2  -----  3.99, 5.56 A
assign (resid   13 and name  HB2) (resid   13 and name   HA) 2.30 0.50 0.50 ! 0.4937  281:2  Ambig  2.36, 2.47 A
    or (resid   32 and name  HB2) (resid   32 and name   HA)                ! 0.4018  281:2  -----  2.44, 2.48 A
assign (resid   25 and name  HB1) (resid   25 and name   HA) 2.65 0.85 0.85 ! 0.7997  282:2  Ambig  3.00, 3.01 A
    or (resid   25 and name  HB1) (resid   17 and name   HB)                ! 0.1446  282:2  -----  3.99, 5.56 A
assign (resid   35 and name  HB2) (resid   25 and name   HA) 3.65 1.85 1.85 ! 0.8410  283:2  Long   4.88, 4.98 A
assign (resid   31 and name  HB2) (resid   31 and name   HA) 2.65 0.85 0.85 ! 0.9120  284:2  Intra  3.00, 3.01 A
assign (resid   13 and name  HB2) (resid    9 and name  HA2) 3.15 1.35 1.35 ! 0.6693  285:2  Ambig  3.02, 4.03 A
    or (resid   33 and name  HB2) (resid    9 and name  HA2)                ! 0.1322  285:2  -----  3.96, 4.24 A
assign (resid    5 and name  HB1) (resid    5 and name   HA) 2.30 0.50 0.50 ! 0.7876  286:2  Ambig  2.39, 2.52 A
    or (resid    4 and name  HB1) (resid    4 and name   HA)                ! 0.2023  286:2  -----  3.00, 3.02 A
assign (resid   32 and name  HB1) (resid   32 and name   HA) 3.15 1.35 1.35 ! 0.0000  287:2  Intra  2.98, 3.01 A
assign (resid   26 and name  HG2) (resid   26 and name   HA) 2.65 0.85 0.85 ! 0.8009  288:2  Intra  2.39, 2.57 A
assign (resid   26 and name  HG1) (resid   26 and name   HA) 3.15 1.35 1.35 ! 0.9035  289:2  Intra  2.75, 3.16 A
assign (resid   16 and name  HB1) (resid   16 and name   HA) 2.30 0.50 0.50 ! 0.0000  290:2  Intra  2.26, 2.29 A
assign (resid   19 and name  HB2) (resid   24 and name   HA) 2.65 0.85 0.85 ! 0.9170  291:2  Long   2.94, 3.37 A
assign (resid    7 and name  HG1) (resid    7 and name   HA) 2.65 0.85 0.85 ! 0.9481  292:2  Intra  2.49, 2.56 A
assign (resid   30 and name  HB1) (resid   30 and name   HA) 2.30 0.50 0.50 ! 0.9953  293:2  Intra  2.21, 2.24 A
assign (resid   34 and name  HG*) (resid    5 and name   HA) 3.15 1.35 1.35 ! 0.9937  294:2  Long   2.23, 2.54 A
assign (resid   28 and name  HB2) (resid   28 and name   HA) 3.15 1.35 1.35 ! 0.9604  295:2  Intra  2.57, 2.95 A
assign (resid   28 and name   HG) (resid   28 and name   HA) 2.30 0.50 0.50 ! 0.3914  296:2  Ambig  2.39, 3.12 A
    or (resid   28 and name  HB1) (resid   28 and name   HA)                ! 0.3524  296:2  -----  2.43, 2.58 A
    or (resid    2 and name  HB2) (resid    2 and name   HA)                ! 0.2396  296:2  -----  2.59, 2.67 A
assign (resid    2 and name  HB1) (resid   19 and name   HA) 3.15 1.35 1.35 ! 0.9985  297:2  Long   2.30, 2.53 A
assign (resid   26 and name  HB1) (resid   26 and name   HA) 2.65 0.85 0.85 ! 0.9539  298:2  Intra  2.46, 2.51 A
assign (resid   26 and name  HB2) (resid   26 and name   HA) 2.65 0.85 0.85 ! 0.8089  299:2  Intra  2.98, 3.00 A
assign (resid   16 and name  HG1) (resid   16 and name   HA) 3.65 1.85 1.85 ! 0.9899  300:2  Intra  2.97, 3.22 A
assign (resid   16 and name  HG2) (resid   16 and name   HA) 3.15 1.35 1.35 ! 0.7454  301:2  Ambig  3.93, 4.02 A
    or (resid   18 and name   HB) (resid   16 and name   HA)                ! 0.2546  301:2  -----  4.70, 5.08 A
assign (resid   16 and name  HB2) (resid   16 and name   HA) 3.15 1.35 1.35 ! 0.0000  302:2  Intra  2.82, 2.93 A
assign (resid    7 and name  HB2) (resid    7 and name   HA) 2.65 0.85 0.85 ! 0.9949  303:2  Intra  2.42, 2.47 A
assign (resid   34 and name  HG*) (resid    6 and name  HA2) 3.15 1.35 1.35 ! 0.6727  304:2  Ambig  3.43, 4.62 A
    or (resid   30 and name  HG2) (resid   30 and name   HA)                ! 0.3273  304:2  -----  3.87, 3.95 A
assign (resid   30 and name  HG1) (resid   30 and name   HA) 3.15 1.35 1.35 ! 0.9385  305:2  Intra  3.55, 3.74 A
assign (resid   16 and name  HG1) (resid   15 and name  HA2) 3.15 1.35 1.35 ! 0.6411  306:2  Ambig  4.18, 4.52 A
    or (resid   26 and name  HB1) (resid   27 and name   HA)                ! 0.3015  306:2  -----  4.74, 4.89 A
assign (resid   18 and name   HB) (resid   18 and name   HA) 2.65 0.85 0.85 ! 0.7526  307:2  Ambig  3.03, 3.04 A
    or (resid   18 and name   HB) (resid    1 and name   HB)                ! 0.2023  307:2  -----  3.77, 4.84 A
assign (resid   36 and name  HB*) (resid   36 and name   HA) 2.30 0.50 0.50 ! 0.9944  308:2  Intra  2.47, 2.76 A
assign (resid    7 and name  HB1) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.9695  310:2  Intra  3.00, 3.02 A
assign (resid   17 and name HG2*) (resid   17 and name   HA) 2.65 0.85 0.85 ! 0.9091  311:2  Intra  2.29, 2.96 A
assign (resid   17 and name HG2*) (resid   17 and name   HB) 2.30 0.50 0.50 ! 0.9716  312:2  Intra  2.43, 2.65 A
assign (resid   24 and name HG2*) (resid   24 and name   HA) 2.65 0.85 0.85 ! 0.9984  313:2  Intra  2.38, 3.00 A
assign (resid   20 and name  HB*) (resid    3 and name   HA) 2.65 0.85 0.85 ! 0.0000  314:2  Long   2.70, 3.67 A
assign (resid   30 and name  HB2) (resid   30 and name   HA) 2.65 0.85 0.85 ! 0.9671  315:2  Intra  2.75, 2.82 A
assign (resid    1 and name HG2*) (resid    1 and name   HB) 2.30 0.50 0.50 ! 0.9799  316:2  Intra  2.42, 2.65 A
assign (resid   28 and name HD2*) (resid   28 and name   HA) 3.15 1.35 1.35 ! 0.9941  317:2  Intra  2.05, 3.14 A
assign (resid   36 and name HD2*) (resid   36 and name   HA) 2.30 0.50 0.50 ! 0.9898  318:2  Intra  2.08, 2.94 A
assign (resid   18 and name HG2*) (resid   18 and name   HA) 2.30 0.50 0.50 ! 0.4166  319:2  Ambig  2.49, 3.15 A
    or (resid   18 and name HG1*) (resid   18 and name   HA)                ! 0.4076  319:2  -----  2.50, 3.13 A
assign (resid   23 and name HG2*) (resid   23 and name   HA) 2.65 0.85 0.85 ! 0.0000  320:2  Intra  2.51, 3.10 A
assign (resid   23 and name HG2*) (resid   36 and name   HA) 3.65 1.85 1.85 ! 0.9615  321:2  Long   3.72, 5.02 A
assign (resid   27 and name HG1*) (resid   30 and name   HA) 3.65 1.85 1.85 ! 0.0000  322:2  Mid    2.87, 3.21 A
assign (resid   19 and name   HA) (resid   19 and name  HB1) 2.65 0.85 0.85 ! 0.0000  323:2  Intra  2.35, 2.41 A
assign (resid   24 and name   HA) (resid   24 and name   HB) 2.30 0.50 0.50 ! 0.9980  324:2  Intra  2.51, 2.54 A
assign (resid    3 and name   HA) (resid    3 and name  HB2) 2.65 0.85 0.85 ! 0.9937  325:2  Intra  2.50, 2.73 A
assign (resid    3 and name   HA) (resid    3 and name  HB1) 2.65 0.85 0.85 ! 0.6824  326:2  Ambig  2.28, 2.36 A
    or (resid   31 and name   HA) (resid   10 and name  HA1)                ! 0.3176  326:2  -----  2.58, 3.00 A
assign (resid   21 and name   HA) (resid   21 and name  HB*) 2.30 0.50 0.50 ! 0.9883  327:2  Intra  2.38, 2.72 A
assign (resid   29 and name  HB*) (resid   30 and name  HD1) 2.30 0.50 0.50 ! 0.0000  333:2  Seq    2.85, 3.51 A
assign (resid   29 and name  HB*) (resid   30 and name  HD2) 2.30 0.50 0.50 ! 0.0000  334:2  Seq    1.83, 2.71 A
assign (resid   35 and name  HB2) (resid    4 and name   HA) 3.15 1.35 1.35 ! 0.9492  335:2  Long   2.38, 2.55 A
assign (resid    4 and name  HB2) (resid    4 and name   HA) 2.65 0.85 0.85 ! 0.9525  336:2  Intra  2.52, 2.56 A
assign (resid   35 and name  HB1) (resid    4 and name   HA) 3.15 1.35 1.35 ! 0.9444  337:2  Long   3.01, 3.22 A
assign (resid   33 and name  HB2) (resid   10 and name  HA1) 2.65 0.85 0.85 ! 0.4005  338:2  Ambig  3.30, 3.73 A
    or (resid   13 and name  HB2) (resid   10 and name  HA1)                ! 0.2551  338:2  -----  3.56, 4.25 A
    or (resid   33 and name  HB2) (resid    9 and name  HA1)                ! 0.1863  338:2  -----  3.75, 4.03 A
assign (resid   35 and name  HB2) (resid   23 and name   HB) 2.65 0.85 0.85 ! 0.0000  339:2  Long   3.21, 3.50 A
assign (resid    2 and name  HG1) (resid   16 and name  HD2) 3.15 1.35 1.35 ! 0.8163  342:2  Long   3.35, 4.32 A
assign (resid    2 and name  HG2) (resid   16 and name  HD2) 3.15 1.35 1.35 ! 0.6606  344:2  Ambig  3.06, 3.89 A
    or (resid    2 and name  HG2) (resid    6 and name  HA1)                ! 0.3329  344:2  -----  3.43, 4.71 A
assign (resid   27 and name   HB) (resid   27 and name   HA) 2.65 0.85 0.85 ! 0.8479  345:2  Intra  3.03, 3.04 A
assign (resid   30 and name  HG2) (resid   30 and name  HD1) 2.65 0.85 0.85 ! 0.0000  346:2  Intra  2.87, 2.93 A
assign (resid   18 and name   HB) (resid    1 and name   HA) 3.15 1.35 1.35 ! 0.9590  347:2  Long   2.92, 3.38 A
assign (resid   30 and name  HG1) (resid   30 and name  HD1) 2.65 0.85 0.85 ! 0.9839  348:2  Intra  2.27, 2.31 A
assign (resid   30 and name  HG2) (resid   30 and name  HD2) 2.65 0.85 0.85 ! 0.0000  349:2  Intra  2.18, 2.20 A
assign (resid   30 and name  HG1) (resid   30 and name  HD2) 2.65 0.85 0.85 ! 0.0000  350:2  Intra  2.69, 2.76 A
assign (resid   16 and name  HG2) (resid   16 and name  HD1) 2.30 0.50 0.50 ! 0.9570  351:2  Intra  2.65, 2.68 A
assign (resid   16 and name  HG2) (resid   16 and name  HD2) 2.30 0.50 0.50 ! 0.9981  352:2  Intra  2.29, 2.32 A
assign (resid   11 and name HG11) (resid   11 and name   HA) 3.15 1.35 1.35 ! 0.9905  353:2  Intra  2.90, 2.97 A
assign (resid   20 and name  HB*) (resid   20 and name   HA) 2.30 0.50 0.50 ! 0.9745  354:2  Intra  2.43, 2.64 A
assign (resid   24 and name HG2*) (resid   24 and name   HB) 2.30 0.50 0.50 ! 0.0000  355:2  Intra  2.43, 2.65 A
assign (resid    1 and name HG2*) (resid    1 and name   HA) 2.65 0.85 0.85 ! 0.9582  356:2  Intra  2.36, 2.98 A
assign (resid   27 and name HG2*) (resid   27 and name   HA) 2.30 0.50 0.50 ! 0.9669  357:2  Intra  2.54, 3.20 A
assign (resid   11 and name HG2*) (resid   11 and name   HA) 2.65 0.85 0.85 ! 0.9209  358:2  Intra  2.50, 3.14 A
assign (resid   23 and name HG2*) (resid    4 and name   HA) 2.65 0.85 0.85 ! 0.9932  359:2  Long   2.30, 3.52 A
assign (resid   27 and name HG1*) (resid   27 and name   HA) 2.65 0.85 0.85 ! 0.0000  360:2  Intra  2.51, 3.13 A
assign (resid   23 and name HG2*) (resid   23 and name   HB) 2.30 0.50 0.50 ! 0.9739  361:2  Intra  2.39, 2.63 A
assign (resid   25 and name   HA) (resid   25 and name  HB2) 2.30 0.50 0.50 ! 0.0000  362:2  Intra  2.43, 2.45 A
assign (resid   13 and name   HA) (resid   13 and name  HB1) 2.65 0.85 0.85 ! 0.7052  363:2  Ambig  3.01, 3.03 A
    or (resid   17 and name   HB) (resid   25 and name  HB1)                ! 0.1292  363:2  -----  3.99, 5.56 A
assign (resid   25 and name   HA) (resid   25 and name  HB1) 2.65 0.85 0.85 ! 0.8728  364:2  Intra  3.00, 3.01 A
assign (resid   24 and name   HA) (resid   25 and name  HB1) 3.15 1.35 1.35 ! 0.6191  365:2  Ambig  4.45, 4.57 A
    or (resid   24 and name   HA) (resid   35 and name  HB1)                ! 0.3809  365:2  -----  4.83, 5.00 A
assign (resid   13 and name   HA) (resid   13 and name  HB2) 2.30 0.50 0.50 ! 0.5382  366:2  Ambig  2.36, 2.47 A
    or (resid   32 and name   HA) (resid   32 and name  HB2)                ! 0.4381  366:2  -----  2.44, 2.48 A
assign (resid   31 and name   HA) (resid   31 and name  HB1) 2.65 0.85 0.85 ! 0.0000  367:2  Intra  2.40, 2.46 A
assign (resid   36 and name   HA) (resid   35 and name  HB2) 4.15 2.35 2.35 ! 0.8837  368:2  Seq    4.59, 4.61 A
assign (resid   31 and name   HA) (resid   31 and name  HB2) 2.65 0.85 0.85 ! 0.8331  369:2  Intra  3.00, 3.01 A
assign (resid   10 and name  HA2) (resid   13 and name  HB1) 3.15 1.35 1.35 ! 0.5531  370:2  Ambig  4.36, 4.50 A
    or (resid   12 and name  HA1) (resid   13 and name  HB1)                ! 0.2372  370:2  -----  5.02, 5.35 A
    or (resid   12 and name  HA1) (resid   31 and name  HB2)                ! 0.0878  370:2  -----  5.93, 6.71 A
assign (resid    9 and name  HA2) (resid   13 and name  HB2) 3.15 1.35 1.35 ! 0.8219  371:2  Mid    3.02, 4.03 A
assign (resid    5 and name   HA) (resid    5 and name  HB2) 2.65 0.85 0.85 ! 0.9362  372:2  Intra  2.96, 3.01 A
assign (resid    5 and name   HA) (resid    5 and name  HB1) 2.30 0.50 0.50 ! 0.7876  373:2  Ambig  2.39, 2.52 A
    or (resid    4 and name   HA) (resid    4 and name  HB1)                ! 0.2023  373:2  -----  3.00, 3.02 A
assign (resid    4 and name   HA) (resid    4 and name  HB2) 2.30 0.50 0.50 ! 0.7150  374:2  Ambig  2.52, 2.56 A
    or (resid    4 and name   HA) (resid   35 and name  HB1)                ! 0.2425  374:2  -----  3.01, 3.22 A
assign (resid    8 and name  HB2) (resid   25 and name  HB2) 3.15 1.35 1.35 ! 0.0000  376:2  Long   2.31, 2.75 A
assign (resid    8 and name  HB1) (resid   25 and name  HB2) 2.65 0.85 0.85 ! 0.0000  383:2  Long   3.05, 3.31 A
assign (resid   23 and name HG2*) (resid    4 and name  HB2) 2.65 0.85 0.85 ! 0.9608  388:2  Long   2.01, 3.00 A
assign (resid   32 and name   HA) (resid   32 and name  HB1) 2.65 0.85 0.85 ! 0.0000  389:2  Intra  2.98, 3.01 A
assign (resid   26 and name   HA) (resid   26 and name  HG1) 3.15 1.35 1.35 ! 0.0000  390:2  Intra  2.75, 3.16 A
assign (resid   26 and name   HA) (resid   26 and name  HG2) 2.30 0.50 0.50 ! 0.6933  391:2  Ambig  2.39, 2.57 A
    or (resid   32 and name   HA) (resid    7 and name  HG1)                ! 0.3049  391:2  -----  2.74, 3.14 A
assign (resid   19 and name   HA) (resid   19 and name  HB2) 2.65 0.85 0.85 ! 0.9512  392:2  Intra  3.01, 3.03 A
assign (resid   26 and name   HA) (resid   26 and name  HB1) 2.30 0.50 0.50 ! 0.9613  393:2  Intra  2.46, 2.51 A
assign (resid   16 and name   HA) (resid   16 and name  HB1) 2.30 0.50 0.50 ! 0.0000  394:2  Intra  2.26, 2.29 A
assign (resid    7 and name   HA) (resid    7 and name  HG1) 2.65 0.85 0.85 ! 0.0000  395:2  Intra  2.49, 2.56 A
assign (resid   24 and name   HA) (resid   19 and name  HB2) 2.65 0.85 0.85 ! 0.8858  396:2  Long   2.94, 3.37 A
assign (resid   30 and name   HA) (resid   30 and name  HB1) 2.30 0.50 0.50 ! 0.9874  397:2  Intra  2.21, 2.24 A
assign (resid    6 and name  HA2) (resid   34 and name  HG*) 3.15 1.35 1.35 ! 0.5851  399:2  Ambig  3.43, 4.62 A
    or (resid   30 and name   HA) (resid   30 and name  HG2)                ! 0.2846  399:2  -----  3.87, 3.95 A
assign (resid    7 and name   HA) (resid    7 and name  HB2) 2.30 0.50 0.50 ! 0.9178  400:2  Intra  2.42, 2.47 A
assign (resid   15 and name  HA2) (resid   16 and name  HG1) 3.15 1.35 1.35 ! 0.5233  401:2  Ambig  4.18, 4.52 A
    or (resid   27 and name   HA) (resid   26 and name  HB1)                ! 0.2461  401:2  -----  4.74, 4.89 A
    or (resid   15 and name  HA2) (resid   16 and name  HG2)                ! 0.1739  401:2  -----  5.02, 5.33 A
assign (resid   26 and name  HG2) (resid   26 and name  HB1) 2.30 0.50 0.50 ! 0.7324  406:2  Ambig  2.40, 2.58 A
    or (resid   30 and name  HB1) (resid   30 and name  HG2)                ! 0.2676  406:2  -----  2.84, 2.91 A
assign (resid   26 and name  HB2) (resid   26 and name  HG1) 2.65 0.85 0.85 ! 0.9986  407:2  Intra  2.36, 2.42 A
assign (resid   26 and name  HB1) (resid   26 and name  HG2) 2.30 0.50 0.50 ! 0.4356  410:2  Ambig  2.40, 2.58 A
    or (resid    7 and name  HB2) (resid    7 and name  HG1)                ! 0.4045  410:2  -----  2.43, 2.48 A
assign (resid   26 and name  HB2) (resid   26 and name  HG2) 2.65 0.85 0.85 ! 0.9919  411:2  Intra  2.41, 2.89 A
assign (resid   30 and name  HG1) (resid   30 and name  HB1) 2.30 0.50 0.50 ! 0.9988  412:2  Intra  2.24, 2.26 A
assign (resid    2 and name  HB2) (resid    2 and name  HG2) 2.65 0.85 0.85 ! 0.9905  413:2  Intra  2.41, 2.51 A
assign (resid   34 and name  HB2) (resid   34 and name  HG*) 2.30 0.50 0.50 ! 0.9547  415:2  Intra  2.47, 2.75 A
assign (resid   11 and name HD1*) (resid   30 and name  HB1) 3.15 1.35 1.35 ! 0.9904  419:2  Long   2.41, 3.52 A
assign (resid   26 and name   HA) (resid   26 and name  HB2) 2.65 0.85 0.85 ! 0.8775  420:2  Intra  2.98, 3.00 A
assign (resid   19 and name   HA) (resid    2 and name  HB2) 3.15 1.35 1.35 ! 0.9254  421:2  Long   3.08, 3.34 A
assign (resid   19 and name   HA) (resid    2 and name  HB1) 2.65 0.85 0.85 ! 0.0000  422:2  Long   2.30, 2.53 A
assign (resid   16 and name   HA) (resid   16 and name  HG1) 2.65 0.85 0.85 ! 0.8001  423:2  Intra  2.97, 3.22 A
assign (resid   30 and name   HA) (resid   30 and name  HG1) 3.15 1.35 1.35 ! 0.8280  425:2  Intra  3.55, 3.74 A
assign (resid   16 and name   HA) (resid   16 and name  HB2) 2.65 0.85 0.85 ! 0.9032  426:2  Intra  2.82, 2.93 A
assign (resid    7 and name   HA) (resid    7 and name  HB1) 2.65 0.85 0.85 ! 0.0000  427:2  Intra  3.00, 3.02 A
assign (resid    6 and name  HA2) (resid   34 and name  HB2) 3.65 1.85 1.85 ! 0.0000  429:2  Long   4.72, 5.03 A
assign (resid   36 and name   HA) (resid   36 and name  HB*) 2.30 0.50 0.50 ! 0.9918  430:2  Intra  2.47, 2.76 A
assign (resid   31 and name   HA) (resid   11 and name HG11) 3.15 1.35 1.35 ! 0.0000  431:2  Long   2.63, 3.53 A
assign (resid    5 and name   HA) (resid   34 and name  HG*) 2.65 0.85 0.85 ! 0.9937  433:2  Long   2.23, 2.54 A
assign (resid   18 and name   HA) (resid   18 and name   HB) 2.65 0.85 0.85 ! 0.7763  434:2  Ambig  3.03, 3.04 A
    or (resid    1 and name   HB) (resid   18 and name   HB)                ! 0.2087  434:2  -----  3.77, 4.84 A
assign (resid   27 and name   HA) (resid   27 and name   HB) 2.65 0.85 0.85 ! 0.8479  435:2  Intra  3.03, 3.04 A
assign (resid   30 and name  HD1) (resid   30 and name  HG1) 2.65 0.85 0.85 ! 0.9810  436:2  Intra  2.27, 2.31 A
assign (resid    1 and name   HA) (resid   18 and name   HB) 3.15 1.35 1.35 ! 0.9590  437:2  Long   2.92, 3.38 A
assign (resid   27 and name   HA) (resid   28 and name   HG) 3.65 1.85 1.85 ! 0.6385  438:2  Ambig  3.92, 4.55 A
    or (resid   27 and name   HA) (resid   28 and name  HB1)                ! 0.2426  438:2  -----  4.61, 5.58 A
assign (resid   16 and name  HD1) (resid   16 and name  HG1) 2.30 0.50 0.50 ! 0.7130  439:2  Ambig  2.28, 2.31 A
    or (resid   16 and name  HD1) (resid   16 and name  HG2)                ! 0.2861  439:2  -----  2.65, 2.68 A
assign (resid   16 and name  HD2) (resid   16 and name  HG2) 2.30 0.50 0.50 ! 0.8217  440:2  Intra  2.29, 2.32 A
assign (resid   11 and name   HA) (resid   11 and name HG11) 2.65 0.85 0.85 ! 0.0000  441:2  Intra  2.90, 2.97 A
assign (resid    8 and name  HB1) (resid    2 and name  HB1) 3.65 1.85 1.85 ! 0.8771  442:2  Long   2.87, 3.35 A
assign (resid    2 and name  HG1) (resid    2 and name  HB2) 2.65 0.85 0.85 ! 0.5081  443:2  Ambig  2.38, 2.43 A
    or (resid    2 and name  HG1) (resid    2 and name  HB1)                ! 0.4919  443:2  -----  2.39, 2.50 A
assign (resid   16 and name  HB1) (resid   16 and name  HG2) 2.30 0.50 0.50 ! 0.9617  444:2  Intra  2.65, 2.70 A
assign (resid   30 and name  HB1) (resid   30 and name  HG1) 2.30 0.50 0.50 ! 0.4553  446:2  Ambig  2.24, 2.26 A
    or (resid   26 and name  HG2) (resid   26 and name  HB2)                ! 0.2928  446:2  -----  2.41, 2.89 A
    or (resid    2 and name  HG2) (resid    2 and name  HB1)                ! 0.2428  446:2  -----  2.49, 2.97 A
assign (resid   34 and name  HG*) (resid   34 and name  HB2) 2.30 0.50 0.50 ! 0.9812  448:2  Intra  2.47, 2.75 A
assign (resid   18 and name HG2*) (resid   18 and name   HB) 2.30 0.50 0.50 ! 0.5133  453:2  Ambig  2.41, 2.64 A
    or (resid   18 and name HG1*) (resid   18 and name   HB)                ! 0.4867  453:2  -----  2.43, 2.64 A
assign (resid   36 and name HD1*) (resid   26 and name  HB2) 2.30 0.50 0.50 ! 0.4364  454:2  Ambig  2.21, 3.45 A
    or (resid   27 and name HG2*) (resid   27 and name   HB)                ! 0.2615  454:2  -----  2.41, 2.63 A
    or (resid   28 and name HD2*) (resid   28 and name  HB2)                ! 0.1078  454:2  -----  2.79, 3.86 A
assign (resid   27 and name HG1*) (resid   27 and name   HB) 2.30 0.50 0.50 ! 0.9801  455:2  Intra  2.42, 2.64 A
assign (resid   11 and name HD1*) (resid   11 and name HG11) 2.30 0.50 0.50 ! 0.0000  456:2  Intra  2.38, 2.62 A
assign (resid   17 and name   HB) (resid   17 and name HG2*) 2.30 0.50 0.50 ! 0.9910  457:2  Intra  2.43, 2.65 A
assign (resid   26 and name   HA) (resid   27 and name HG2*) 2.65 0.85 0.85 ! 0.8600  458:2  Seq    3.28, 4.52 A
assign (resid   36 and name   HA) (resid   36 and name   HG) 2.65 0.85 0.85 ! 0.7878  459:2  Ambig  3.11, 3.17 A
    or (resid   16 and name   HA) (resid   17 and name HG2*)                ! 0.2065  459:2  -----  3.88, 5.14 A
assign (resid   31 and name   HA) (resid   11 and name   HB) 2.30 0.50 0.50 ! 0.7519  460:2  Ambig  2.24, 2.74 A
    or (resid    3 and name   HA) (resid   20 and name  HB*)                ! 0.2481  460:2  -----  2.70, 3.67 A
assign (resid    9 and name  HA2) (resid   17 and name HG2*) 3.15 1.35 1.35 ! 0.0000  461:2  Long   2.25, 3.89 A
assign (resid   30 and name   HA) (resid   30 and name  HB2) 2.65 0.85 0.85 ! 0.9671  462:2  Intra  2.75, 2.82 A
assign (resid   31 and name   HA) (resid   30 and name  HB2) 3.15 1.35 1.35 ! 0.6023  464:2  Ambig  3.83, 3.99 A
    or (resid    3 and name   HA) (resid    1 and name HG2*)                ! 0.3977  464:2  -----  4.11, 7.33 A
assign (resid   24 and name   HA) (resid   24 and name HG2*) 2.65 0.85 0.85 ! 0.9984  465:2  Intra  2.38, 3.00 A
assign (resid    7 and name   HA) (resid    7 and name  HG2) 2.65 0.85 0.85 ! 0.9729  466:2  Intra  3.09, 3.17 A
assign (resid   36 and name   HA) (resid   36 and name HD2*) 2.30 0.50 0.50 ! 0.9898  467:2  Intra  2.08, 2.94 A
assign (resid   31 and name   HA) (resid   11 and name HG2*) 3.15 1.35 1.35 ! 0.9207  468:2  Long   4.38, 5.19 A
assign (resid   12 and name  HA1) (resid   11 and name HG2*) 2.65 0.85 0.85 ! 0.6609  469:2  Ambig  3.50, 4.71 A
    or (resid   10 and name  HA2) (resid   27 and name HG2*)                ! 0.3220  469:2  -----  3.95, 5.33 A
assign (resid   30 and name   HA) (resid   27 and name HG1*) 3.15 1.35 1.35 ! 0.0000  471:2  Mid    2.87, 3.21 A
assign (resid    1 and name   HB) (resid   20 and name  HB*) 3.15 1.35 1.35 ! 0.8532  472:2  Long   3.01, 4.37 A
assign (resid   20 and name   HA) (resid   20 and name  HB*) 2.30 0.50 0.50 ! 0.9728  474:2  Intra  2.43, 2.64 A
assign (resid    1 and name   HB) (resid    1 and name HG2*) 2.30 0.50 0.50 ! 0.9799  475:2  Intra  2.42, 2.65 A
assign (resid   20 and name   HA) (resid    1 and name HG2*) 2.65 0.85 0.85 ! 0.0000  476:2  Long   2.35, 3.54 A
assign (resid    1 and name   HA) (resid    1 and name HG2*) 2.30 0.50 0.50 ! 0.9582  477:2  Intra  2.36, 2.98 A
assign (resid   24 and name   HB) (resid   24 and name HG2*) 2.30 0.50 0.50 ! 0.0000  478:2  Intra  2.43, 2.65 A
assign (resid   18 and name   HA) (resid   18 and name HG2*) 2.30 0.50 0.50 ! 0.4157  479:2  Ambig  2.49, 3.15 A
    or (resid   18 and name   HA) (resid   18 and name HG1*)                ! 0.4067  479:2  -----  2.50, 3.13 A
assign (resid    1 and name   HA) (resid   18 and name HG1*) 3.15 1.35 1.35 ! 0.9456  480:2  Long   3.21, 4.85 A
assign (resid   27 and name   HA) (resid   27 and name HG2*) 2.30 0.50 0.50 ! 0.9645  481:2  Intra  2.54, 3.20 A
assign (resid   27 and name   HA) (resid   27 and name HG1*) 2.30 0.50 0.50 ! 0.0000  483:2  Intra  2.51, 3.13 A
assign (resid   11 and name   HA) (resid   11 and name   HB) 2.65 0.85 0.85 ! 0.0000  484:2  Intra  3.03, 3.04 A
assign (resid   11 and name   HA) (resid   11 and name HG12) 2.65 0.85 0.85 ! 0.0000  485:2  Intra  2.51, 2.57 A
assign (resid   11 and name   HA) (resid   11 and name HG2*) 2.30 0.50 0.50 ! 0.0000  486:2  Intra  2.50, 3.14 A
assign (resid   30 and name  HG2) (resid   30 and name  HB2) 2.65 0.85 0.85 ! 0.0000  489:2  Intra  2.22, 2.25 A
assign (resid   28 and name  HB2) (resid   28 and name HD1*) 2.65 0.85 0.85 ! 0.9429  490:2  Intra  2.33, 3.10 A
assign (resid   28 and name   HG) (resid   28 and name HD1*) 2.65 0.85 0.85 ! 0.5322  491:2  Ambig  2.38, 2.62 A
    or (resid   28 and name  HB1) (resid   28 and name HD1*)                ! 0.4670  491:2  -----  2.43, 3.11 A
assign (resid   18 and name   HB) (resid   18 and name HG2*) 2.30 0.50 0.50 ! 0.5133  492:2  Ambig  2.41, 2.64 A
    or (resid   18 and name   HB) (resid   18 and name HG1*)                ! 0.4867  492:2  -----  2.43, 2.64 A
assign (resid   28 and name  HB1) (resid   28 and name HD2*) 2.65 0.85 0.85 ! 0.5161  493:2  Ambig  2.32, 3.18 A
    or (resid   28 and name   HG) (resid   28 and name HD2*)                ! 0.4368  493:2  -----  2.38, 2.63 A
assign (resid   26 and name  HB2) (resid   36 and name HD1*) 2.30 0.50 0.50 ! 0.4766  494:2  Ambig  2.21, 3.45 A
    or (resid   27 and name   HB) (resid   27 and name HG2*)                ! 0.2856  494:2  -----  2.41, 2.63 A
    or (resid   28 and name  HB2) (resid   28 and name HD2*)                ! 0.1177  494:2  -----  2.79, 3.86 A
assign (resid   27 and name   HB) (resid   27 and name HG1*) 2.30 0.50 0.50 ! 0.9859  495:2  Intra  2.42, 2.64 A
assign (resid   36 and name  HB*) (resid   36 and name HD1*) 2.30 0.50 0.50 ! 0.9861  497:2  Intra  2.44, 3.07 A
assign (resid   11 and name HD1*) (resid   11 and name   HB) 2.30 0.50 0.50 ! 0.0000  498:2  Intra  2.51, 3.13 A
assign (resid   11 and name HD1*) (resid   11 and name HG2*) 2.30 0.50 0.50 ! 0.0000  500:2  Intra  2.04, 3.71 A
assign (resid   31 and name   HA) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.8836  501:2  Long   2.94, 4.96 A
assign (resid   36 and name   HA) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.9615  502:2  Long   3.72, 5.02 A
assign (resid   22 and name  HA1) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.9284  503:2  Seq    3.60, 4.70 A
assign (resid   30 and name   HA) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.9494  504:2  Long   3.37, 4.38 A
assign (resid    4 and name   HA) (resid   23 and name HG2*) 2.65 0.85 0.85 ! 0.9978  505:2  Long   2.30, 3.52 A
assign (resid   23 and name   HB) (resid   23 and name HG2*) 2.30 0.50 0.50 ! 0.9988  506:2  Intra  2.39, 2.63 A
assign (resid    4 and name  HB1) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  507:2  Long   3.62, 4.55 A
assign (resid   35 and name  HB2) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  508:2  Long   4.02, 5.06 A
assign (resid    4 and name  HB2) (resid   23 and name HG2*) 2.65 0.85 0.85 ! 0.0000  509:2  Long   2.01, 3.00 A
assign (resid   30 and name  HB1) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.9904  510:2  Long   2.41, 3.52 A
assign (resid   11 and name HG11) (resid   11 and name HD1*) 2.30 0.50 0.50 ! 0.0000  511:2  Intra  2.38, 2.62 A
assign (resid   36 and name   HN) (resid   24 and name   HN) 3.15 1.35 1.35 ! 0.9985  512:2  Long   2.63, 2.78 A
assign (resid   34 and name   HN) (resid   28 and name   HN) 3.15 1.35 1.35 ! 0.7912  513:2  Ambig  3.23, 3.50 A
    or (resid   34 and name   HN) (resid   27 and name   HN)                ! 0.0875  513:2  -----  4.67, 4.85 A
assign (resid   36 and name   HN) (resid   35 and name   HN) 3.15 1.35 1.35 ! 0.4914  514:2  Ambig  4.22, 4.26 A
    or (resid   34 and name   HN) (resid   35 and name   HN)                ! 0.4186  514:2  -----  4.33, 4.36 A
assign (resid   28 and name   HN) (resid   34 and name   HN) 3.15 1.35 1.35 ! 0.7332  515:2  Ambig  3.23, 3.50 A
    or (resid   27 and name   HN) (resid   26 and name   HN)                ! 0.1387  515:2  -----  4.27, 4.35 A
assign (resid   35 and name   HN) (resid   36 and name   HN) 3.15 1.35 1.35 ! 0.3766  516:2  Ambig  4.22, 4.26 A
    or (resid   35 and name   HN) (resid   34 and name   HN)                ! 0.3208  516:2  -----  4.33, 4.36 A
    or (resid   35 and name   HN) (resid   26 and name   HN)                ! 0.2879  516:2  -----  4.41, 4.54 A
assign (resid   31 and name  HE*) (resid   30 and name  HD2) 3.65 1.85 1.85 ! 0.0000  518:2  Seq    4.16, 6.24 A
assign (resid   33 and name   HN) (resid   10 and name  HA1) 3.65 1.85 1.85 ! 0.9719  519:2  Long   3.01, 3.34 A
assign (resid    9 and name   HN) (resid   33 and name  HB1) 3.65 1.85 1.85 ! 0.9748  520:2  Long   3.32, 3.65 A
assign (resid   33 and name   HN) (resid    7 and name   HA) 3.65 1.85 1.85 ! 0.6246  521:2  Ambig  3.41, 3.84 A
    or (resid   33 and name   HN) (resid   10 and name  HA2)                ! 0.2848  521:2  -----  3.89, 4.21 A
assign (resid   29 and name   HA) (resid   30 and name  HD2) 2.65 0.85 0.85 ! 0.0000  522:2  Seq    3.04, 3.10 A
assign (resid   29 and name   HA) (resid   29 and name  HB*) 2.30 0.50 0.50 ! 0.0000  523:2  Intra  2.38, 2.50 A
assign (resid   29 and name   HA) (resid   30 and name  HD1) 2.30 0.50 0.50 ! 0.0000  524:2  Seq    2.44, 2.61 A
assign (resid   16 and name   HA) (resid   16 and name  HD1) 3.15 1.35 1.35 ! 0.7096  525:2  Ambig  3.68, 3.86 A
    or (resid   24 and name   HA) (resid   19 and name  HB1)                ! 0.2423  525:2  -----  4.40, 4.73 A
assign (resid   31 and name   HN) (resid   31 and name  HB1) 3.65 1.85 1.85 ! 0.0000  526:2  Intra  3.64, 3.68 A
assign (resid    4 and name  HE1) (resid   36 and name   HA) 3.65 1.85 1.85 ! 0.5614  527:2  Ambig  4.82, 5.06 A
    or (resid   35 and name   HN) (resid   36 and name   HA)                ! 0.3843  527:2  -----  5.13, 5.26 A
assign (resid    8 and name   HN) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.9871  528:2  Seq    2.93, 3.29 A
assign (resid   31 and name  HD*) (resid   31 and name   HN) 3.15 1.35 1.35 ! 0.0000  529:2  Intra  2.12, 3.64 A
assign (resid   31 and name  HD*) (resid   30 and name  HB1) 3.65 1.85 1.85 ! 0.0000  530:2  Seq    4.13, 5.80 A
assign (resid   31 and name  HD*) (resid   30 and name  HG2) 3.65 1.85 1.85 ! 0.0000  531:2  Seq    2.55, 4.45 A
assign (resid   31 and name  HE*) (resid   30 and name  HG2) 3.65 1.85 1.85 ! 0.9580  532:2  Seq    2.62, 4.50 A
assign (resid   26 and name HE22) (resid   26 and name  HG2) 3.65 1.85 1.85 ! 0.8021  533:2  Intra  3.46, 3.74 A
assign (resid   31 and name  HD*) (resid   11 and name HG11) 3.65 1.85 1.85 ! 0.0000  534:2  Long   4.53, 5.68 A
assign (resid   13 and name  HE*) (resid   13 and name  HB1) 3.65 1.85 1.85 ! 0.7265  535:2  Ambig  4.57, 5.05 A
    or (resid    5 and name  HE*) (resid    4 and name  HB2)                ! 0.2735  535:2  -----  5.38, 7.22 A
assign (resid   32 and name  HD*) (resid   32 and name   HN) 3.65 1.85 1.85 ! 0.8121  536:2  Intra  4.65, 4.83 A
assign (resid   31 and name  HD*) (resid   32 and name   HN) 3.65 1.85 1.85 ! 0.0000  537:2  Seq    3.89, 4.96 A
assign (resid   29 and name   HA) (resid   29 and name   HN) 3.15 1.35 1.35 ! 0.9027  538:2  Intra  2.80, 2.85 A
assign (resid   29 and name   HA) (resid   30 and name  HG1) 3.65 1.85 1.85 ! 0.0000  539:2  Seq    4.72, 4.85 A
assign (resid   29 and name   HA) (resid   30 and name  HG2) 3.65 1.85 1.85 ! 0.0000  540:2  Seq    4.93, 5.03 A
assign (resid   29 and name   HA) (resid   27 and name HG1*) 3.15 1.35 1.35 ! 0.0000  541:2  Mid    3.30, 4.46 A
assign (resid   35 and name   HA) (resid   36 and name   HG) 3.15 1.35 1.35 ! 0.0000  542:2  Seq    4.13, 4.22 A
assign (resid   30 and name  HD1) (resid   30 and name  HG2) 2.65 0.85 0.85 ! 0.9478  543:2  Intra  2.87, 2.93 A
assign (resid   30 and name  HD2) (resid   30 and name  HB2) 3.15 1.35 1.35 ! 0.0000  544:2  Intra  3.61, 3.77 A
assign (resid   33 and name  HB1) (resid   27 and name HG2*) 3.65 1.85 1.85 ! 0.9926  545:2  Long   2.74, 3.88 A
assign (resid   16 and name  HD2) (resid   16 and name  HB1) 3.15 1.35 1.35 ! 0.0000  546:2  Intra  3.85, 3.88 A
assign (resid   16 and name  HD2) (resid    2 and name  HG1) 3.15 1.35 1.35 ! 0.8163  547:2  Long   3.35, 4.32 A
assign (resid   16 and name  HD2) (resid   16 and name  HB2) 3.15 1.35 1.35 ! 0.7776  548:2  Ambig  2.86, 3.00 A
    or (resid   16 and name  HD2) (resid    2 and name  HB2)                ! 0.2036  548:2  -----  3.57, 4.53 A
assign (resid   30 and name  HD2) (resid   30 and name  HG1) 2.65 0.85 0.85 ! 0.9935  549:2  Intra  2.69, 2.76 A
assign (resid   30 and name  HD2) (resid   30 and name  HG2) 2.65 0.85 0.85 ! 0.0000  550:2  Intra  2.18, 2.20 A
assign (resid   10 and name  HA1) (resid   33 and name  HB2) 2.65 0.85 0.85 ! 0.4203  551:2  Ambig  3.30, 3.73 A
    or (resid   10 and name  HA1) (resid   13 and name  HB2)                ! 0.2677  551:2  -----  3.56, 4.25 A
    or (resid    9 and name  HA1) (resid   33 and name  HB2)                ! 0.1956  551:2  -----  3.75, 4.03 A
assign (resid   23 and name   HB) (resid   35 and name  HB2) 3.15 1.35 1.35 ! 0.0000  552:2  Long   3.21, 3.50 A
assign (resid   23 and name   HB) (resid   35 and name  HB1) 3.15 1.35 1.35 ! 0.9967  553:2  Long   2.09, 2.30 A
assign (resid   30 and name  HD1) (resid   29 and name  HB*) 2.30 0.50 0.50 ! 0.0000  554:2  Seq    2.85, 3.51 A
assign (resid   30 and name  HD2) (resid   29 and name  HB*) 2.30 0.50 0.50 ! 0.0000  555:2  Seq    1.83, 2.71 A
assign (resid   19 and name  HB1) (resid   35 and name  HB1) 3.15 1.35 1.35 ! 0.9982  556:2  Long   2.10, 2.16 A
assign (resid   19 and name  HB1) (resid   35 and name  HB2) 2.65 0.85 0.85 ! 0.0000  557:2  Long   3.44, 3.50 A
assign (resid    6 and name  HA2) (resid    2 and name  HG1) 4.15 2.35 2.35 ! 0.0000  558:2  Mid    5.70, 5.91 A
assign (resid   30 and name  HD1) (resid   29 and name   HA) 2.30 0.50 0.50 ! 0.0000  559:2  Seq    2.44, 2.61 A
assign (resid    1 and name   HA) (resid    1 and name   HB) 2.65 0.85 0.85 ! 0.9523  560:2  Intra  2.51, 2.62 A
assign (resid    3 and name  HB1) (resid    3 and name   HA) 2.30 0.50 0.50 ! 0.0000  561:2  Intra  2.28, 2.36 A
assign (resid    1 and name   HB) (resid    1 and name   HA) 2.65 0.85 0.85 ! 0.9539  563:2  Intra  2.51, 2.62 A
assign (resid   36 and name   HA) (resid   23 and name   HB) 3.15 1.35 1.35 ! 0.7716  564:2  Ambig  3.64, 3.91 A
    or (resid   24 and name   HA) (resid   23 and name   HB)                ! 0.2284  564:2  -----  4.46, 4.61 A
assign (resid   16 and name   HA) (resid   16 and name  HD2) 3.65 1.85 1.85 ! 0.0000  565:2  Intra  3.88, 3.91 A
assign (resid   19 and name   HA) (resid    1 and name   HA) 3.65 1.85 1.85 ! 0.9694  566:2  Long   3.27, 4.12 A
assign (resid   23 and name   HA) (resid   23 and name   HB) 2.30 0.50 0.50 ! 0.6027  567:2  Ambig  2.45, 2.49 A
    or (resid   14 and name   HA) (resid  101 and name   H2)                ! 0.3936  567:2  -----  2.63, 4.87 A
assign (resid   17 and name   HA) (resid    8 and name   HA) 2.65 0.85 0.85 ! 0.9195  568:2  Long   2.94, 3.29 A
assign (resid    9 and name  HA1) (resid    9 and name   HN) 3.15 1.35 1.35 ! 0.9867  569:2  Intra  2.72, 2.83 A
assign (resid    9 and name  HA1) (resid   13 and name  HD*) 3.15 1.35 1.35 ! 0.9123  570:2  Mid    2.68, 5.12 A
assign (resid   23 and name   HB) (resid    4 and name  HD2) 3.65 1.85 1.85 ! 0.9906  571:2  Long   2.90, 3.37 A
assign (resid   33 and name  HB1) (resid    9 and name   HN) 3.15 1.35 1.35 ! 0.6620  572:2  Ambig  3.32, 3.65 A
    or (resid   33 and name  HB1) (resid   33 and name   HN)                ! 0.3380  572:2  -----  3.72, 3.76 A
assign (resid    5 and name   HA) (resid    5 and name  HE*) 3.65 1.85 1.85 ! 0.6628  573:2  Ambig  4.37, 5.20 A
    or (resid    5 and name   HA) (resid   32 and name  HE*)                ! 0.2195  573:2  -----  5.26, 6.74 A
assign (resid   30 and name  HD2) (resid   31 and name  HD*) 3.65 1.85 1.85 ! 0.8556  574:2  Seq    3.22, 5.44 A
assign (resid    6 and name  HA1) (resid    7 and name   HN) 3.65 1.85 1.85 ! 0.6267  575:2  Ambig  2.63, 2.77 A
    or (resid    6 and name  HA1) (resid    2 and name HE21)                ! 0.2429  575:2  -----  3.07, 3.29 A
assign (resid   31 and name  HB1) (resid   31 and name   HN) 3.65 1.85 1.85 ! 0.9230  576:2  Intra  3.64, 3.68 A
assign (resid   10 and name  HA1) (resid   11 and name   HN) 3.15 1.35 1.35 ! 0.9973  577:2  Seq    2.39, 2.58 A
assign (resid   10 and name  HA1) (resid   32 and name   HN) 3.65 1.85 1.85 ! 0.6076  578:2  Ambig  4.20, 4.47 A
    or (resid    9 and name  HA1) (resid    8 and name   HN)                ! 0.3000  578:2  -----  4.72, 4.98 A
assign (resid    6 and name  HA2) (resid    7 and name   HN) 3.65 1.85 1.85 ! 0.8947  579:2  Seq    2.29, 2.42 A
assign (resid   31 and name   HA) (resid   31 and name   HN) 3.65 1.85 1.85 ! 0.9913  580:2  Intra  2.91, 2.94 A
assign (resid   10 and name  HA2) (resid   11 and name   HN) 3.65 1.85 1.85 ! 0.9927  581:2  Seq    2.34, 2.57 A
assign (resid   10 and name  HA2) (resid   33 and name   HN) 3.65 1.85 1.85 ! 0.6312  582:2  Ambig  3.89, 4.21 A
    or (resid   12 and name  HA1) (resid   31 and name  HE*)                ! 0.3688  582:2  -----  4.25, 6.70 A
assign (resid   21 and name   HA) (resid   23 and name   HN) 3.65 1.85 1.85 ! 0.9658  583:2  Mid    3.24, 3.43 A
assign (resid   30 and name  HD1) (resid   31 and name   HN) 3.65 1.85 1.85 ! 0.4677  584:2  Ambig  4.12, 4.24 A
    or (resid    3 and name  HB2) (resid    2 and name HE21)                ! 0.2700  584:2  -----  4.51, 5.86 A
    or (resid   30 and name  HD1) (resid   29 and name   HN)                ! 0.1716  584:2  -----  4.87, 4.97 A
assign (resid    3 and name  HB2) (resid    2 and name HE22) 4.15 2.35 2.35 ! 0.8596  585:2  Seq    3.37, 4.82 A
assign (resid   30 and name  HD2) (resid   29 and name   HN) 3.65 1.85 1.85 ! 0.9083  586:2  Seq    4.71, 4.81 A
assign (resid   35 and name  HB1) (resid   36 and name   HN) 3.15 1.35 1.35 ! 0.7255  587:2  Ambig  3.55, 3.66 A
    or (resid   13 and name  HB1) (resid   12 and name   HN)                ! 0.1894  587:2  -----  4.45, 4.73 A
assign (resid   13 and name  HB2) (resid   10 and name   HN) 3.65 1.85 1.85 ! 0.5271  588:2  Ambig  2.37, 2.95 A
    or (resid    8 and name  HB1) (resid    2 and name HE21)                ! 0.3609  588:2  -----  2.52, 2.91 A
assign (resid   32 and name  HB1) (resid   29 and name   HN) 3.65 1.85 1.85 ! 0.7462  589:2  Ambig  3.06, 3.40 A
    or (resid   32 and name  HB1) (resid   28 and name   HN)                ! 0.1754  589:2  -----  3.89, 4.39 A
assign (resid   29 and name  HB*) (resid   29 and name HD22) 3.65 1.85 1.85 ! 0.7765  590:2  Ambig  3.40, 3.71 A
    or (resid   29 and name  HB*) (resid   31 and name  HD*)                ! 0.2235  590:2  -----  4.18, 7.10 A
assign (resid  101 and name   H4) (resid  101 and name   H1) 2.30 0.50 0.50 ! 0.4669  591:2  Ambig  2.14, 3.75 A
    or (resid   14 and name  HB1) (resid   14 and name   HA)                ! 0.2710  591:2  -----  2.34, 2.42 A
    or (resid   14 and name  HB1) (resid  101 and name   H1)                ! 0.2433  591:2  -----  2.38, 2.87 A
assign (resid   35 and name  HB1) (resid   23 and name   HB) 3.15 1.35 1.35 ! 0.9273  595:2  Long   2.09, 2.30 A
assign (resid   35 and name  HB2) (resid   19 and name  HB2) 3.65 1.85 1.85 ! 0.6184  596:2  Ambig  4.68, 4.89 A
    or (resid   35 and name  HB2) (resid    2 and name  HG2)                ! 0.3816  596:2  -----  5.07, 6.36 A
assign (resid   29 and name  HB*) (resid   30 and name  HG2) 3.65 1.85 1.85 ! 0.0000  597:2  Seq    3.92, 4.86 A
assign (resid   29 and name  HB*) (resid   28 and name  HB2) 3.65 1.85 1.85 ! 0.6470  598:2  Ambig  4.02, 5.04 A
    or (resid   29 and name  HB*) (resid   30 and name  HG1)                ! 0.3385  598:2  -----  4.48, 5.34 A
assign (resid   16 and name  HD2) (resid    2 and name  HG2) 3.15 1.35 1.35 ! 0.6649  600:2  Ambig  3.06, 3.89 A
    or (resid    6 and name  HA1) (resid    2 and name  HG2)                ! 0.3351  600:2  -----  3.43, 4.71 A
assign (resid   19 and name  HB1) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.0000  601:2  Mid    4.16, 4.90 A
assign (resid    1 and name   HA) (resid   16 and name  HB2) 3.65 1.85 1.85 ! 0.7404  602:2  Ambig  3.27, 4.24 A
    or (resid    1 and name   HA) (resid    2 and name  HB2)                ! 0.2370  602:2  -----  3.95, 4.15 A
assign (resid   26 and name  HG1) (resid   26 and name  HB2) 3.15 1.35 1.35 ! 0.9986  603:2  Intra  2.36, 2.42 A
assign (resid   26 and name  HG1) (resid   26 and name  HB1) 2.65 0.85 0.85 ! 0.9965  604:2  Intra  2.41, 2.89 A
assign (resid    7 and name  HG1) (resid    7 and name  HB1) 3.15 1.35 1.35 ! 0.0000  605:2  Intra  3.00, 3.02 A
assign (resid   16 and name  HB1) (resid   16 and name  HD2) 3.65 1.85 1.85 ! 0.0000  609:2  Intra  3.85, 3.88 A
assign (resid   30 and name  HG2) (resid   29 and name  HB*) 3.65 1.85 1.85 ! 0.0000  610:2  Seq    3.92, 4.86 A
assign (resid   19 and name  HB2) (resid   35 and name  HB2) 3.65 1.85 1.85 ! 0.0000  611:2  Long   4.68, 4.89 A
assign (resid   16 and name  HB1) (resid   16 and name  HD1) 3.65 1.85 1.85 ! 0.8789  612:2  Intra  3.84, 4.03 A
assign (resid   35 and name  HB2) (resid   19 and name  HB1) 3.15 1.35 1.35 ! 0.0000  613:2  Long   3.44, 3.50 A
assign (resid   25 and name  HB2) (resid    8 and name  HB2) 3.15 1.35 1.35 ! 0.0000  614:2  Long   2.31, 2.75 A
assign (resid    7 and name  HG1) (resid    8 and name   HN) 3.15 1.35 1.35 ! 0.9697  615:2  Seq    2.93, 3.29 A
assign (resid    7 and name  HB2) (resid   32 and name  HD*) 3.65 1.85 1.85 ! 0.9278  616:2  Long   2.99, 4.74 A
assign (resid   28 and name  HB2) (resid   33 and name   HA) 3.65 1.85 1.85 ! 0.8476  617:2  Long   3.31, 3.87 A
assign (resid   18 and name   HB) (resid    1 and name HG2*) 3.15 1.35 1.35 ! 0.0000  618:2  Long   2.33, 4.09 A
assign (resid   30 and name  HG1) (resid   30 and name  HB2) 3.15 1.35 1.35 ! 0.9736  619:2  Intra  2.68, 2.78 A
assign (resid   34 and name  HB1) (resid   36 and name   HG) 3.15 1.35 1.35 ! 0.0000  620:2  Mid    2.96, 3.34 A
assign (resid   26 and name  HB1) (resid   36 and name   HG) 3.65 1.85 1.85 ! 0.0000  621:2  Long   4.25, 4.49 A
assign (resid   11 and name   HB) (resid   11 and name HD1*) 2.30 0.50 0.50 ! 0.0000  622:2  Intra  2.51, 3.13 A
assign (resid   36 and name   HG) (resid   36 and name HD1*) 2.30 0.50 0.50 ! 0.4751  623:2  Ambig  2.39, 2.62 A
    or (resid   36 and name   HG) (resid   36 and name HD2*)                ! 0.4373  623:2  -----  2.43, 2.64 A
assign (resid   11 and name   HB) (resid   11 and name HG2*) 2.30 0.50 0.50 ! 0.0000  624:2  Intra  2.44, 2.65 A
assign (resid    1 and name HG2*) (resid   18 and name HG1*) 2.65 0.85 0.85 ! 0.9763  625:2  Long   2.12, 4.20 A
assign (resid   11 and name HG12) (resid   11 and name HD1*) 2.30 0.50 0.50 ! 0.9935  626:2  Intra  2.39, 2.61 A
assign (resid   11 and name HG2*) (resid   11 and name HD1*) 2.30 0.50 0.50 ! 0.0000  627:2  Intra  2.04, 3.71 A
assign (resid   36 and name   HG) (resid   34 and name  HB1) 3.15 1.35 1.35 ! 0.0000  628:2  Mid    2.96, 3.34 A
assign (resid   36 and name   HG) (resid   34 and name  HG*) 3.15 1.35 1.35 ! 0.9634  629:2  Mid    2.46, 3.68 A
assign (resid   30 and name  HB2) (resid   30 and name  HG2) 2.65 0.85 0.85 ! 0.0000  630:2  Intra  2.22, 2.25 A
assign (resid   30 and name  HB2) (resid   30 and name  HG1) 3.15 1.35 1.35 ! 0.9736  631:2  Intra  2.68, 2.78 A
assign (resid   36 and name  HB*) (resid   36 and name   HG) 2.30 0.50 0.50 ! 0.0000  632:2  Intra  2.44, 2.74 A
assign (resid   36 and name   HG) (resid   36 and name  HB*) 2.30 0.50 0.50 ! 0.9789  634:2  Intra  2.44, 2.74 A
assign (resid    7 and name  HB1) (resid    7 and name  HG1) 2.65 0.85 0.85 ! 0.0000  635:2  Intra  3.00, 3.02 A
assign (resid   36 and name  HB*) (resid   26 and name  HG1) 3.15 1.35 1.35 ! 0.0000  636:2  Long   2.27, 3.77 A
assign (resid   11 and name HG2*) (resid   11 and name   HB) 2.30 0.50 0.50 ! 0.0000  637:2  Intra  2.44, 2.65 A
assign (resid   36 and name HD2*) (resid   36 and name   HG) 2.30 0.50 0.50 ! 0.0000  638:2  Intra  2.43, 2.64 A
assign (resid   36 and name HD1*) (resid   36 and name  HB*) 2.30 0.50 0.50 ! 0.9556  639:2  Intra  2.44, 3.07 A
assign (resid   28 and name HD1*) (resid   28 and name   HG) 2.65 0.85 0.85 ! 0.5322  641:2  Ambig  2.38, 2.62 A
    or (resid   28 and name HD1*) (resid   28 and name  HB1)                ! 0.4670  641:2  -----  2.43, 3.11 A
assign (resid   28 and name HD1*) (resid   34 and name  HB1) 2.65 0.85 0.85 ! 0.5895  642:2  Ambig  2.17, 3.48 A
    or (resid   28 and name HD1*) (resid   28 and name  HB2)                ! 0.3862  642:2  -----  2.33, 3.10 A
assign (resid   28 and name HD2*) (resid   28 and name  HB1) 2.65 0.85 0.85 ! 0.5161  643:2  Ambig  2.32, 3.18 A
    or (resid   28 and name HD2*) (resid   28 and name   HG)                ! 0.4368  643:2  -----  2.38, 2.63 A
assign (resid   11 and name HG12) (resid   11 and name   HA) 2.65 0.85 0.85 ! 0.9821  644:2  Intra  2.51, 2.57 A
assign (resid   11 and name   HB) (resid   11 and name   HA) 3.15 1.35 1.35 ! 0.9056  645:2  Intra  3.03, 3.04 A
assign (resid   17 and name HG2*) (resid    9 and name  HA1) 3.15 1.35 1.35 ! 0.9762  646:2  Long   1.92, 3.24 A
assign (resid   11 and name   HB) (resid   31 and name   HA) 3.15 1.35 1.35 ! 0.0000  647:2  Long   2.24, 2.74 A
assign (resid    7 and name  HG2) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.5053  648:2  Ambig  3.09, 3.17 A
    or (resid    7 and name  HG2) (resid    9 and name  HA2)                ! 0.4574  648:2  -----  3.14, 3.81 A
assign (resid   28 and name HD1*) (resid   28 and name   HA) 3.65 1.85 1.85 ! 0.9527  649:2  Intra  3.39, 4.61 A
assign (resid   11 and name HG2*) (resid   31 and name   HA) 3.15 1.35 1.35 ! 0.9207  650:2  Long   4.38, 5.19 A
assign (resid   36 and name HD1*) (resid   36 and name   HA) 3.15 1.35 1.35 ! 0.0000  651:2  Intra  4.37, 4.69 A
assign (resid   36 and name   HG) (resid   36 and name   HA) 3.15 1.35 1.35 ! 0.9928  653:2  Intra  3.11, 3.17 A
assign (resid   27 and name HG2*) (resid   26 and name   HA) 3.15 1.35 1.35 ! 0.8978  654:2  Seq    3.28, 4.52 A
assign (resid   30 and name  HB2) (resid   31 and name   HA) 3.15 1.35 1.35 ! 0.6023  655:2  Ambig  3.83, 3.99 A
    or (resid    1 and name HG2*) (resid    3 and name   HA)                ! 0.3977  655:2  -----  4.11, 7.33 A
assign (resid   28 and name HD2*) (resid   32 and name  HD*) 3.15 1.35 1.35 ! 0.0000  657:2  Mid    2.26, 6.92 A
assign (resid    7 and name  HG2) (resid    9 and name   HN) 2.65 0.85 0.85 ! 0.9110  658:2  Mid    2.27, 3.10 A
assign (resid   36 and name HD2*) (resid   36 and name   HN) 3.65 1.85 1.85 ! 0.5796  659:2  Ambig  3.81, 4.62 A
    or (resid   11 and name HG12) (resid   12 and name   HN)                ! 0.2922  659:2  -----  4.27, 4.51 A
assign (resid   28 and name HD1*) (resid   28 and name   HN) 3.65 1.85 1.85 ! 0.9051  660:2  Intra  1.97, 4.67 A
assign (resid   28 and name HD1*) (resid   34 and name   HN) 3.65 1.85 1.85 ! 0.9693  661:2  Long   2.48, 4.90 A
assign (resid   24 and name HG2*) (resid   24 and name   HN) 3.65 1.85 1.85 ! 0.0000  662:2  Intra  2.96, 3.88 A
assign (resid    7 and name  HG2) (resid    8 and name   HN) 3.65 1.85 1.85 ! 0.9423  663:2  Seq    3.12, 3.39 A
assign (resid   11 and name   HB) (resid   11 and name   HN) 3.65 1.85 1.85 ! 0.0000  664:2  Intra  2.42, 2.52 A
assign (resid   11 and name HG11) (resid   11 and name   HN) 3.65 1.85 1.85 ! 0.0000  665:2  Intra  1.94, 2.06 A
assign (resid   34 and name  HB2) (resid   35 and name   HN) 3.65 1.85 1.85 ! 0.0000  666:2  Seq    3.87, 3.96 A
assign (resid   17 and name HG2*) (resid   13 and name  HD*) 3.65 1.85 1.85 ! 0.0000  667:2  Mid    2.94, 6.01 A
assign (resid   28 and name HD2*) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.9838  669:2  Mid    2.44, 7.30 A
assign (resid   27 and name HG2*) (resid   33 and name   HA) 3.65 1.85 1.85 ! 0.7577  670:2  Ambig  3.73, 5.01 A
    or (resid   28 and name HD2*) (resid   33 and name   HA)                ! 0.2135  670:2  -----  4.61, 5.67 A
assign (resid   28 and name HD1*) (resid   33 and name   HA) 3.65 1.85 1.85 ! 0.9331  671:2  Long   2.62, 5.36 A
assign (resid   17 and name HG2*) (resid    8 and name   HA) 3.65 1.85 1.85 ! 0.0000  672:2  Long   4.42, 5.59 A
assign (resid   28 and name   HG) (resid   27 and name   HA) 3.65 1.85 1.85 ! 0.6012  673:2  Ambig  3.92, 4.55 A
    or (resid   28 and name  HB1) (resid   27 and name   HA)                ! 0.2284  673:2  -----  4.61, 5.58 A
assign (resid   27 and name HG2*) (resid   33 and name  HB2) 3.65 1.85 1.85 ! 0.7811  674:2  Ambig  3.84, 5.11 A
    or (resid   28 and name HD2*) (resid   32 and name  HB2)                ! 0.1738  674:2  -----  4.93, 7.99 A
assign (resid    7 and name  HG2) (resid   13 and name  HB2) 3.65 1.85 1.85 ! 0.8310  675:2  Long   2.93, 3.73 A
assign (resid   23 and name HG2*) (resid    4 and name  HB1) 3.15 1.35 1.35 ! 0.6518  676:2  Ambig  3.62, 4.55 A
    or (resid   23 and name HG2*) (resid   35 and name  HB2)                ! 0.3482  676:2  -----  4.02, 5.06 A
assign (resid   11 and name HD1*) (resid   30 and name   HA) 3.65 1.85 1.85 ! 0.9494  677:2  Long   3.37, 4.38 A
assign (resid   23 and name HG2*) (resid   22 and name  HA1) 3.65 1.85 1.85 ! 0.9284  679:2  Seq    3.60, 4.70 A
assign (resid   11 and name HD1*) (resid   31 and name   HA) 3.65 1.85 1.85 ! 0.8836  680:2  Long   2.94, 4.96 A
assign (resid   23 and name HG2*) (resid   23 and name   HN) 3.65 1.85 1.85 ! 0.9340  681:2  Intra  2.75, 3.72 A
assign (resid   27 and name HG1*) (resid   11 and name HD1*) 3.65 1.85 1.85 ! 0.0000  682:2  Long   5.60, 6.84 A
assign (resid   15 and name  HA1) (resid   16 and name  HG1) 3.15 1.35 1.35 ! 0.6057  683:2  Ambig  4.14, 4.35 A
    or (resid   15 and name  HA1) (resid   16 and name  HG2)                ! 0.3943  683:2  -----  4.45, 4.55 A
assign (resid   30 and name  HD1) (resid   30 and name  HB1) 3.65 1.85 1.85 ! 0.6575  684:2  Ambig  3.12, 3.45 A
    or (resid    3 and name  HB2) (resid    2 and name  HG2)                ! 0.3127  684:2  -----  3.53, 6.10 A
assign (resid   32 and name  HD*) (resid   32 and name  HB2) 2.30 0.50 0.50 ! 0.9960  685:2  Intra  2.42, 3.05 A
assign (resid    9 and name   HN) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.0000  686:2  Mid    3.25, 3.42 A
assign (resid   28 and name   HN) (resid   27 and name HG1*) 3.15 1.35 1.35 ! 0.7581  687:2  Ambig  3.34, 4.13 A
    or (resid   27 and name   HN) (resid   27 and name HG1*)                ! 0.1540  687:2  -----  4.36, 4.54 A
assign (resid   26 and name  HB2) (resid   26 and name   HN) 2.65 0.85 0.85 ! 0.7516  688:2  Ambig  2.38, 2.43 A
    or (resid   28 and name  HB2) (resid   34 and name   HN)                ! 0.0897  688:2  -----  3.40, 4.58 A
assign (resid   30 and name  HB2) (resid   30 and name  HD2) 3.15 1.35 1.35 ! 0.0000  689:2  Intra  3.61, 3.77 A
assign (resid   27 and name HG2*) (resid   33 and name  HB1) 3.65 1.85 1.85 ! 0.9926  690:2  Long   2.74, 3.88 A
assign (resid    8 and name  HB1) (resid    2 and name  HB2) 3.65 1.85 1.85 ! 0.6724  692:2  Ambig  3.67, 4.21 A
    or (resid   32 and name  HB2) (resid   28 and name  HB1)                ! 0.1694  692:2  -----  4.61, 5.95 A
assign (resid   21 and name  HB*) (resid   20 and name  HB*) 3.15 1.35 1.35 ! 0.8931  693:2  Seq    3.95, 5.88 A
assign (resid    3 and name  HB2) (resid    3 and name   HA) 2.65 0.85 0.85 ! 0.9970  694:2  Intra  2.50, 2.73 A
assign (resid   19 and name  HB1) (resid   19 and name   HA) 2.65 0.85 0.85 ! 0.0000  695:2  Intra  2.35, 2.41 A
assign (resid   36 and name HD1*) (resid   36 and name   HG) 2.30 0.50 0.50 ! 0.8443  698:2  Intra  2.39, 2.62 A
assign (resid    7 and name  HG2) (resid    7 and name  HB2) 3.15 1.35 1.35 ! 0.8545  700:2  Intra  3.00, 3.01 A
assign (resid   13 and name  HE*) (resid    7 and name  HB1) 3.65 1.85 1.85 ! 0.0000  701:2  Long   2.74, 4.45 A
assign (resid   13 and name  HE*) (resid    7 and name  HB2) 3.65 1.85 1.85 ! 0.4554  702:2  Ambig  4.43, 6.00 A
    or (resid    5 and name  HE*) (resid   34 and name  HG*)                ! 0.3390  702:2  -----  4.65, 6.68 A
    or (resid   13 and name  HE*) (resid   16 and name  HG1)                ! 0.2056  702:2  -----  5.05, 6.68 A
assign (resid   13 and name  HE*) (resid   16 and name   HA) 3.65 1.85 1.85 ! 0.0000  703:2  Mid    4.29, 6.67 A
assign (resid   13 and name  HE*) (resid    7 and name   HA) 4.15 2.35 2.35 ! 0.0000  704:2  Long   5.07, 6.33 A
# Restraints file 2: talos.tbl
!    2 Q -105.598  139.601   19.296   15.516    1.122 0.723 25 13 Strong
assign (resid    1 and name C    ) (resid    2 and name N    )
       (resid    2 and name CA   ) (resid    2 and name C    )    1.0 -105.6   38.6 2
assign (resid    2 and name N    ) (resid    2 and name CA   )
       (resid    2 and name C    ) (resid    3 and name N    )    1.0  139.6   31.0 2

!    3 S  -73.808  144.631    9.920   15.809    1.005 0.758 25 15 Strong
assign (resid    2 and name C    ) (resid    3 and name N    )
       (resid    3 and name CA   ) (resid    3 and name C    )    1.0  -73.8   20.0 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name C    ) (resid    4 and name N    )    1.0  144.6   31.6 2

!    5 Y   60.538   33.117    6.924   12.633    1.712 0.773 25 14 Strong
assign (resid    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    1.0   60.5   20.0 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name C    ) (resid    6 and name N    )    1.0   33.1   25.3 2

!   10 G  -82.609  169.468   13.668   18.730    1.176 0.807 25 13 Strong
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0  -82.6   27.3 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0  169.5   37.5 2

!   11 I  -58.664  133.557    7.112    7.214    0.542 0.772 25 13 Strong
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0  -58.7   20.0 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    1.0  133.6   20.0 2

!   12 G   89.754   -2.060   10.532   12.051    0.548 0.774 25 14 Strong
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0   89.8   21.1 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0   -2.1   24.1 2

!   13 Y  -85.001  138.687   20.988   11.550    0.826 0.775 25 14 Strong
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0  -85.0   42.0 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  138.7   23.1 2

!   14 S -134.473  162.589   14.923    9.128    1.154 0.797 25 14 Strong
!assign (resid   13 and name C    ) (resid   14 and name N    )
!       (resid   14 and name CA   ) (resid   14 and name C    )    1.0 -134.5   29.8 2
!assign (resid   14 and name N    ) (resid   14 and name CA   )
!       (resid   14 and name C    ) (resid   15 and name N    )    1.0  162.6   20.0 2

!   17 T  -99.294    0.368   12.924   10.628    0.981 0.661 10 13 Generous
assign (resid   16 and name C    ) (resid   17 and name N    )
       (resid   17 and name CA   ) (resid   17 and name C    )    1.0  -99.3   38.8 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name C    ) (resid   18 and name N    )    1.0    0.4   31.9 2

!   18 V  -82.940  130.194   13.415    7.733    0.651 0.699 25 15 Strong
assign (resid   17 and name C    ) (resid   18 and name N    )
       (resid   18 and name CA   ) (resid   18 and name C    )    1.0  -82.9   26.8 2
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name C    ) (resid   19 and name N    )    1.0  130.2   20.0 2

!   19 c  -69.803  139.943    8.596   13.641    0.655 0.803 25 15 Strong
assign (resid   18 and name C    ) (resid   19 and name N    )
       (resid   19 and name CA   ) (resid   19 and name C    )    1.0  -69.8   20.0 2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name C    ) (resid   20 and name N    )    1.0  139.9   27.3 2

!   21 S  -57.547  132.586    5.735    6.671    0.278 0.769 25 14 Strong
assign (resid   20 and name C    ) (resid   21 and name N    )
       (resid   21 and name CA   ) (resid   21 and name C    )    1.0  -57.5   20.0 2
assign (resid   21 and name N    ) (resid   21 and name CA   )
       (resid   21 and name C    ) (resid   22 and name N    )    1.0  132.6   20.0 2

!   22 G   90.067    0.055    7.438    7.926    0.234 0.757 25 14 Strong
assign (resid   21 and name C    ) (resid   22 and name N    )
       (resid   22 and name CA   ) (resid   22 and name C    )    1.0   90.1   20.0 2
assign (resid   22 and name N    ) (resid   22 and name CA   )
       (resid   22 and name C    ) (resid   23 and name N    )    1.0    0.1   20.0 2

!   23 T -130.258  156.878    9.171    9.391    0.368 0.792 25 14 Strong
assign (resid   22 and name C    ) (resid   23 and name N    )
       (resid   23 and name CA   ) (resid   23 and name C    )    1.0 -130.3   20.0 2
assign (resid   23 and name N    ) (resid   23 and name CA   )
       (resid   23 and name C    ) (resid   24 and name N    )    1.0  156.9   20.0 2

!   24 T -128.884  147.959   14.248   10.069    0.405 0.808 25 15 Strong
assign (resid   23 and name C    ) (resid   24 and name N    )
       (resid   24 and name CA   ) (resid   24 and name C    )    1.0 -128.9   28.5 2
assign (resid   24 and name N    ) (resid   24 and name CA   )
       (resid   24 and name C    ) (resid   25 and name N    )    1.0  148.0   20.1 2

!   25 c  -71.110  131.342    7.699   16.550    0.544 0.814 25 15 Strong
assign (resid   24 and name C    ) (resid   25 and name N    )
       (resid   25 and name CA   ) (resid   25 and name C    )    1.0  -71.1   20.0 2
assign (resid   25 and name N    ) (resid   25 and name CA   )
       (resid   25 and name C    ) (resid   26 and name N    )    1.0  131.3   33.1 2

!   26 Q  -90.683  136.467   19.801   13.140    0.552 0.805 25 15 Strong
assign (resid   25 and name C    ) (resid   26 and name N    )
       (resid   26 and name CA   ) (resid   26 and name C    )    1.0  -90.7   39.6 2
assign (resid   26 and name N    ) (resid   26 and name CA   )
       (resid   26 and name C    ) (resid   27 and name N    )    1.0  136.5   26.3 2

!   27 V  -77.077  130.696   13.968   18.216    0.520 0.800 25 15 Strong
assign (resid   26 and name C    ) (resid   27 and name N    )
       (resid   27 and name CA   ) (resid   27 and name C    )    1.0  -77.1   27.9 2
assign (resid   27 and name N    ) (resid   27 and name CA   )
       (resid   27 and name C    ) (resid   28 and name N    )    1.0  130.7   36.4 2

!   30 P  -60.892  -23.154    5.066    8.398    0.765 0.804 25 13 Strong
assign (resid   29 and name C    ) (resid   30 and name N    )
       (resid   30 and name CA   ) (resid   30 and name C    )    1.0  -60.9   20.0 2
assign (resid   30 and name N    ) (resid   30 and name CA   )
       (resid   30 and name C    ) (resid   31 and name N    )    1.0  -23.2   20.0 2

!   31 Y  -96.710   -3.404    8.638    9.747    0.666 0.818 25 13 Strong
assign (resid   30 and name C    ) (resid   31 and name N    )
       (resid   31 and name CA   ) (resid   31 and name C    )    1.0  -96.7   20.0 2
assign (resid   31 and name N    ) (resid   31 and name CA   )
       (resid   31 and name C    ) (resid   32 and name N    )    1.0   -3.4   20.0 2

!   32 Y  -69.415  135.981   10.674    6.939    0.858 0.848 25 15 Strong
assign (resid   31 and name C    ) (resid   32 and name N    )
       (resid   32 and name CA   ) (resid   32 and name C    )    1.0  -69.4   21.3 2
assign (resid   32 and name N    ) (resid   32 and name CA   )
       (resid   32 and name C    ) (resid   33 and name N    )    1.0  136.0   20.0 2

!   33 S -116.055  134.452   13.902   11.250    0.908 0.877 25 15 Strong
assign (resid   32 and name C    ) (resid   33 and name N    )
       (resid   33 and name CA   ) (resid   33 and name C    )    1.0 -116.1   27.8 2
assign (resid   33 and name N    ) (resid   33 and name CA   )
       (resid   33 and name C    ) (resid   34 and name N    )    1.0  134.5   22.5 2

!   34 Q -133.546  142.472    9.996   12.340    1.044 0.886 25 15 Strong
assign (resid   33 and name C    ) (resid   34 and name N    )
       (resid   34 and name CA   ) (resid   34 and name C    )    1.0 -133.5   20.0 2
assign (resid   34 and name N    ) (resid   34 and name CA   )
       (resid   34 and name C    ) (resid   35 and name N    )    1.0  142.5   24.7 2

!   35 c  -83.187  130.087   11.097   12.906    1.447 0.883 25 15 Strong
assign (resid   34 and name C    ) (resid   35 and name N    )
       (resid   35 and name CA   ) (resid   35 and name C    )    1.0  -83.2   22.2 2
assign (resid   35 and name N    ) (resid   35 and name CA   )
       (resid   35 and name C    ) (resid   36 and name N    )    1.0  130.1   25.8 2


!    4 H Chi1 t  180+-30deg
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name CB   ) (resid    4 and name CG   )    1.0  180.0   30.0 2
!    7 Q Chi1 t  180+-30deg
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name CB   ) (resid    7 and name CG   )    1.0  180.0   30.0 2
!    8 c Chi1 g+   60+-30deg
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name CB   ) (resid    8 and name SG   )    1.0   60.0   30.0 2
!   11 I Chi1 g- -60+-30deg
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name CB   ) (resid   11 and name CG1  )    1.0  -60.0   30.0 2
!   11 I Chi2 t  180+-30deg
assign (resid   11 and name CA   ) (resid   11 and name CB   )
       (resid   11 and name CG1  ) (resid   11 and name CD1  )    1.0  180.0   30.0 2
!   13 Y Chi1 t  180+-30deg
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name CB   ) (resid   13 and name CG   )    1.0  180.0   30.0 2
!   17 T Chi1 g+  60+-30deg
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name CB   ) (resid   17 and name OG1  )    1.0   60.0   30.0 2
!   18 V Chi1 t  180+-30deg
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name CB   ) (resid   18 and name CG1  )    1.0  180.0   30.0 2
!   19 c Chi1 g- -60+-30deg
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name CB   ) (resid   19 and name SG   )    1.0  -60.0   30.0 2
!   23 T Chi1 g+  60+-30deg
assign (resid   23 and name N    ) (resid   23 and name CA   )
       (resid   23 and name CB   ) (resid   23 and name OG1  )    1.0   60.0   30.0 2
!   24 T Chi1 g+  60+-30deg
assign (resid   24 and name N    ) (resid   24 and name CA   )
       (resid   24 and name CB   ) (resid   24 and name OG1  )    1.0   60.0   30.0 2
!   25 c Chi1 t  180+-30deg
assign (resid   25 and name N    ) (resid   25 and name CA   )
       (resid   25 and name CB   ) (resid   25 and name SG   )    1.0  180.0   30.0 2
!   26 Q Chi1 g- -60+-30deg
assign (resid   26 and name N    ) (resid   26 and name CA   )
       (resid   26 and name CB   ) (resid   26 and name CG   )    1.0  -60.0   30.0 2
!   27 V Chi1 t  180+-30deg
assign (resid   27 and name N    ) (resid   27 and name CA   )
       (resid   27 and name CB   ) (resid   27 and name CG1  )    1.0  180.0   30.0 2
!   31 Y Chi1 g- -60+-30deg
assign (resid   31 and name N    ) (resid   31 and name CA   )
       (resid   31 and name CB   ) (resid   31 and name CG   )    1.0  -60.0   30.0 2
!   32 Y Chi1 t  180+-30deg
assign (resid   32 and name N    ) (resid   32 and name CA   )
       (resid   32 and name CB   ) (resid   32 and name CG   )    1.0  180.0   30.0 2
!   33 S Chi1 g- -60+-30deg
assign (resid   33 and name N    ) (resid   33 and name CA   )
       (resid   33 and name CB   ) (resid   33 and name OG   )    1.0  -60.0   30.0 2
!   35 c Chi1 g- -60+-30deg
assign (resid   35 and name N    ) (resid   35 and name CA   )
       (resid   35 and name CB   ) (resid   35 and name SG   )    1.0  -60.0   30.0 2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   THR   1           H1       THR   1  -6.699  -7.359   5.634
    2    H2   THR   1           H2       THR   1  -5.156  -7.292   6.219
    3    H3   THR   1           H3       THR   1  -5.690  -8.708   5.441
    4    HA   THR   1           HA       THR   1  -4.321  -7.424   3.936
    5    HB   THR   1           HB       THR   1  -6.141  -6.789   2.232
    6    HG1  THR   1           HG1      THR   1  -8.191  -8.030   3.230
    7   HG21  THR   1          HG21      THR   1  -5.062  -9.010   2.258
    8   HG22  THR   1          HG22      THR   1  -6.767  -9.124   1.820
    9   HG23  THR   1          HG23      THR   1  -6.247  -9.557   3.447
   10    H    GLN   2           H        GLN   2  -3.911  -5.351   2.923
   11    HA   GLN   2           HA       GLN   2  -4.427  -3.251   4.797
   12    HB2  GLN   2           HB2      GLN   2  -2.336  -3.875   3.081
   13    HB3  GLN   2           HB3      GLN   2  -3.042  -2.444   2.356
   14    HG2  GLN   2           HG2      GLN   2  -2.185  -2.661   5.240
   15    HG3  GLN   2           HG3      GLN   2  -1.199  -1.952   3.979
   16   HE21  GLN   2          HE21      GLN   2  -3.456  -0.678   2.676
   17   HE22  GLN   2          HE22      GLN   2  -3.946   0.616   3.690
   18    H    SER   3           H        SER   3  -5.650  -1.491   4.550
   19    HA   SER   3           HA       SER   3  -7.906  -1.749   2.885
   20    HB2  SER   3           HB2      SER   3  -8.437   0.417   4.183
   21    HB3  SER   3           HB3      SER   3  -8.347  -1.114   5.055
   22    HG   SER   3           HG       SER   3  -6.694   1.094   5.173
   23    H    HIS   4           H        HIS   4  -8.832   0.079   1.785
   24    HA   HIS   4           HA       HIS   4  -7.257   1.055  -0.344
   25    HB2  HIS   4           HB2      HIS   4  -9.773   0.555  -0.255
   26    HB3  HIS   4           HB3      HIS   4  -9.949   2.106   0.545
   27    HD1  HIS   4           HD1      HIS   4 -11.464   2.826  -1.476
   28    HD2  HIS   4           HD2      HIS   4  -7.534   1.992  -2.478
   29    HE1  HIS   4           HE1      HIS   4 -11.186   3.633  -3.832
   30    HE2  HIS   4           HE2      HIS   4  -8.956   2.698  -4.487
   31    H    TYR   5           H        TYR   5  -6.076   2.867  -0.509
   32    HA   TYR   5           HA       TYR   5  -5.139   4.824  -0.192
   33    HB2  TYR   5           HB2      TYR   5  -7.655   5.462   1.328
   34    HB3  TYR   5           HB3      TYR   5  -6.319   6.611   1.280
   35    HD1  TYR   5           HD1      TYR   5  -8.989   5.028  -0.659
   36    HD2  TYR   5           HD2      TYR   5  -5.671   7.677  -0.811
   37    HE1  TYR   5           HE1      TYR   5  -9.729   5.824  -2.866
   38    HE2  TYR   5           HE2      TYR   5  -6.405   8.484  -3.009
   39    HH   TYR   5           HH       TYR   5  -7.735   7.719  -4.877
   40    H    GLY   6           H        GLY   6  -4.812   2.537   1.690
   41    HA2  GLY   6           HA2      GLY   6  -3.303   4.064   3.699
   42    HA3  GLY   6           HA3      GLY   6  -3.837   2.397   3.914
   43    H    GLN   7           H        GLN   7  -1.187   2.980   4.293
   44    HA   GLN   7           HA       GLN   7   0.248   2.555   1.839
   45    HB2  GLN   7           HB2      GLN   7   1.248   3.985   3.583
   46    HB3  GLN   7           HB3      GLN   7   1.281   2.618   4.688
   47    HG2  GLN   7           HG2      GLN   7   2.893   1.475   3.339
   48    HG3  GLN   7           HG3      GLN   7   2.787   2.674   2.063
   49   HE21  GLN   7          HE21      GLN   7   5.132   1.826   3.457
   50   HE22  GLN   7          HE22      GLN   7   5.786   3.193   4.261
   51    H    CYS   8           H        CYS   8   0.523   0.713   0.956
   52    HA   CYS   8           HA       CYS   8  -0.186  -1.716   2.320
   53    HB2  CYS   8           HB2      CYS   8   0.289  -2.747   0.070
   54    HB3  CYS   8           HB3      CYS   8  -1.004  -1.554   0.134
   55    H    GLY   9           H        GLY   9   2.768  -0.560   0.687
   56    HA2  GLY   9           HA2      GLY   9   4.474  -1.777   2.537
   57    HA3  GLY   9           HA3      GLY   9   4.188  -2.890   1.206
   58    H    GLY  10           H        GLY  10   5.672  -0.010   2.205
   59    HA2  GLY  10           HA2      GLY  10   7.018   0.155  -0.396
   60    HA3  GLY  10           HA3      GLY  10   6.861   1.507   0.735
   61    H    ILE  11           H        ILE  11   9.332   1.249   0.176
   62    HA   ILE  11           HA       ILE  11  10.825  -0.747   1.451
   63    HB   ILE  11           HB       ILE  11  11.589   2.134   0.854
   64   HG12  ILE  11          HG12      ILE  11  12.089  -0.396  -0.737
   65   HG13  ILE  11          HG13      ILE  11  10.910   0.848  -1.142
   66   HG21  ILE  11          HG21      ILE  11  13.365  -0.227   1.463
   67   HG22  ILE  11          HG22      ILE  11  13.082   1.160   2.517
   68   HG23  ILE  11          HG23      ILE  11  13.910   1.377   0.973
   69   HD11  ILE  11          HD11      ILE  11  13.899   1.214  -1.034
   70   HD12  ILE  11          HD12      ILE  11  12.722   2.457  -1.463
   71   HD13  ILE  11          HD13      ILE  11  12.927   1.043  -2.495
   72    H    GLY  12           H        GLY  12  10.827  -1.191   3.572
   73    HA2  GLY  12           HA2      GLY  12  11.535  -0.566   5.745
   74    HA3  GLY  12           HA3      GLY  12  10.965   1.065   5.427
   75    H    TYR  13           H        TYR  13   8.518  -0.486   4.173
   76    HA   TYR  13           HA       TYR  13   7.040  -0.394   6.687
   77    HB2  TYR  13           HB2      TYR  13   6.099   0.749   4.679
   78    HB3  TYR  13           HB3      TYR  13   5.999  -0.811   3.875
   79    HD1  TYR  13           HD1      TYR  13   4.305  -2.482   4.620
   80    HD2  TYR  13           HD2      TYR  13   4.481   1.400   6.344
   81    HE1  TYR  13           HE1      TYR  13   2.056  -2.806   5.547
   82    HE2  TYR  13           HE2      TYR  13   2.227   1.088   7.282
   83    HH   TYR  13           HH       TYR  13   0.215  -0.294   6.664
   84    H    SER  14           H        SER  14   6.923  -2.169   7.806
   85    HA   SER  14           HA       SER  14   7.003  -4.772   6.453
   86    HB2  SER  14           HB2      SER  14   7.659  -3.954   9.295
   87    HB3  SER  14           HB3      SER  14   7.782  -5.592   8.664
   88    H    GLY  15           H        GLY  15   5.077  -5.791   6.386
   89    HA2  GLY  15           HA2      GLY  15   3.429  -6.347   8.440
   90    HA3  GLY  15           HA3      GLY  15   2.867  -4.776   7.870
   91    HA   PRO  16           HA       PRO  16   0.800  -7.898   5.235
   92    HB2  PRO  16           HB2      PRO  16  -1.581  -6.237   5.505
   93    HB3  PRO  16           HB3      PRO  16  -1.354  -7.913   6.009
   94    HG2  PRO  16           HG2      PRO  16  -1.631  -5.859   7.772
   95    HG3  PRO  16           HG3      PRO  16  -0.710  -7.328   8.131
   96    HD2  PRO  16           HD2      PRO  16   0.279  -4.629   7.283
   97    HD3  PRO  16           HD3      PRO  16   0.942  -5.742   8.502
   98    H    THR  17           H        THR  17   1.724  -7.355   3.328
   99    HA   THR  17           HA       THR  17   1.417  -4.716   2.242
  100    HB   THR  17           HB       THR  17   2.974  -5.708   0.459
  101    HG1  THR  17           HG1      THR  17   3.064  -7.843   0.614
  102   HG21  THR  17          HG21      THR  17   3.723  -4.329   2.406
  103   HG22  THR  17          HG22      THR  17   4.918  -5.528   1.914
  104   HG23  THR  17          HG23      THR  17   3.913  -5.811   3.333
  105    H    VAL  18           H        VAL  18  -0.219  -7.595   2.087
  106    HA   VAL  18           HA       VAL  18  -1.189  -7.346  -0.628
  107    HB   VAL  18           HB       VAL  18  -2.186  -9.120   1.632
  108   HG11  VAL  18          HG11      VAL  18  -2.743  -9.278  -1.333
  109   HG12  VAL  18          HG12      VAL  18  -3.891  -8.789  -0.088
  110   HG13  VAL  18          HG13      VAL  18  -3.279 -10.441  -0.120
  111   HG21  VAL  18          HG21      VAL  18  -0.327  -9.758  -0.657
  112   HG22  VAL  18          HG22      VAL  18  -0.942 -10.921   0.518
  113   HG23  VAL  18          HG23      VAL  18   0.126  -9.619   1.040
  114    H    CYS  19           H        CYS  19  -2.832  -6.088  -1.221
  115    HA   CYS  19           HA       CYS  19  -4.272  -4.602   0.785
  116    HB2  CYS  19           HB2      CYS  19  -4.333  -4.363  -2.260
  117    HB3  CYS  19           HB3      CYS  19  -5.080  -3.266  -1.098
  118    H    ALA  20           H        ALA  20  -6.640  -4.263   0.394
  119    HA   ALA  20           HA       ALA  20  -7.995  -6.749   0.468
  120    HB1  ALA  20           HB1      ALA  20  -9.116  -3.956   0.209
  121    HB2  ALA  20           HB2      ALA  20  -8.774  -4.794   1.722
  122    HB3  ALA  20           HB3      ALA  20 -10.035  -5.398   0.646
  123    H    SER  21           H        SER  21  -9.675  -7.461  -0.967
  124    HA   SER  21           HA       SER  21  -8.953  -7.734  -3.581
  125    HB2  SER  21           HB2      SER  21 -11.722  -7.944  -2.399
  126    HB3  SER  21           HB3      SER  21 -11.211  -8.631  -3.941
  127    HG   SER  21           HG       SER  21 -11.056 -10.216  -2.474
  128    H    GLY  22           H        GLY  22  -8.882  -6.424  -5.211
  129    HA2  GLY  22           HA2      GLY  22  -9.995  -5.095  -6.818
  130    HA3  GLY  22           HA3      GLY  22 -11.020  -4.462  -5.539
  131    H    THR  23           H        THR  23  -8.252  -4.302  -4.017
  132    HA   THR  23           HA       THR  23  -7.615  -1.706  -5.206
  133    HB   THR  23           HB       THR  23  -6.763  -0.992  -2.972
  134    HG1  THR  23           HG1      THR  23  -7.366  -3.638  -2.332
  135   HG21  THR  23          HG21      THR  23  -9.622  -1.941  -3.007
  136   HG22  THR  23          HG22      THR  23  -9.016  -0.414  -3.650
  137   HG23  THR  23          HG23      THR  23  -8.958  -0.725  -1.917
  138    H    THR  24           H        THR  24  -5.546  -1.177  -5.622
  139    HA   THR  24           HA       THR  24  -3.760  -3.494  -5.625
  140    HB   THR  24           HB       THR  24  -2.654  -2.328  -7.584
  141    HG1  THR  24           HG1      THR  24  -4.829  -0.561  -7.116
  142   HG21  THR  24          HG21      THR  24  -5.565  -3.064  -7.873
  143   HG22  THR  24          HG22      THR  24  -4.208  -4.190  -7.887
  144   HG23  THR  24          HG23      THR  24  -4.386  -3.004  -9.183
  145    H    CYS  25           H        CYS  25  -1.771  -3.352  -4.811
  146    HA   CYS  25           HA       CYS  25  -1.050  -1.065  -3.255
  147    HB2  CYS  25           HB2      CYS  25  -0.463  -3.343  -2.505
  148    HB3  CYS  25           HB3      CYS  25   0.517  -3.575  -3.947
  149    H    GLN  26           H        GLN  26  -0.683   0.670  -4.525
  150    HA   GLN  26           HA       GLN  26   1.170   0.362  -6.763
  151    HB2  GLN  26           HB2      GLN  26  -0.679   2.643  -6.080
  152    HB3  GLN  26           HB3      GLN  26   0.384   2.581  -7.476
  153    HG2  GLN  26           HG2      GLN  26  -0.842   0.581  -8.261
  154    HG3  GLN  26           HG3      GLN  26  -1.951   0.779  -6.904
  155   HE21  GLN  26          HE21      GLN  26  -3.676   1.086  -8.252
  156   HE22  GLN  26          HE22      GLN  26  -3.906   2.544  -9.164
  157    H    VAL  27           H        VAL  27   3.129   1.059  -6.585
  158    HA   VAL  27           HA       VAL  27   4.001   2.366  -4.181
  159    HB   VAL  27           HB       VAL  27   5.585   1.771  -6.698
  160   HG11  VAL  27          HG11      VAL  27   7.532   1.801  -5.214
  161   HG12  VAL  27          HG12      VAL  27   6.487   2.247  -3.866
  162   HG13  VAL  27          HG13      VAL  27   6.685   3.349  -5.229
  163   HG21  VAL  27          HG21      VAL  27   5.216   0.029  -4.261
  164   HG22  VAL  27          HG22      VAL  27   6.338  -0.290  -5.584
  165   HG23  VAL  27          HG23      VAL  27   4.600  -0.294  -5.881
  166    H    LEU  28           H        LEU  28   3.487   4.454  -4.030
  167    HA   LEU  28           HA       LEU  28   3.248   6.113  -6.408
  168    HB2  LEU  28           HB2      LEU  28   2.849   6.876  -3.515
  169    HB3  LEU  28           HB3      LEU  28   2.362   7.798  -4.920
  170    HG   LEU  28           HG       LEU  28   1.167   5.194  -3.976
  171   HD11  LEU  28          HD11      LEU  28  -0.836   6.552  -3.619
  172   HD12  LEU  28          HD12      LEU  28   0.068   7.992  -4.082
  173   HD13  LEU  28          HD13      LEU  28   0.520   7.095  -2.633
  174   HD21  LEU  28          HD21      LEU  28   0.441   6.893  -6.354
  175   HD22  LEU  28          HD22      LEU  28  -0.463   5.492  -5.770
  176   HD23  LEU  28          HD23      LEU  28   1.169   5.283  -6.411
  177    H    ASN  29           H        ASN  29   5.107   5.895  -3.456
  178    HA   ASN  29           HA       ASN  29   7.119   7.719  -4.562
  179    HB2  ASN  29           HB2      ASN  29   6.245   7.514  -1.650
  180    HB3  ASN  29           HB3      ASN  29   7.490   8.568  -2.285
  181   HD21  ASN  29          HD21      ASN  29   5.097   9.264  -0.747
  182   HD22  ASN  29          HD22      ASN  29   4.219  10.340  -1.746
  183    HA   PRO  30           HA       PRO  30  10.106   4.525  -3.661
  184    HB2  PRO  30           HB2      PRO  30  11.330   6.253  -1.559
  185    HB3  PRO  30           HB3      PRO  30  12.108   5.398  -2.895
  186    HG2  PRO  30           HG2      PRO  30  11.733   8.003  -3.054
  187    HG3  PRO  30           HG3      PRO  30  11.434   6.973  -4.467
  188    HD2  PRO  30           HD2      PRO  30   9.485   8.248  -2.606
  189    HD3  PRO  30           HD3      PRO  30   9.366   8.019  -4.362
  190    H    TYR  31           H        TYR  31   8.885   6.097  -0.694
  191    HA   TYR  31           HA       TYR  31   9.068   3.451   0.577
  192    HB2  TYR  31           HB2      TYR  31   8.778   6.147   1.923
  193    HB3  TYR  31           HB3      TYR  31   9.037   4.602   2.718
  194    HD1  TYR  31           HD1      TYR  31  10.602   7.271   0.757
  195    HD2  TYR  31           HD2      TYR  31  11.236   3.553   2.706
  196    HE1  TYR  31           HE1      TYR  31  13.016   7.602   0.584
  197    HE2  TYR  31           HE2      TYR  31  13.661   3.877   2.548
  198    HH   TYR  31           HH       TYR  31  15.037   6.850   1.733
  199    H    TYR  32           H        TYR  32   6.891   5.957  -0.420
  200    HA   TYR  32           HA       TYR  32   4.744   4.775   1.131
  201    HB2  TYR  32           HB2      TYR  32   5.030   7.280   0.938
  202    HB3  TYR  32           HB3      TYR  32   4.503   7.123  -0.734
  203    HD1  TYR  32           HD1      TYR  32   3.470   6.502   2.751
  204    HD2  TYR  32           HD2      TYR  32   2.178   7.052  -1.266
  205    HE1  TYR  32           HE1      TYR  32   1.154   6.650   3.527
  206    HE2  TYR  32           HE2      TYR  32  -0.156   7.202  -0.486
  207    HH   TYR  32           HH       TYR  32  -0.876   7.561   2.837
  208    H    SER  33           H        SER  33   3.730   3.131   0.344
  209    HA   SER  33           HA       SER  33   2.955   3.155  -2.477
  210    HB2  SER  33           HB2      SER  33   3.493   0.729  -0.731
  211    HB3  SER  33           HB3      SER  33   3.102   0.718  -2.454
  212    HG   SER  33           HG       SER  33   5.216   2.328  -1.926
  213    H    GLN  34           H        GLN  34   0.738   2.770  -2.774
  214    HA   GLN  34           HA       GLN  34  -0.827   2.637  -0.284
  215    HB2  GLN  34           HB2      GLN  34  -0.578   4.956  -0.935
  216    HB3  GLN  34           HB3      GLN  34  -1.103   4.585  -2.563
  217    HG2  GLN  34           HG2      GLN  34  -3.329   4.095  -1.760
  218    HG3  GLN  34           HG3      GLN  34  -2.807   4.358  -0.096
  219   HE21  GLN  34          HE21      GLN  34  -2.408   6.456   0.607
  220   HE22  GLN  34          HE22      GLN  34  -2.954   7.822  -0.281
  221    H    CYS  35           H        CYS  35  -2.752   1.492  -0.411
  222    HA   CYS  35           HA       CYS  35  -3.184  -0.114  -2.733
  223    HB2  CYS  35           HB2      CYS  35  -4.957   0.151  -0.291
  224    HB3  CYS  35           HB3      CYS  35  -4.961  -1.100  -1.505
  225    H    LEU  36           H        LEU  36  -4.037   0.819  -4.414
  226    HA   LEU  36           HA       LEU  36  -6.296   2.649  -4.092
  227    HB2  LEU  36           HB2      LEU  36  -4.275   2.391  -6.318
  228    HB3  LEU  36           HB3      LEU  36  -5.705   3.401  -6.408
  229    HG   LEU  36           HG       LEU  36  -3.463   3.744  -4.420
  230   HD11  LEU  36          HD11      LEU  36  -2.778   4.324  -6.688
  231   HD12  LEU  36          HD12      LEU  36  -2.940   5.765  -5.685
  232   HD13  LEU  36          HD13      LEU  36  -4.194   5.360  -6.857
  233   HD21  LEU  36          HD21      LEU  36  -5.589   4.459  -3.503
  234   HD22  LEU  36          HD22      LEU  36  -5.935   5.377  -4.965
  235   HD23  LEU  36          HD23      LEU  36  -4.609   5.865  -3.914
  236    H1   MAN 101           H1       MAN 101   9.811  -6.214   7.855
  237    H2   MAN 101           H2       MAN 101  11.794  -4.678   7.871
  238    H3   MAN 101           H3       MAN 101  10.943  -2.949   6.331
  239    H4   MAN 101           H4       MAN 101  11.151  -5.116   4.173
  240    H5   MAN 101           H5       MAN 101   8.674  -3.737   5.338
  241    H61  MAN 101           H61      MAN 101   7.437  -5.384   4.101
  242    H62  MAN 101           H62      MAN 101   8.908  -6.152   3.456
  243    HO2  MAN 101           HO2      MAN 101  11.413  -6.441   5.644
  244    HO3  MAN 101           HO3      MAN 101  13.129  -4.493   5.328
  245    HO4  MAN 101           HO4      MAN 101  10.148  -3.432   2.985
  246    HO6  MAN 101           HO6      MAN 101   7.747  -3.596   2.946
  Start of MODEL    2
    1    H1   THR   1           H1       THR   1  -6.370  -9.064   5.111
    2    H2   THR   1           H2       THR   1  -7.259  -7.625   5.177
    3    H3   THR   1           H3       THR   1  -5.885  -7.798   6.149
    4    HA   THR   1           HA       THR   1  -4.531  -7.808   4.207
    5    HB   THR   1           HB       THR   1  -5.777  -7.003   2.076
    6    HG1  THR   1           HG1      THR   1  -7.984  -8.011   2.103
    7   HG21  THR   1          HG21      THR   1  -4.725  -9.214   2.268
    8   HG22  THR   1          HG22      THR   1  -6.244  -9.316   1.381
    9   HG23  THR   1          HG23      THR   1  -6.171  -9.833   3.064
   10    H    GLN   2           H        GLN   2  -4.071  -5.665   2.981
   11    HA   GLN   2           HA       GLN   2  -4.379  -3.710   5.047
   12    HB2  GLN   2           HB2      GLN   2  -2.245  -4.383   3.656
   13    HB3  GLN   2           HB3      GLN   2  -2.849  -3.205   2.508
   14    HG2  GLN   2           HG2      GLN   2  -2.356  -2.574   5.415
   15    HG3  GLN   2           HG3      GLN   2  -1.117  -2.380   4.187
   16   HE21  GLN   2          HE21      GLN   2  -2.931  -1.406   2.167
   17   HE22  GLN   2          HE22      GLN   2  -3.420   0.155   2.660
   18    H    SER   3           H        SER   3  -5.425  -1.849   4.965
   19    HA   SER   3           HA       SER   3  -7.841  -1.659   3.634
   20    HB2  SER   3           HB2      SER   3  -6.344   0.514   5.071
   21    HB3  SER   3           HB3      SER   3  -8.091   0.363   4.874
   22    HG   SER   3           HG       SER   3  -8.158  -1.219   6.289
   23    H    HIS   4           H        HIS   4  -8.686  -0.023   2.300
   24    HA   HIS   4           HA       HIS   4  -7.180   0.712   0.005
   25    HB2  HIS   4           HB2      HIS   4  -9.710   0.271   0.172
   26    HB3  HIS   4           HB3      HIS   4  -9.835   1.852   0.917
   27    HD1  HIS   4           HD1      HIS   4 -11.466   2.175  -1.237
   28    HD2  HIS   4           HD2      HIS   4  -7.411   1.949  -2.014
   29    HE1  HIS   4           HE1      HIS   4 -11.181   2.956  -3.616
   30    HE2  HIS   4           HE2      HIS   4  -8.808   2.225  -4.089
   31    H    TYR   5           H        TYR   5  -6.091   2.595  -0.378
   32    HA   TYR   5           HA       TYR   5  -5.137   4.536  -0.130
   33    HB2  TYR   5           HB2      TYR   5  -7.468   5.163   1.669
   34    HB3  TYR   5           HB3      TYR   5  -6.148   6.305   1.458
   35    HD1  TYR   5           HD1      TYR   5  -9.114   4.840  -0.049
   36    HD2  TYR   5           HD2      TYR   5  -5.714   7.288  -0.754
   37    HE1  TYR   5           HE1      TYR   5 -10.162   5.709  -2.101
   38    HE2  TYR   5           HE2      TYR   5  -6.747   8.158  -2.796
   39    HH   TYR   5           HH       TYR   5 -10.013   7.690  -3.500
   40    H    GLY   6           H        GLY   6  -4.933   2.226   1.942
   41    HA2  GLY   6           HA2      GLY   6  -3.328   3.680   3.879
   42    HA3  GLY   6           HA3      GLY   6  -3.721   1.961   3.940
   43    H    GLN   7           H        GLN   7  -1.146   2.971   4.303
   44    HA   GLN   7           HA       GLN   7   0.412   2.646   1.929
   45    HB2  GLN   7           HB2      GLN   7   1.239   3.990   3.799
   46    HB3  GLN   7           HB3      GLN   7   1.208   2.586   4.846
   47    HG2  GLN   7           HG2      GLN   7   2.984   1.556   3.590
   48    HG3  GLN   7           HG3      GLN   7   3.023   2.872   2.431
   49   HE21  GLN   7          HE21      GLN   7   5.205   3.547   2.953
   50   HE22  GLN   7          HE22      GLN   7   5.541   4.224   4.487
   51    H    CYS   8           H        CYS   8   0.674   0.841   0.943
   52    HA   CYS   8           HA       CYS   8   0.024  -1.668   2.237
   53    HB2  CYS   8           HB2      CYS   8   0.240  -2.568  -0.084
   54    HB3  CYS   8           HB3      CYS   8  -1.020  -1.368   0.178
   55    H    GLY   9           H        GLY   9   2.946  -0.245   0.781
   56    HA2  GLY   9           HA2      GLY   9   4.616  -2.001   2.168
   57    HA3  GLY   9           HA3      GLY   9   4.217  -2.771   0.647
   58    H    GLY  10           H        GLY  10   5.474   0.164   2.037
   59    HA2  GLY  10           HA2      GLY  10   7.182   0.406  -0.335
   60    HA3  GLY  10           HA3      GLY  10   6.728   1.754   0.717
   61    H    ILE  11           H        ILE  11   9.337   1.416   0.322
   62    HA   ILE  11           HA       ILE  11  10.688  -0.289   2.084
   63    HB   ILE  11           HB       ILE  11  11.487   2.460   1.077
   64   HG12  ILE  11          HG12      ILE  11  12.186  -0.296   0.040
   65   HG13  ILE  11          HG13      ILE  11  11.046   0.815  -0.702
   66   HG21  ILE  11          HG21      ILE  11  12.799   1.861   3.039
   67   HG22  ILE  11          HG22      ILE  11  13.806   1.785   1.590
   68   HG23  ILE  11          HG23      ILE  11  13.191   0.301   2.319
   69   HD11  ILE  11          HD11      ILE  11  13.173   0.835  -1.864
   70   HD12  ILE  11          HD12      ILE  11  13.999   1.271  -0.369
   71   HD13  ILE  11          HD13      ILE  11  12.859   2.396  -1.107
   72    H    GLY  12           H        GLY  12  10.748  -0.299   4.231
   73    HA2  GLY  12           HA2      GLY  12  11.119   0.951   6.308
   74    HA3  GLY  12           HA3      GLY  12  10.085   2.204   5.633
   75    H    TYR  13           H        TYR  13   8.276   0.165   4.507
   76    HA   TYR  13           HA       TYR  13   6.775  -0.352   6.966
   77    HB2  TYR  13           HB2      TYR  13   5.609   1.041   5.292
   78    HB3  TYR  13           HB3      TYR  13   5.861  -0.197   4.074
   79    HD1  TYR  13           HD1      TYR  13   3.919   0.725   7.059
   80    HD2  TYR  13           HD2      TYR  13   4.468  -2.177   4.020
   81    HE1  TYR  13           HE1      TYR  13   1.756  -0.304   7.645
   82    HE2  TYR  13           HE2      TYR  13   2.324  -3.202   4.583
   83    HH   TYR  13           HH       TYR  13   0.651  -3.227   5.944
   84    H    SER  14           H        SER  14   5.951  -2.437   7.354
   85    HA   SER  14           HA       SER  14   6.194  -4.456   5.407
   86    HB2  SER  14           HB2      SER  14   7.597  -5.949   6.934
   87    HB3  SER  14           HB3      SER  14   8.432  -4.665   6.064
   88    H    GLY  15           H        GLY  15   5.205  -6.476   6.095
   89    HA2  GLY  15           HA2      GLY  15   3.924  -7.532   7.948
   90    HA3  GLY  15           HA3      GLY  15   3.210  -5.941   8.188
   91    HA   PRO  16           HA       PRO  16   0.202  -7.627   5.285
   92    HB2  PRO  16           HB2      PRO  16  -1.408  -5.267   5.752
   93    HB3  PRO  16           HB3      PRO  16  -1.740  -6.922   6.264
   94    HG2  PRO  16           HG2      PRO  16  -1.120  -4.855   7.970
   95    HG3  PRO  16           HG3      PRO  16  -0.889  -6.564   8.350
   96    HD2  PRO  16           HD2      PRO  16   1.089  -4.520   7.483
   97    HD3  PRO  16           HD3      PRO  16   1.286  -5.883   8.614
   98    H    THR  17           H        THR  17   1.303  -7.322   3.396
   99    HA   THR  17           HA       THR  17   1.548  -4.647   2.325
  100    HB   THR  17           HB       THR  17   2.910  -5.942   0.597
  101    HG1  THR  17           HG1      THR  17   3.382  -8.010   1.039
  102   HG21  THR  17          HG21      THR  17   3.798  -5.941   3.487
  103   HG22  THR  17          HG22      THR  17   3.898  -4.572   2.382
  104   HG23  THR  17          HG23      THR  17   4.864  -6.021   2.081
  105    H    VAL  18           H        VAL  18  -0.302  -7.449   2.035
  106    HA   VAL  18           HA       VAL  18  -1.116  -6.924  -0.685
  107    HB   VAL  18           HB       VAL  18  -2.100  -9.019   1.268
  108   HG11  VAL  18          HG11      VAL  18  -3.729  -8.566  -0.498
  109   HG12  VAL  18          HG12      VAL  18  -2.983 -10.151  -0.710
  110   HG13  VAL  18          HG13      VAL  18  -2.477  -8.795  -1.720
  111   HG21  VAL  18          HG21      VAL  18  -0.688 -10.548  -0.020
  112   HG22  VAL  18          HG22      VAL  18   0.248  -9.280   0.779
  113   HG23  VAL  18          HG23      VAL  18  -0.076  -9.180  -0.949
  114    H    CYS  19           H        CYS  19  -2.750  -5.740  -1.205
  115    HA   CYS  19           HA       CYS  19  -4.306  -4.377   0.768
  116    HB2  CYS  19           HB2      CYS  19  -4.480  -4.308  -2.252
  117    HB3  CYS  19           HB3      CYS  19  -5.142  -3.128  -1.123
  118    H    ALA  20           H        ALA  20  -6.684  -4.206   0.461
  119    HA   ALA  20           HA       ALA  20  -7.952  -6.728   0.494
  120    HB1  ALA  20           HB1      ALA  20  -8.808  -4.777   1.729
  121    HB2  ALA  20           HB2      ALA  20 -10.039  -5.443   0.656
  122    HB3  ALA  20           HB3      ALA  20  -9.173  -3.974   0.202
  123    H    SER  21           H        SER  21  -9.382  -7.655  -1.061
  124    HA   SER  21           HA       SER  21  -8.602  -7.579  -3.685
  125    HB2  SER  21           HB2      SER  21 -11.323  -8.353  -2.621
  126    HB3  SER  21           HB3      SER  21 -10.607  -8.882  -4.142
  127    HG   SER  21           HG       SER  21  -8.935  -9.838  -2.942
  128    H    GLY  22           H        GLY  22  -8.887  -6.174  -5.246
  129    HA2  GLY  22           HA2      GLY  22 -10.373  -4.870  -6.617
  130    HA3  GLY  22           HA3      GLY  22 -11.195  -4.355  -5.147
  131    H    THR  23           H        THR  23  -8.288  -4.259  -4.025
  132    HA   THR  23           HA       THR  23  -7.690  -1.651  -5.183
  133    HB   THR  23           HB       THR  23  -6.821  -0.912  -2.983
  134    HG1  THR  23           HG1      THR  23  -7.428  -3.580  -2.287
  135   HG21  THR  23          HG21      THR  23  -8.952  -0.789  -1.782
  136   HG22  THR  23          HG22      THR  23  -9.605  -2.041  -2.840
  137   HG23  THR  23          HG23      THR  23  -9.151  -0.474  -3.506
  138    H    THR  24           H        THR  24  -5.567  -1.170  -5.579
  139    HA   THR  24           HA       THR  24  -3.833  -3.533  -5.606
  140    HB   THR  24           HB       THR  24  -2.824  -2.446  -7.647
  141    HG1  THR  24           HG1      THR  24  -4.975  -0.641  -7.159
  142   HG21  THR  24          HG21      THR  24  -4.627  -3.197  -9.154
  143   HG22  THR  24          HG22      THR  24  -5.752  -3.195  -7.796
  144   HG23  THR  24          HG23      THR  24  -4.406  -4.328  -7.818
  145    H    CYS  25           H        CYS  25  -1.675  -3.276  -4.986
  146    HA   CYS  25           HA       CYS  25  -1.115  -0.928  -3.421
  147    HB2  CYS  25           HB2      CYS  25  -0.409  -3.159  -2.601
  148    HB3  CYS  25           HB3      CYS  25   0.604  -3.352  -4.028
  149    H    GLN  26           H        GLN  26  -0.697   0.819  -4.605
  150    HA   GLN  26           HA       GLN  26   1.124   0.451  -6.826
  151    HB2  GLN  26           HB2      GLN  26  -0.895   2.644  -6.340
  152    HB3  GLN  26           HB3      GLN  26   0.246   2.626  -7.682
  153    HG2  GLN  26           HG2      GLN  26  -0.706   0.491  -8.454
  154    HG3  GLN  26           HG3      GLN  26  -1.872   0.549  -7.140
  155   HE21  GLN  26          HE21      GLN  26  -3.587   0.496  -8.553
  156   HE22  GLN  26          HE22      GLN  26  -4.037   1.805  -9.566
  157    H    VAL  27           H        VAL  27   3.051   1.028  -6.648
  158    HA   VAL  27           HA       VAL  27   4.068   2.401  -4.361
  159    HB   VAL  27           HB       VAL  27   5.468   1.473  -6.897
  160   HG11  VAL  27          HG11      VAL  27   6.647   2.283  -4.242
  161   HG12  VAL  27          HG12      VAL  27   6.766   3.190  -5.750
  162   HG13  VAL  27          HG13      VAL  27   7.544   1.614  -5.603
  163   HG21  VAL  27          HG21      VAL  27   5.272   0.151  -4.200
  164   HG22  VAL  27          HG22      VAL  27   6.204  -0.443  -5.575
  165   HG23  VAL  27          HG23      VAL  27   4.442  -0.363  -5.666
  166    H    LEU  28           H        LEU  28   3.766   4.501  -4.246
  167    HA   LEU  28           HA       LEU  28   3.765   6.114  -6.668
  168    HB2  LEU  28           HB2      LEU  28   3.209   6.931  -3.810
  169    HB3  LEU  28           HB3      LEU  28   2.936   7.909  -5.234
  170    HG   LEU  28           HG       LEU  28   1.428   5.420  -4.452
  171   HD11  LEU  28          HD11      LEU  28   0.566   8.290  -4.668
  172   HD12  LEU  28          HD12      LEU  28   0.798   7.368  -3.181
  173   HD13  LEU  28          HD13      LEU  28  -0.485   6.920  -4.305
  174   HD21  LEU  28          HD21      LEU  28   1.682   5.450  -6.863
  175   HD22  LEU  28          HD22      LEU  28   1.165   7.131  -6.918
  176   HD23  LEU  28          HD23      LEU  28   0.023   5.874  -6.434
  177    H    ASN  29           H        ASN  29   5.426   5.797  -3.604
  178    HA   ASN  29           HA       ASN  29   7.778   7.145  -4.742
  179    HB2  ASN  29           HB2      ASN  29   6.829   7.272  -1.848
  180    HB3  ASN  29           HB3      ASN  29   8.339   7.924  -2.447
  181   HD21  ASN  29          HD21      ASN  29   6.344   9.251  -1.000
  182   HD22  ASN  29          HD22      ASN  29   5.734  10.542  -1.968
  183    HA   PRO  30           HA       PRO  30   9.857   3.383  -3.547
  184    HB2  PRO  30           HB2      PRO  30  11.633   4.907  -1.695
  185    HB3  PRO  30           HB3      PRO  30  12.065   3.782  -2.987
  186    HG2  PRO  30           HG2      PRO  30  12.373   6.376  -3.353
  187    HG3  PRO  30           HG3      PRO  30  11.727   5.366  -4.659
  188    HD2  PRO  30           HD2      PRO  30  10.290   7.202  -2.792
  189    HD3  PRO  30           HD3      PRO  30  10.025   6.956  -4.530
  190    H    TYR  31           H        TYR  31   9.122   5.604  -0.883
  191    HA   TYR  31           HA       TYR  31   8.919   3.317   0.960
  192    HB2  TYR  31           HB2      TYR  31   8.606   6.231   1.688
  193    HB3  TYR  31           HB3      TYR  31   9.072   4.889   2.718
  194    HD1  TYR  31           HD1      TYR  31  10.225   7.432   0.405
  195    HD2  TYR  31           HD2      TYR  31  11.364   3.940   2.537
  196    HE1  TYR  31           HE1      TYR  31  12.582   7.957  -0.014
  197    HE2  TYR  31           HE2      TYR  31  13.725   4.457   2.119
  198    HH   TYR  31           HH       TYR  31  15.026   5.715   0.451
  199    H    TYR  32           H        TYR  32   7.045   5.792  -0.674
  200    HA   TYR  32           HA       TYR  32   4.720   5.049   0.876
  201    HB2  TYR  32           HB2      TYR  32   5.233   7.485   0.429
  202    HB3  TYR  32           HB3      TYR  32   4.763   7.188  -1.244
  203    HD1  TYR  32           HD1      TYR  32   2.537   7.577  -1.823
  204    HD2  TYR  32           HD2      TYR  32   3.512   6.651   2.211
  205    HE1  TYR  32           HE1      TYR  32   0.186   7.924  -1.167
  206    HE2  TYR  32           HE2      TYR  32   1.179   6.998   2.869
  207    HH   TYR  32           HH       TYR  32  -1.333   7.335   0.573
  208    H    SER  33           H        SER  33   3.548   3.459   0.243
  209    HA   SER  33           HA       SER  33   2.872   3.243  -2.583
  210    HB2  SER  33           HB2      SER  33   3.444   0.921  -0.714
  211    HB3  SER  33           HB3      SER  33   3.020   0.809  -2.423
  212    HG   SER  33           HG       SER  33   5.102   2.424  -2.217
  213    H    GLN  34           H        GLN  34   0.673   3.055  -2.811
  214    HA   GLN  34           HA       GLN  34  -0.834   2.747  -0.317
  215    HB2  GLN  34           HB2      GLN  34  -0.733   5.101  -0.703
  216    HB3  GLN  34           HB3      GLN  34  -1.090   4.905  -2.406
  217    HG2  GLN  34           HG2      GLN  34  -3.361   4.316  -1.917
  218    HG3  GLN  34           HG3      GLN  34  -3.015   4.284  -0.187
  219   HE21  GLN  34          HE21      GLN  34  -3.032   6.172   0.956
  220   HE22  GLN  34          HE22      GLN  34  -3.437   7.693   0.275
  221    H    CYS  35           H        CYS  35  -2.685   1.573  -0.446
  222    HA   CYS  35           HA       CYS  35  -3.143   0.049  -2.800
  223    HB2  CYS  35           HB2      CYS  35  -4.877   0.282  -0.326
  224    HB3  CYS  35           HB3      CYS  35  -4.963  -0.931  -1.580
  225    H    LEU  36           H        LEU  36  -4.050   0.919  -4.463
  226    HA   LEU  36           HA       LEU  36  -6.226   2.837  -4.126
  227    HB2  LEU  36           HB2      LEU  36  -4.365   2.356  -6.465
  228    HB3  LEU  36           HB3      LEU  36  -5.700   3.489  -6.474
  229    HG   LEU  36           HG       LEU  36  -3.284   3.685  -4.666
  230   HD11  LEU  36          HD11      LEU  36  -2.711   4.092  -7.003
  231   HD12  LEU  36          HD12      LEU  36  -2.627   5.571  -6.045
  232   HD13  LEU  36          HD13      LEU  36  -4.005   5.288  -7.109
  233   HD21  LEU  36          HD21      LEU  36  -4.144   5.926  -4.163
  234   HD22  LEU  36          HD22      LEU  36  -5.270   4.672  -3.659
  235   HD23  LEU  36          HD23      LEU  36  -5.576   5.593  -5.135
  236    H1   MAN 101           H1       MAN 101   9.650  -5.807   8.232
  237    H2   MAN 101           H2       MAN 101   9.319  -4.667  10.464
  238    H3   MAN 101           H3       MAN 101   9.081  -2.362   9.728
  239    H4   MAN 101           H4       MAN 101  11.996  -2.673   8.857
  240    H5   MAN 101           H5       MAN 101   9.429  -2.268   7.279
  241    H61  MAN 101           H61      MAN 101  12.283  -2.637   6.267
  242    H62  MAN 101           H62      MAN 101  11.423  -1.088   6.285
  243    HO2  MAN 101           HO2      MAN 101  11.271  -5.749   9.981
  244    HO3  MAN 101           HO3      MAN 101  11.549  -2.886  11.054
  245    HO4  MAN 101           HO4      MAN 101  10.178  -0.465   8.675
  246    HO6  MAN 101           HO6      MAN 101   9.751  -2.747   5.074
  Start of MODEL    3
    1    H1   THR   1           H1       THR   1  -6.580  -9.426   4.561
    2    H2   THR   1           H2       THR   1  -7.388  -8.007   4.974
    3    H3   THR   1           H3       THR   1  -5.883  -8.333   5.671
    4    HA   THR   1           HA       THR   1  -4.895  -8.105   3.489
    5    HB   THR   1           HB       THR   1  -6.450  -7.007   1.785
    6    HG1  THR   1           HG1      THR   1  -8.727  -7.980   2.301
    7   HG21  THR   1          HG21      THR   1  -7.326  -9.171   0.978
    8   HG22  THR   1          HG22      THR   1  -6.961  -9.899   2.543
    9   HG23  THR   1          HG23      THR   1  -5.653  -9.316   1.515
   10    H    GLN   2           H        GLN   2  -4.402  -5.886   2.669
   11    HA   GLN   2           HA       GLN   2  -4.628  -3.998   4.827
   12    HB2  GLN   2           HB2      GLN   2  -2.671  -4.581   3.053
   13    HB3  GLN   2           HB3      GLN   2  -3.435  -3.250   2.207
   14    HG2  GLN   2           HG2      GLN   2  -2.247  -3.157   4.977
   15    HG3  GLN   2           HG3      GLN   2  -1.556  -2.468   3.517
   16   HE21  GLN   2          HE21      GLN   2  -2.633  -0.765   2.570
   17   HE22  GLN   2          HE22      GLN   2  -3.653   0.279   3.494
   18    H    SER   3           H        SER   3  -5.621  -1.935   4.643
   19    HA   SER   3           HA       SER   3  -8.089  -1.981   3.173
   20    HB2  SER   3           HB2      SER   3  -6.979   0.020   5.139
   21    HB3  SER   3           HB3      SER   3  -8.650  -0.068   4.580
   22    HG   SER   3           HG       SER   3  -8.741  -1.205   6.360
   23    H    HIS   4           H        HIS   4  -8.897   0.057   2.193
   24    HA   HIS   4           HA       HIS   4  -7.183   0.900   0.053
   25    HB2  HIS   4           HB2      HIS   4  -9.736   0.509  -0.015
   26    HB3  HIS   4           HB3      HIS   4  -9.884   2.040   0.823
   27    HD1  HIS   4           HD1      HIS   4 -11.220   2.970  -1.235
   28    HD2  HIS   4           HD2      HIS   4  -7.323   1.862  -2.072
   29    HE1  HIS   4           HE1      HIS   4 -10.772   3.799  -3.564
   30    HE2  HIS   4           HE2      HIS   4  -8.588   2.636  -4.112
   31    H    TYR   5           H        TYR   5  -6.074   2.824  -0.112
   32    HA   TYR   5           HA       TYR   5  -5.152   4.785   0.375
   33    HB2  TYR   5           HB2      TYR   5  -7.579   5.205   2.119
   34    HB3  TYR   5           HB3      TYR   5  -6.292   6.399   2.002
   35    HD1  TYR   5           HD1      TYR   5  -9.259   5.091   0.478
   36    HD2  TYR   5           HD2      TYR   5  -5.746   7.354  -0.271
   37    HE1  TYR   5           HE1      TYR   5 -10.282   6.000  -1.554
   38    HE2  TYR   5           HE2      TYR   5  -6.760   8.274  -2.311
   39    HH   TYR   5           HH       TYR   5  -8.516   7.724  -3.912
   40    H    GLY   6           H        GLY   6  -4.735   2.333   1.936
   41    HA2  GLY   6           HA2      GLY   6  -3.219   3.650   4.070
   42    HA3  GLY   6           HA3      GLY   6  -3.766   1.972   4.157
   43    H    GLN   7           H        GLN   7  -1.065   2.997   4.349
   44    HA   GLN   7           HA       GLN   7   0.327   2.469   1.938
   45    HB2  GLN   7           HB2      GLN   7   1.278   3.891   3.683
   46    HB3  GLN   7           HB3      GLN   7   1.277   2.547   4.811
   47    HG2  GLN   7           HG2      GLN   7   2.954   1.404   3.484
   48    HG3  GLN   7           HG3      GLN   7   2.917   2.698   2.287
   49   HE21  GLN   7          HE21      GLN   7   5.151   3.142   2.598
   50   HE22  GLN   7          HE22      GLN   7   5.694   3.929   4.013
   51    H    CYS   8           H        CYS   8   0.736   0.588   1.035
   52    HA   CYS   8           HA       CYS   8   0.073  -1.854   2.441
   53    HB2  CYS   8           HB2      CYS   8   0.503  -2.885   0.149
   54    HB3  CYS   8           HB3      CYS   8  -0.857  -1.774   0.283
   55    H    GLY   9           H        GLY   9   2.916  -0.448   0.858
   56    HA2  GLY   9           HA2      GLY   9   4.688  -1.478   2.687
   57    HA3  GLY   9           HA3      GLY   9   4.507  -2.724   1.464
   58    H    GLY  10           H        GLY  10   5.843   0.281   2.289
   59    HA2  GLY  10           HA2      GLY  10   7.186   0.375  -0.319
   60    HA3  GLY  10           HA3      GLY  10   6.998   1.762   0.767
   61    H    ILE  11           H        ILE  11   9.499   1.455   0.174
   62    HA   ILE  11           HA       ILE  11  10.983  -0.480   1.532
   63    HB   ILE  11           HB       ILE  11  11.794   2.375   0.881
   64   HG12  ILE  11          HG12      ILE  11  12.274  -0.200  -0.641
   65   HG13  ILE  11          HG13      ILE  11  11.096   1.029  -1.075
   66   HG21  ILE  11          HG21      ILE  11  14.114   1.586   1.045
   67   HG22  ILE  11          HG22      ILE  11  13.538  -0.004   1.536
   68   HG23  ILE  11          HG23      ILE  11  13.270   1.391   2.582
   69   HD11  ILE  11          HD11      ILE  11  13.092   1.182  -2.446
   70   HD12  ILE  11          HD12      ILE  11  14.082   1.394  -1.000
   71   HD13  ILE  11          HD13      ILE  11  12.903   2.628  -1.454
   72    H    GLY  12           H        GLY  12  11.044  -0.913   3.618
   73    HA2  GLY  12           HA2      GLY  12  11.821  -0.310   5.791
   74    HA3  GLY  12           HA3      GLY  12  11.196   1.310   5.525
   75    H    TYR  13           H        TYR  13   8.752  -0.189   4.317
   76    HA   TYR  13           HA       TYR  13   7.292  -0.007   6.787
   77    HB2  TYR  13           HB2      TYR  13   6.273   0.997   4.821
   78    HB3  TYR  13           HB3      TYR  13   6.327  -0.533   3.962
   79    HD1  TYR  13           HD1      TYR  13   4.570   1.425   6.512
   80    HD2  TYR  13           HD2      TYR  13   4.707  -2.312   4.491
   81    HE1  TYR  13           HE1      TYR  13   2.324   0.876   7.362
   82    HE2  TYR  13           HE2      TYR  13   2.480  -2.858   5.315
   83    HH   TYR  13           HH       TYR  13   0.417  -0.647   6.604
   84    H    SER  14           H        SER  14   6.415  -1.604   7.933
   85    HA   SER  14           HA       SER  14   6.625  -4.371   6.955
   86    HB2  SER  14           HB2      SER  14   6.886  -3.399   9.793
   87    HB3  SER  14           HB3      SER  14   7.101  -5.059   9.237
   88    H    GLY  15           H        GLY  15   4.550  -5.055   6.609
   89    HA2  GLY  15           HA2      GLY  15   2.607  -5.159   8.586
   90    HA3  GLY  15           HA3      GLY  15   2.296  -3.735   7.596
   91    HA   PRO  16           HA       PRO  16   0.378  -7.336   5.411
   92    HB2  PRO  16           HB2      PRO  16  -1.884  -5.546   4.974
   93    HB3  PRO  16           HB3      PRO  16  -1.860  -7.102   5.804
   94    HG2  PRO  16           HG2      PRO  16  -2.254  -4.745   7.100
   95    HG3  PRO  16           HG3      PRO  16  -1.484  -6.147   7.858
   96    HD2  PRO  16           HD2      PRO  16  -0.224  -3.693   6.695
   97    HD3  PRO  16           HD3      PRO  16   0.193  -4.575   8.178
   98    H    THR  17           H        THR  17   1.262  -7.400   3.442
   99    HA   THR  17           HA       THR  17   1.476  -4.943   1.952
  100    HB   THR  17           HB       THR  17   2.889  -6.446   0.410
  101    HG1  THR  17           HG1      THR  17   2.995  -8.077   2.729
  102   HG21  THR  17          HG21      THR  17   3.732  -5.947   3.275
  103   HG22  THR  17          HG22      THR  17   3.853  -4.796   1.950
  104   HG23  THR  17          HG23      THR  17   4.831  -6.265   1.933
  105    H    VAL  18           H        VAL  18  -0.385  -7.832   1.886
  106    HA   VAL  18           HA       VAL  18  -1.257  -7.360  -0.836
  107    HB   VAL  18           HB       VAL  18  -2.192  -9.439   1.180
  108   HG11  VAL  18          HG11      VAL  18  -3.322 -10.515  -0.736
  109   HG12  VAL  18          HG12      VAL  18  -2.870  -9.148  -1.754
  110   HG13  VAL  18          HG13      VAL  18  -3.977  -8.911  -0.405
  111   HG21  VAL  18          HG21      VAL  18  -0.957 -11.028  -0.215
  112   HG22  VAL  18          HG22      VAL  18   0.111  -9.763   0.399
  113   HG23  VAL  18          HG23      VAL  18  -0.449  -9.711  -1.269
  114    H    CYS  19           H        CYS  19  -2.820  -6.058  -1.327
  115    HA   CYS  19           HA       CYS  19  -4.363  -4.779   0.733
  116    HB2  CYS  19           HB2      CYS  19  -4.359  -4.376  -2.264
  117    HB3  CYS  19           HB3      CYS  19  -5.072  -3.306  -1.061
  118    H    ALA  20           H        ALA  20  -6.707  -4.502   0.417
  119    HA   ALA  20           HA       ALA  20  -8.108  -6.907   0.188
  120    HB1  ALA  20           HB1      ALA  20  -8.943  -4.985   1.455
  121    HB2  ALA  20           HB2      ALA  20 -10.121  -5.486   0.240
  122    HB3  ALA  20           HB3      ALA  20  -9.114  -4.067  -0.042
  123    H    SER  21           H        SER  21  -9.266  -7.815  -1.491
  124    HA   SER  21           HA       SER  21  -8.418  -7.485  -4.096
  125    HB2  SER  21           HB2      SER  21 -11.113  -8.517  -3.183
  126    HB3  SER  21           HB3      SER  21 -10.266  -8.933  -4.672
  127    HG   SER  21           HG       SER  21  -8.571  -9.761  -3.343
  128    H    GLY  22           H        GLY  22  -8.773  -5.913  -5.524
  129    HA2  GLY  22           HA2      GLY  22 -10.325  -4.517  -6.736
  130    HA3  GLY  22           HA3      GLY  22 -11.173  -4.243  -5.217
  131    H    THR  23           H        THR  23  -8.210  -4.140  -4.119
  132    HA   THR  23           HA       THR  23  -7.705  -1.422  -5.053
  133    HB   THR  23           HB       THR  23  -6.811  -0.851  -2.808
  134    HG1  THR  23           HG1      THR  23  -7.427  -3.558  -2.292
  135   HG21  THR  23          HG21      THR  23  -9.600  -1.989  -2.687
  136   HG22  THR  23          HG22      THR  23  -9.152  -0.375  -3.241
  137   HG23  THR  23          HG23      THR  23  -8.914  -0.824  -1.553
  138    H    THR  24           H        THR  24  -5.550  -0.948  -5.477
  139    HA   THR  24           HA       THR  24  -3.900  -3.369  -5.587
  140    HB   THR  24           HB       THR  24  -2.806  -2.237  -7.589
  141    HG1  THR  24           HG1      THR  24  -4.836  -0.392  -6.999
  142   HG21  THR  24          HG21      THR  24  -5.722  -2.995  -7.794
  143   HG22  THR  24          HG22      THR  24  -4.370  -4.123  -7.777
  144   HG23  THR  24          HG23      THR  24  -4.561  -2.997  -9.122
  145    H    CYS  25           H        CYS  25  -1.881  -3.323  -4.782
  146    HA   CYS  25           HA       CYS  25  -1.067  -1.048  -3.253
  147    HB2  CYS  25           HB2      CYS  25  -0.509  -3.339  -2.512
  148    HB3  CYS  25           HB3      CYS  25   0.439  -3.586  -3.971
  149    H    GLN  26           H        GLN  26  -0.654   0.688  -4.463
  150    HA   GLN  26           HA       GLN  26   1.031   0.389  -6.827
  151    HB2  GLN  26           HB2      GLN  26  -0.778   2.650  -5.973
  152    HB3  GLN  26           HB3      GLN  26   0.228   2.660  -7.414
  153    HG2  GLN  26           HG2      GLN  26  -1.008   0.753  -8.295
  154    HG3  GLN  26           HG3      GLN  26  -2.005   0.727  -6.845
  155   HE21  GLN  26          HE21      GLN  26  -3.841   1.030  -8.024
  156   HE22  GLN  26          HE22      GLN  26  -4.278   2.548  -8.717
  157    H    VAL  27           H        VAL  27   2.826   1.598  -7.081
  158    HA   VAL  27           HA       VAL  27   4.062   2.497  -4.645
  159    HB   VAL  27           HB       VAL  27   5.138   2.267  -7.478
  160   HG11  VAL  27          HG11      VAL  27   6.358   3.955  -6.208
  161   HG12  VAL  27          HG12      VAL  27   7.355   2.535  -6.507
  162   HG13  VAL  27          HG13      VAL  27   6.640   2.791  -4.915
  163   HG21  VAL  27          HG21      VAL  27   5.547   0.496  -5.075
  164   HG22  VAL  27          HG22      VAL  27   6.340   0.306  -6.640
  165   HG23  VAL  27          HG23      VAL  27   4.590   0.117  -6.505
  166    H    LEU  28           H        LEU  28   3.621   4.543  -4.093
  167    HA   LEU  28           HA       LEU  28   3.088   6.560  -6.120
  168    HB2  LEU  28           HB2      LEU  28   3.013   6.679  -3.117
  169    HB3  LEU  28           HB3      LEU  28   2.786   8.085  -4.125
  170    HG   LEU  28           HG       LEU  28   0.862   6.718  -5.193
  171   HD11  LEU  28          HD11      LEU  28  -0.240   5.161  -3.728
  172   HD12  LEU  28          HD12      LEU  28   1.095   5.288  -2.581
  173   HD13  LEU  28          HD13      LEU  28   1.371   4.593  -4.181
  174   HD21  LEU  28          HD21      LEU  28   0.658   7.828  -2.411
  175   HD22  LEU  28          HD22      LEU  28  -0.691   7.560  -3.533
  176   HD23  LEU  28          HD23      LEU  28   0.589   8.718  -3.935
  177    H    ASN  29           H        ASN  29   5.408   5.807  -3.630
  178    HA   ASN  29           HA       ASN  29   7.502   7.398  -4.931
  179    HB2  ASN  29           HB2      ASN  29   6.847   7.422  -1.930
  180    HB3  ASN  29           HB3      ASN  29   8.367   7.961  -2.588
  181   HD21  ASN  29          HD21      ASN  29   5.322   8.774  -4.093
  182   HD22  ASN  29          HD22      ASN  29   5.308  10.425  -3.618
  183    HA   PRO  30           HA       PRO  30   9.727   3.564  -4.079
  184    HB2  PRO  30           HB2      PRO  30  11.739   4.983  -2.397
  185    HB3  PRO  30           HB3      PRO  30  11.995   3.949  -3.806
  186    HG2  PRO  30           HG2      PRO  30  12.273   6.583  -4.011
  187    HG3  PRO  30           HG3      PRO  30  11.506   5.660  -5.313
  188    HD2  PRO  30           HD2      PRO  30  10.265   7.365  -3.201
  189    HD3  PRO  30           HD3      PRO  30   9.825   7.215  -4.913
  190    H    TYR  31           H        TYR  31   9.218   5.697  -1.360
  191    HA   TYR  31           HA       TYR  31   9.200   3.409   0.489
  192    HB2  TYR  31           HB2      TYR  31   9.083   6.372   1.069
  193    HB3  TYR  31           HB3      TYR  31   9.231   5.094   2.265
  194    HD1  TYR  31           HD1      TYR  31  10.960   6.893  -0.440
  195    HD2  TYR  31           HD2      TYR  31  11.365   4.070   2.706
  196    HE1  TYR  31           HE1      TYR  31  13.396   7.040  -0.630
  197    HE2  TYR  31           HE2      TYR  31  13.809   4.213   2.521
  198    HH   TYR  31           HH       TYR  31  15.482   4.838   0.875
  199    H    TYR  32           H        TYR  32   7.162   5.731  -1.068
  200    HA   TYR  32           HA       TYR  32   4.930   5.158   0.714
  201    HB2  TYR  32           HB2      TYR  32   5.478   7.534  -0.159
  202    HB3  TYR  32           HB3      TYR  32   4.904   6.952  -1.705
  203    HD1  TYR  32           HD1      TYR  32   2.817   5.294   0.462
  204    HD2  TYR  32           HD2      TYR  32   3.623   9.237  -0.907
  205    HE1  TYR  32           HE1      TYR  32   0.548   5.969   1.087
  206    HE2  TYR  32           HE2      TYR  32   1.351   9.925  -0.270
  207    HH   TYR  32           HH       TYR  32  -0.875   8.848   0.105
  208    H    SER  33           H        SER  33   3.832   3.351   0.220
  209    HA   SER  33           HA       SER  33   2.973   3.040  -2.534
  210    HB2  SER  33           HB2      SER  33   3.847   0.663  -0.835
  211    HB3  SER  33           HB3      SER  33   3.416   0.706  -2.556
  212    HG   SER  33           HG       SER  33   5.317   2.343  -2.523
  213    H    GLN  34           H        GLN  34   0.819   2.623  -2.594
  214    HA   GLN  34           HA       GLN  34  -0.496   2.116  -0.029
  215    HB2  GLN  34           HB2      GLN  34  -0.340   4.496  -0.152
  216    HB3  GLN  34           HB3      GLN  34  -0.944   4.537  -1.786
  217    HG2  GLN  34           HG2      GLN  34  -3.122   3.765  -0.976
  218    HG3  GLN  34           HG3      GLN  34  -2.487   3.748   0.668
  219   HE21  GLN  34          HE21      GLN  34  -2.113   5.699   1.710
  220   HE22  GLN  34          HE22      GLN  34  -2.729   7.186   1.093
  221    H    CYS  35           H        CYS  35  -2.523   1.187  -0.161
  222    HA   CYS  35           HA       CYS  35  -3.121  -0.212  -2.561
  223    HB2  CYS  35           HB2      CYS  35  -4.832   0.054  -0.085
  224    HB3  CYS  35           HB3      CYS  35  -4.908  -1.173  -1.327
  225    H    LEU  36           H        LEU  36  -3.908   0.892  -4.158
  226    HA   LEU  36           HA       LEU  36  -6.091   2.763  -3.688
  227    HB2  LEU  36           HB2      LEU  36  -4.062   2.677  -5.928
  228    HB3  LEU  36           HB3      LEU  36  -5.441   3.754  -5.878
  229    HG   LEU  36           HG       LEU  36  -3.137   3.779  -3.928
  230   HD11  LEU  36          HD11      LEU  36  -2.507   4.586  -6.140
  231   HD12  LEU  36          HD12      LEU  36  -2.575   5.909  -4.975
  232   HD13  LEU  36          HD13      LEU  36  -3.883   5.688  -6.134
  233   HD21  LEU  36          HD21      LEU  36  -5.211   4.471  -2.861
  234   HD22  LEU  36          HD22      LEU  36  -5.543   5.585  -4.184
  235   HD23  LEU  36          HD23      LEU  36  -4.163   5.864  -3.123
  236    H1   MAN 101           H1       MAN 101   9.321  -5.139  10.100
  237    H2   MAN 101           H2       MAN 101   8.091  -3.243  11.317
  238    H3   MAN 101           H3       MAN 101   8.848  -1.380   9.942
  239    H4   MAN 101           H4       MAN 101  11.601  -1.976  11.161
  240    H5   MAN 101           H5       MAN 101  10.583  -2.243   8.294
  241    H61  MAN 101           H61      MAN 101  13.279  -2.814   9.576
  242    H62  MAN 101           H62      MAN 101  12.938  -1.592   8.331
  243    HO2  MAN 101           HO2      MAN 101   9.740  -2.934  12.836
  244    HO3  MAN 101           HO3      MAN 101   9.479  -0.051  11.738
  245    HO4  MAN 101           HO4      MAN 101  11.170   0.240  10.749
  246    HO6  MAN 101           HO6      MAN 101  11.972  -3.896   7.426
  Start of MODEL    4
    1    H1   THR   1           H1       THR   1  -6.776  -7.760   5.017
    2    H2   THR   1           H2       THR   1  -5.302  -7.814   5.828
    3    H3   THR   1           H3       THR   1  -5.724  -9.071   4.765
    4    HA   THR   1           HA       THR   1  -4.187  -7.628   3.696
    5    HB   THR   1           HB       THR   1  -5.776  -6.727   1.893
    6    HG1  THR   1           HG1      THR   1  -7.936  -7.850   2.267
    7   HG21  THR   1          HG21      THR   1  -6.010  -9.642   2.686
    8   HG22  THR   1          HG22      THR   1  -4.694  -8.941   1.744
    9   HG23  THR   1          HG23      THR   1  -6.326  -8.979   1.080
   10    H    GLN   2           H        GLN   2  -3.862  -5.385   2.821
   11    HA   GLN   2           HA       GLN   2  -4.415  -3.545   4.979
   12    HB2  GLN   2           HB2      GLN   2  -2.153  -4.046   3.755
   13    HB3  GLN   2           HB3      GLN   2  -2.725  -2.911   2.561
   14    HG2  GLN   2           HG2      GLN   2  -2.479  -2.262   5.499
   15    HG3  GLN   2           HG3      GLN   2  -1.175  -1.996   4.352
   16   HE21  GLN   2          HE21      GLN   2  -2.878  -1.120   2.218
   17   HE22  GLN   2          HE22      GLN   2  -3.504   0.402   2.675
   18    H    SER   3           H        SER   3  -5.365  -1.492   4.712
   19    HA   SER   3           HA       SER   3  -7.775  -1.559   3.245
   20    HB2  SER   3           HB2      SER   3  -6.584   0.681   4.838
   21    HB3  SER   3           HB3      SER   3  -8.295   0.351   4.533
   22    HG   SER   3           HG       SER   3  -8.272  -0.878   6.182
   23    H    HIS   4           H        HIS   4  -8.632   0.197   1.972
   24    HA   HIS   4           HA       HIS   4  -7.033   1.028  -0.237
   25    HB2  HIS   4           HB2      HIS   4  -9.501   0.520  -0.301
   26    HB3  HIS   4           HB3      HIS   4  -9.779   1.950   0.663
   27    HD1  HIS   4           HD1      HIS   4 -11.273   2.972  -1.091
   28    HD2  HIS   4           HD2      HIS   4  -7.465   2.175  -2.521
   29    HE1  HIS   4           HE1      HIS   4 -11.169   4.061  -3.347
   30    HE2  HIS   4           HE2      HIS   4  -9.006   3.259  -4.312
   31    H    TYR   5           H        TYR   5  -5.936   2.910  -0.529
   32    HA   TYR   5           HA       TYR   5  -4.960   4.845  -0.185
   33    HB2  TYR   5           HB2      TYR   5  -7.434   5.503   1.421
   34    HB3  TYR   5           HB3      TYR   5  -6.095   6.636   1.276
   35    HD1  TYR   5           HD1      TYR   5  -5.357   7.270  -1.090
   36    HD2  TYR   5           HD2      TYR   5  -9.099   5.452  -0.234
   37    HE1  TYR   5           HE1      TYR   5  -6.219   8.058  -3.246
   38    HE2  TYR   5           HE2      TYR   5  -9.970   6.238  -2.399
   39    HH   TYR   5           HH       TYR   5  -9.494   7.994  -4.077
   40    H    GLY   6           H        GLY   6  -4.712   2.532   1.689
   41    HA2  GLY   6           HA2      GLY   6  -3.204   3.980   3.747
   42    HA3  GLY   6           HA3      GLY   6  -3.760   2.310   3.891
   43    H    GLN   7           H        GLN   7  -1.139   2.897   4.317
   44    HA   GLN   7           HA       GLN   7   0.387   2.451   1.907
   45    HB2  GLN   7           HB2      GLN   7   1.275   3.930   3.647
   46    HB3  GLN   7           HB3      GLN   7   1.249   2.614   4.805
   47    HG2  GLN   7           HG2      GLN   7   2.962   1.435   3.518
   48    HG3  GLN   7           HG3      GLN   7   2.971   2.736   2.326
   49   HE21  GLN   7          HE21      GLN   7   5.224   3.191   2.731
   50   HE22  GLN   7          HE22      GLN   7   5.697   3.948   4.184
   51    H    CYS   8           H        CYS   8   0.410   0.517   1.068
   52    HA   CYS   8           HA       CYS   8  -0.154  -1.873   2.532
   53    HB2  CYS   8           HB2      CYS   8   0.502  -2.925   0.269
   54    HB3  CYS   8           HB3      CYS   8  -0.933  -1.902   0.342
   55    H    GLY   9           H        GLY   9   2.790  -0.513   1.120
   56    HA2  GLY   9           HA2      GLY   9   4.514  -1.216   3.023
   57    HA3  GLY   9           HA3      GLY   9   4.297  -2.745   2.193
   58    H    GLY  10           H        GLY  10   5.690   0.326   2.193
   59    HA2  GLY  10           HA2      GLY  10   7.129  -0.311  -0.287
   60    HA3  GLY  10           HA3      GLY  10   6.924   1.322   0.358
   61    H    ILE  11           H        ILE  11   9.231   1.557   0.444
   62    HA   ILE  11           HA       ILE  11  10.735  -0.136   2.169
   63    HB   ILE  11           HB       ILE  11  11.366   2.743   1.385
   64   HG12  ILE  11          HG12      ILE  11  12.259   0.173   0.037
   65   HG13  ILE  11          HG13      ILE  11  11.032   1.264  -0.595
   66   HG21  ILE  11          HG21      ILE  11  13.692   2.103   1.860
   67   HG22  ILE  11          HG22      ILE  11  13.147   0.503   2.365
   68   HG23  ILE  11          HG23      ILE  11  12.669   1.930   3.288
   69   HD11  ILE  11          HD11      ILE  11  12.721   3.032  -0.782
   70   HD12  ILE  11          HD12      ILE  11  13.133   1.598  -1.717
   71   HD13  ILE  11          HD13      ILE  11  13.943   1.907  -0.180
   72    H    GLY  12           H        GLY  12  10.763  -0.123   4.337
   73    HA2  GLY  12           HA2      GLY  12  10.828   1.026   6.437
   74    HA3  GLY  12           HA3      GLY  12   9.802   2.271   5.745
   75    H    TYR  13           H        TYR  13   8.167  -0.039   4.525
   76    HA   TYR  13           HA       TYR  13   6.738  -0.730   6.995
   77    HB2  TYR  13           HB2      TYR  13   5.580   1.146   5.835
   78    HB3  TYR  13           HB3      TYR  13   5.450   0.156   4.392
   79    HD1  TYR  13           HD1      TYR  13   3.756   1.228   7.303
   80    HD2  TYR  13           HD2      TYR  13   4.160  -2.170   4.771
   81    HE1  TYR  13           HE1      TYR  13   1.585   0.369   8.088
   82    HE2  TYR  13           HE2      TYR  13   2.027  -3.025   5.519
   83    HH   TYR  13           HH       TYR  13  -0.207  -1.176   7.151
   84    H    SER  14           H        SER  14   6.649  -2.833   7.177
   85    HA   SER  14           HA       SER  14   5.967  -4.425   4.858
   86    HB2  SER  14           HB2      SER  14   8.250  -4.986   6.754
   87    HB3  SER  14           HB3      SER  14   7.611  -6.156   5.594
   88    H    GLY  15           H        GLY  15   4.105  -5.277   5.377
   89    HA2  GLY  15           HA2      GLY  15   3.742  -6.826   7.742
   90    HA3  GLY  15           HA3      GLY  15   2.811  -5.322   7.743
   91    HA   PRO  16           HA       PRO  16   0.105  -7.777   5.141
   92    HB2  PRO  16           HB2      PRO  16  -1.846  -5.665   5.206
   93    HB3  PRO  16           HB3      PRO  16  -1.916  -7.211   6.049
   94    HG2  PRO  16           HG2      PRO  16  -1.619  -4.729   7.267
   95    HG3  PRO  16           HG3      PRO  16  -1.253  -6.289   8.014
   96    HD2  PRO  16           HD2      PRO  16   0.592  -4.268   6.845
   97    HD3  PRO  16           HD3      PRO  16   0.850  -5.416   8.176
   98    H    THR  17           H        THR  17   1.450  -7.456   3.351
   99    HA   THR  17           HA       THR  17   1.515  -4.902   2.100
  100    HB   THR  17           HB       THR  17   3.050  -6.217   0.482
  101    HG1  THR  17           HG1      THR  17   3.101  -8.283   0.888
  102   HG21  THR  17          HG21      THR  17   3.830  -4.650   2.183
  103   HG22  THR  17          HG22      THR  17   4.910  -6.049   2.130
  104   HG23  THR  17          HG23      THR  17   3.707  -5.888   3.416
  105    H    VAL  18           H        VAL  18  -0.256  -7.771   1.758
  106    HA   VAL  18           HA       VAL  18  -1.134  -7.114  -0.920
  107    HB   VAL  18           HB       VAL  18  -2.218  -9.210   1.004
  108   HG11  VAL  18          HG11      VAL  18  -2.728  -8.841  -1.952
  109   HG12  VAL  18          HG12      VAL  18  -3.884  -8.518  -0.666
  110   HG13  VAL  18          HG13      VAL  18  -3.335 -10.168  -0.959
  111   HG21  VAL  18          HG21      VAL  18   0.100  -9.638   0.322
  112   HG22  VAL  18          HG22      VAL  18  -0.383  -9.525  -1.374
  113   HG23  VAL  18          HG23      VAL  18  -1.011 -10.824  -0.360
  114    H    CYS  19           H        CYS  19  -2.798  -5.873  -1.369
  115    HA   CYS  19           HA       CYS  19  -4.156  -4.498   0.743
  116    HB2  CYS  19           HB2      CYS  19  -4.413  -4.253  -2.254
  117    HB3  CYS  19           HB3      CYS  19  -5.076  -3.151  -1.052
  118    H    ALA  20           H        ALA  20  -6.497  -4.227   0.654
  119    HA   ALA  20           HA       ALA  20  -7.833  -6.699   0.632
  120    HB1  ALA  20           HB1      ALA  20  -8.543  -4.892   2.084
  121    HB2  ALA  20           HB2      ALA  20  -9.876  -5.351   1.020
  122    HB3  ALA  20           HB3      ALA  20  -8.932  -3.899   0.689
  123    H    SER  21           H        SER  21  -9.589  -7.364  -0.670
  124    HA   SER  21           HA       SER  21  -8.991  -7.546  -3.325
  125    HB2  SER  21           HB2      SER  21 -11.665  -7.903  -1.988
  126    HB3  SER  21           HB3      SER  21 -11.112  -8.685  -3.473
  127    HG   SER  21           HG       SER  21  -9.261  -9.332  -1.962
  128    H    GLY  22           H        GLY  22  -9.233  -6.226  -4.971
  129    HA2  GLY  22           HA2      GLY  22 -10.659  -4.847  -6.306
  130    HA3  GLY  22           HA3      GLY  22 -11.281  -4.138  -4.821
  131    H    THR  23           H        THR  23  -8.363  -4.216  -3.838
  132    HA   THR  23           HA       THR  23  -7.574  -1.815  -5.302
  133    HB   THR  23           HB       THR  23  -6.564  -0.963  -3.132
  134    HG1  THR  23           HG1      THR  23  -7.531  -3.391  -2.249
  135   HG21  THR  23          HG21      THR  23  -8.719  -0.196  -2.254
  136   HG22  THR  23          HG22      THR  23  -9.542  -1.425  -3.225
  137   HG23  THR  23          HG23      THR  23  -8.666  -0.118  -4.012
  138    H    THR  24           H        THR  24  -5.372  -1.380  -5.559
  139    HA   THR  24           HA       THR  24  -3.703  -3.779  -5.360
  140    HB   THR  24           HB       THR  24  -2.486  -2.773  -7.358
  141    HG1  THR  24           HG1      THR  24  -4.567  -0.925  -7.089
  142   HG21  THR  24          HG21      THR  24  -4.091  -3.681  -8.978
  143   HG22  THR  24          HG22      THR  24  -5.345  -3.647  -7.736
  144   HG23  THR  24          HG23      THR  24  -3.958  -4.719  -7.556
  145    H    CYS  25           H        CYS  25  -1.564  -3.500  -4.790
  146    HA   CYS  25           HA       CYS  25  -1.010  -1.157  -3.215
  147    HB2  CYS  25           HB2      CYS  25  -0.357  -3.397  -2.394
  148    HB3  CYS  25           HB3      CYS  25   0.670  -3.616  -3.804
  149    H    GLN  26           H        GLN  26  -0.623   0.577  -4.467
  150    HA   GLN  26           HA       GLN  26   1.191   0.232  -6.729
  151    HB2  GLN  26           HB2      GLN  26  -0.732   2.478  -6.106
  152    HB3  GLN  26           HB3      GLN  26   0.335   2.420  -7.503
  153    HG2  GLN  26           HG2      GLN  26  -0.797   0.374  -8.260
  154    HG3  GLN  26           HG3      GLN  26  -1.878   0.479  -6.879
  155   HE21  GLN  26          HE21      GLN  26  -3.664   0.631  -8.145
  156   HE22  GLN  26          HE22      GLN  26  -4.083   2.036  -9.056
  157    H    VAL  27           H        VAL  27   3.130   1.019  -6.670
  158    HA   VAL  27           HA       VAL  27   4.055   2.350  -4.300
  159    HB   VAL  27           HB       VAL  27   5.567   1.677  -6.847
  160   HG11  VAL  27          HG11      VAL  27   6.675   3.405  -5.531
  161   HG12  VAL  27          HG12      VAL  27   7.585   1.897  -5.465
  162   HG13  VAL  27          HG13      VAL  27   6.588   2.386  -4.098
  163   HG21  VAL  27          HG21      VAL  27   5.383   0.130  -4.261
  164   HG22  VAL  27          HG22      VAL  27   6.416  -0.280  -5.629
  165   HG23  VAL  27          HG23      VAL  27   4.662  -0.337  -5.798
  166    H    LEU  28           H        LEU  28   3.581   4.404  -4.123
  167    HA   LEU  28           HA       LEU  28   3.294   6.111  -6.464
  168    HB2  LEU  28           HB2      LEU  28   3.016   6.825  -3.541
  169    HB3  LEU  28           HB3      LEU  28   2.472   7.768  -4.909
  170    HG   LEU  28           HG       LEU  28   1.326   5.152  -3.944
  171   HD11  LEU  28          HD11      LEU  28   0.221   7.944  -3.978
  172   HD12  LEU  28          HD12      LEU  28   0.692   7.010  -2.557
  173   HD13  LEU  28          HD13      LEU  28  -0.685   6.502  -3.533
  174   HD21  LEU  28          HD21      LEU  28   0.538   6.838  -6.315
  175   HD22  LEU  28          HD22      LEU  28  -0.381   5.472  -5.681
  176   HD23  LEU  28          HD23      LEU  28   1.226   5.211  -6.359
  177    H    ASN  29           H        ASN  29   5.092   5.979  -3.457
  178    HA   ASN  29           HA       ASN  29   7.183   7.658  -4.641
  179    HB2  ASN  29           HB2      ASN  29   6.265   7.569  -1.737
  180    HB3  ASN  29           HB3      ASN  29   7.608   8.508  -2.364
  181   HD21  ASN  29          HD21      ASN  29   5.160   9.343  -0.954
  182   HD22  ASN  29          HD22      ASN  29   4.399  10.487  -1.987
  183    HA   PRO  30           HA       PRO  30  10.004   4.360  -3.839
  184    HB2  PRO  30           HB2      PRO  30  11.449   6.101  -1.879
  185    HB3  PRO  30           HB3      PRO  30  12.101   5.144  -3.220
  186    HG2  PRO  30           HG2      PRO  30  11.846   7.741  -3.545
  187    HG3  PRO  30           HG3      PRO  30  11.312   6.649  -4.836
  188    HD2  PRO  30           HD2      PRO  30   9.677   8.099  -2.796
  189    HD3  PRO  30           HD3      PRO  30   9.359   7.893  -4.529
  190    H    TYR  31           H        TYR  31   9.144   6.033  -0.773
  191    HA   TYR  31           HA       TYR  31   9.327   3.440   0.585
  192    HB2  TYR  31           HB2      TYR  31   8.816   6.192   1.769
  193    HB3  TYR  31           HB3      TYR  31   9.098   4.712   2.651
  194    HD1  TYR  31           HD1      TYR  31  10.736   7.102   0.322
  195    HD2  TYR  31           HD2      TYR  31  11.275   4.101   3.278
  196    HE1  TYR  31           HE1      TYR  31  13.116   7.641   0.422
  197    HE2  TYR  31           HE2      TYR  31  13.675   4.633   3.378
  198    HH   TYR  31           HH       TYR  31  15.380   5.646   1.888
  199    H    TYR  32           H        TYR  32   7.052   5.803  -0.571
  200    HA   TYR  32           HA       TYR  32   4.962   4.580   1.021
  201    HB2  TYR  32           HB2      TYR  32   5.177   7.083   0.858
  202    HB3  TYR  32           HB3      TYR  32   4.564   6.934  -0.790
  203    HD1  TYR  32           HD1      TYR  32   2.223   6.853  -1.164
  204    HD2  TYR  32           HD2      TYR  32   3.775   6.096   2.720
  205    HE1  TYR  32           HE1      TYR  32  -0.056   6.796  -0.254
  206    HE2  TYR  32           HE2      TYR  32   1.508   6.031   3.629
  207    HH   TYR  32           HH       TYR  32  -0.721   6.838   3.098
  208    H    SER  33           H        SER  33   3.955   2.907   0.281
  209    HA   SER  33           HA       SER  33   3.089   2.908  -2.512
  210    HB2  SER  33           HB2      SER  33   3.586   0.512  -0.707
  211    HB3  SER  33           HB3      SER  33   3.164   0.471  -2.423
  212    HG   SER  33           HG       SER  33   5.285   1.962  -2.315
  213    H    GLN  34           H        GLN  34   0.865   2.691  -2.746
  214    HA   GLN  34           HA       GLN  34  -0.657   2.516  -0.239
  215    HB2  GLN  34           HB2      GLN  34  -0.331   4.857  -0.848
  216    HB3  GLN  34           HB3      GLN  34  -0.999   4.548  -2.442
  217    HG2  GLN  34           HG2      GLN  34  -3.153   4.076  -1.486
  218    HG3  GLN  34           HG3      GLN  34  -2.506   4.251   0.143
  219   HE21  GLN  34          HE21      GLN  34  -2.017   6.326   0.913
  220   HE22  GLN  34          HE22      GLN  34  -2.621   7.728   0.137
  221    H    CYS  35           H        CYS  35  -2.644   1.519  -0.399
  222    HA   CYS  35           HA       CYS  35  -3.089  -0.067  -2.723
  223    HB2  CYS  35           HB2      CYS  35  -4.866   0.266  -0.314
  224    HB3  CYS  35           HB3      CYS  35  -4.921  -0.987  -1.524
  225    H    LEU  36           H        LEU  36  -3.902   0.765  -4.418
  226    HA   LEU  36           HA       LEU  36  -6.173   2.590  -4.247
  227    HB2  LEU  36           HB2      LEU  36  -4.039   2.387  -6.380
  228    HB3  LEU  36           HB3      LEU  36  -5.445   3.428  -6.453
  229    HG   LEU  36           HG       LEU  36  -3.211   3.670  -4.436
  230   HD11  LEU  36          HD11      LEU  36  -2.476   4.270  -6.672
  231   HD12  LEU  36          HD12      LEU  36  -2.637   5.712  -5.665
  232   HD13  LEU  36          HD13      LEU  36  -3.874   5.326  -6.859
  233   HD21  LEU  36          HD21      LEU  36  -5.343   4.439  -3.544
  234   HD22  LEU  36          HD22      LEU  36  -5.607   5.421  -4.981
  235   HD23  LEU  36          HD23      LEU  36  -4.286   5.809  -3.877
  236    H1   MAN 101           H1       MAN 101   9.836  -6.167   4.762
  237    H2   MAN 101           H2       MAN 101  10.250  -4.629   6.806
  238    H3   MAN 101           H3       MAN 101  10.015  -2.467   5.615
  239    H4   MAN 101           H4       MAN 101  12.555  -3.397   4.291
  240    H5   MAN 101           H5       MAN 101   9.761  -2.847   3.142
  241    H61  MAN 101           H61      MAN 101  11.637  -2.318   1.579
  242    H62  MAN 101           H62      MAN 101  10.637  -3.677   1.021
  243    HO2  MAN 101           HO2      MAN 101  12.514  -4.718   6.547
  244    HO3  MAN 101           HO3      MAN 101  12.049  -1.571   6.328
  245    HO4  MAN 101           HO4      MAN 101  12.480  -1.442   3.251
  246    HO6  MAN 101           HO6      MAN 101  12.245  -4.996   2.278
  Start of MODEL    5
    1    H1   THR   1           H1       THR   1  -5.207  -8.832   5.814
    2    H2   THR   1           H2       THR   1  -5.992  -7.467   6.455
    3    H3   THR   1           H3       THR   1  -4.309  -7.516   6.389
    4    HA   THR   1           HA       THR   1  -4.409  -7.551   3.999
    5    HB   THR   1           HB       THR   1  -7.404  -7.369   4.389
    6    HG1  THR   1           HG1      THR   1  -6.970  -9.697   3.448
    7   HG21  THR   1          HG21      THR   1  -6.502  -6.527   2.239
    8   HG22  THR   1          HG22      THR   1  -7.449  -8.000   2.013
    9   HG23  THR   1          HG23      THR   1  -5.687  -8.070   1.991
   10    H    GLN   2           H        GLN   2  -4.165  -5.488   3.041
   11    HA   GLN   2           HA       GLN   2  -4.754  -3.288   4.850
   12    HB2  GLN   2           HB2      GLN   2  -2.484  -3.994   3.486
   13    HB3  GLN   2           HB3      GLN   2  -3.152  -2.771   2.420
   14    HG2  GLN   2           HG2      GLN   2  -2.620  -2.361   5.373
   15    HG3  GLN   2           HG3      GLN   2  -1.505  -1.916   4.089
   16   HE21  GLN   2          HE21      GLN   2  -3.439  -0.952   2.292
   17   HE22  GLN   2          HE22      GLN   2  -4.107   0.490   2.937
   18    H    SER   3           H        SER   3  -6.012  -1.547   4.268
   19    HA   SER   3           HA       SER   3  -7.873  -2.122   2.128
   20    HB2  SER   3           HB2      SER   3  -9.203  -0.321   3.389
   21    HB3  SER   3           HB3      SER   3  -8.964  -1.887   4.170
   22    HG   SER   3           HG       SER   3  -8.180   0.554   4.956
   23    H    HIS   4           H        HIS   4  -8.955   0.001   1.290
   24    HA   HIS   4           HA       HIS   4  -7.191   1.238  -0.501
   25    HB2  HIS   4           HB2      HIS   4  -9.657   0.922  -0.817
   26    HB3  HIS   4           HB3      HIS   4  -9.933   2.135   0.410
   27    HD1  HIS   4           HD1      HIS   4 -10.876   4.067  -0.769
   28    HD2  HIS   4           HD2      HIS   4  -7.726   2.386  -2.887
   29    HE1  HIS   4           HE1      HIS   4 -10.596   5.506  -2.770
   30    HE2  HIS   4           HE2      HIS   4  -8.878   4.314  -4.173
   31    H    TYR   5           H        TYR   5  -5.904   2.979  -0.317
   32    HA   TYR   5           HA       TYR   5  -4.867   4.767   0.434
   33    HB2  TYR   5           HB2      TYR   5  -7.574   5.405   1.443
   34    HB3  TYR   5           HB3      TYR   5  -6.238   6.327   2.126
   35    HD1  TYR   5           HD1      TYR   5  -5.443   8.164   1.020
   36    HD2  TYR   5           HD2      TYR   5  -7.667   5.287  -1.162
   37    HE1  TYR   5           HE1      TYR   5  -5.352   9.614  -0.959
   38    HE2  TYR   5           HE2      TYR   5  -7.585   6.725  -3.152
   39    HH   TYR   5           HH       TYR   5  -5.445   9.256  -3.377
   40    H    GLY   6           H        GLY   6  -3.726   2.920   1.427
   41    HA2  GLY   6           HA2      GLY   6  -2.837   3.881   3.979
   42    HA3  GLY   6           HA3      GLY   6  -3.487   2.236   3.984
   43    H    GLN   7           H        GLN   7  -0.719   2.979   4.451
   44    HA   GLN   7           HA       GLN   7   0.727   2.404   2.065
   45    HB2  GLN   7           HB2      GLN   7   1.711   3.741   3.927
   46    HB3  GLN   7           HB3      GLN   7   1.705   2.306   4.937
   47    HG2  GLN   7           HG2      GLN   7   3.286   1.222   3.424
   48    HG3  GLN   7           HG3      GLN   7   3.285   2.636   2.377
   49   HE21  GLN   7          HE21      GLN   7   5.582   2.994   2.672
   50   HE22  GLN   7          HE22      GLN   7   6.192   3.504   4.182
   51    H    CYS   8           H        CYS   8   0.805   0.553   1.157
   52    HA   CYS   8           HA       CYS   8   0.112  -1.891   2.586
   53    HB2  CYS   8           HB2      CYS   8   0.207  -2.856   0.262
   54    HB3  CYS   8           HB3      CYS   8  -1.016  -1.624   0.540
   55    H    GLY   9           H        GLY   9   2.907  -0.541   0.935
   56    HA2  GLY   9           HA2      GLY   9   4.723  -2.115   2.340
   57    HA3  GLY   9           HA3      GLY   9   4.320  -2.985   0.866
   58    H    GLY  10           H        GLY  10   5.759  -0.177   2.211
   59    HA2  GLY  10           HA2      GLY  10   7.066   0.318  -0.367
   60    HA3  GLY  10           HA3      GLY  10   6.842   1.543   0.889
   61    H    ILE  11           H        ILE  11   9.338   1.393   0.212
   62    HA   ILE  11           HA       ILE  11  10.853  -0.664   1.410
   63    HB   ILE  11           HB       ILE  11  11.734   2.204   0.923
   64   HG12  ILE  11          HG12      ILE  11  12.007  -0.183  -0.925
   65   HG13  ILE  11          HG13      ILE  11  10.843   1.123  -1.138
   66   HG21  ILE  11          HG21      ILE  11  14.003   1.236   0.821
   67   HG22  ILE  11          HG22      ILE  11  13.334  -0.340   1.242
   68   HG23  ILE  11          HG23      ILE  11  13.238   0.989   2.392
   69   HD11  ILE  11          HD11      ILE  11  12.711   2.713  -1.373
   70   HD12  ILE  11          HD12      ILE  11  12.742   1.450  -2.597
   71   HD13  ILE  11          HD13      ILE  11  13.847   1.372  -1.223
   72    H    GLY  12           H        GLY  12  10.910  -1.092   3.498
   73    HA2  GLY  12           HA2      GLY  12  11.724  -0.478   5.663
   74    HA3  GLY  12           HA3      GLY  12  11.144   1.156   5.373
   75    H    TYR  13           H        TYR  13   8.694  -0.507   4.201
   76    HA   TYR  13           HA       TYR  13   7.219  -0.287   6.688
   77    HB2  TYR  13           HB2      TYR  13   6.204   0.598   4.622
   78    HB3  TYR  13           HB3      TYR  13   6.256  -1.001   3.900
   79    HD1  TYR  13           HD1      TYR  13   4.705   1.026   6.577
   80    HD2  TYR  13           HD2      TYR  13   4.510  -2.594   4.357
   81    HE1  TYR  13           HE1      TYR  13   2.470   0.591   7.490
   82    HE2  TYR  13           HE2      TYR  13   2.273  -3.033   5.258
   83    HH   TYR  13           HH       TYR  13   0.430  -0.732   6.660
   84    H    SER  14           H        SER  14   6.182  -1.970   7.709
   85    HA   SER  14           HA       SER  14   6.831  -4.667   6.820
   86    HB2  SER  14           HB2      SER  14   7.245  -3.657   9.641
   87    HB3  SER  14           HB3      SER  14   7.786  -5.199   8.952
   88    H    GLY  15           H        GLY  15   4.677  -5.210   6.399
   89    HA2  GLY  15           HA2      GLY  15   2.977  -5.747   8.579
   90    HA3  GLY  15           HA3      GLY  15   2.493  -4.240   7.814
   91    HA   PRO  16           HA       PRO  16   0.311  -7.405   5.405
   92    HB2  PRO  16           HB2      PRO  16  -1.895  -5.647   5.064
   93    HB3  PRO  16           HB3      PRO  16  -1.784  -7.016   6.171
   94    HG2  PRO  16           HG2      PRO  16  -1.920  -4.330   6.921
   95    HG3  PRO  16           HG3      PRO  16  -1.419  -5.685   7.944
   96    HD2  PRO  16           HD2      PRO  16   0.244  -3.680   6.509
   97    HD3  PRO  16           HD3      PRO  16   0.517  -4.491   8.069
   98    H    THR  17           H        THR  17   1.311  -7.410   3.447
   99    HA   THR  17           HA       THR  17   1.440  -4.992   1.904
  100    HB   THR  17           HB       THR  17   2.872  -6.407   0.423
  101    HG1  THR  17           HG1      THR  17   3.346  -8.377   2.153
  102   HG21  THR  17          HG21      THR  17   3.574  -6.374   3.358
  103   HG22  THR  17          HG22      THR  17   3.805  -5.038   2.235
  104   HG23  THR  17          HG23      THR  17   4.727  -6.533   2.032
  105    H    VAL  18           H        VAL  18  -0.659  -7.553   2.198
  106    HA   VAL  18           HA       VAL  18  -1.509  -7.588  -0.580
  107    HB   VAL  18           HB       VAL  18  -2.695  -8.983   1.842
  108   HG11  VAL  18          HG11      VAL  18  -3.908 -10.371   0.229
  109   HG12  VAL  18          HG12      VAL  18  -3.238  -9.422  -1.097
  110   HG13  VAL  18          HG13      VAL  18  -4.343  -8.671   0.053
  111   HG21  VAL  18          HG21      VAL  18  -0.431  -9.712   1.294
  112   HG22  VAL  18          HG22      VAL  18  -0.965 -10.104  -0.348
  113   HG23  VAL  18          HG23      VAL  18  -1.621 -10.979   1.036
  114    H    CYS  19           H        CYS  19  -2.903  -6.173  -1.287
  115    HA   CYS  19           HA       CYS  19  -4.435  -4.606   0.604
  116    HB2  CYS  19           HB2      CYS  19  -4.234  -4.362  -2.413
  117    HB3  CYS  19           HB3      CYS  19  -5.050  -3.233  -1.327
  118    H    ALA  20           H        ALA  20  -6.677  -4.386   0.397
  119    HA   ALA  20           HA       ALA  20  -8.147  -6.734   0.230
  120    HB1  ALA  20           HB1      ALA  20 -10.118  -5.295   0.299
  121    HB2  ALA  20           HB2      ALA  20  -9.115  -3.900  -0.100
  122    HB3  ALA  20           HB3      ALA  20  -8.889  -4.738   1.435
  123    H    SER  21           H        SER  21  -9.595  -7.523  -1.314
  124    HA   SER  21           HA       SER  21  -8.689  -7.493  -3.934
  125    HB2  SER  21           HB2      SER  21 -11.383  -8.314  -2.846
  126    HB3  SER  21           HB3      SER  21 -10.740  -8.767  -4.427
  127    HG   SER  21           HG       SER  21 -10.313  -9.923  -2.069
  128    H    GLY  22           H        GLY  22  -8.900  -6.057  -5.476
  129    HA2  GLY  22           HA2      GLY  22 -10.314  -4.643  -6.818
  130    HA3  GLY  22           HA3      GLY  22 -11.145  -4.176  -5.339
  131    H    THR  23           H        THR  23  -8.304  -4.166  -4.094
  132    HA   THR  23           HA       THR  23  -7.531  -1.565  -5.191
  133    HB   THR  23           HB       THR  23  -6.595  -0.989  -2.947
  134    HG1  THR  23           HG1      THR  23  -7.438  -3.578  -2.362
  135   HG21  THR  23          HG21      THR  23  -9.518  -1.707  -2.904
  136   HG22  THR  23          HG22      THR  23  -8.814  -0.204  -3.508
  137   HG23  THR  23          HG23      THR  23  -8.711  -0.605  -1.793
  138    H    THR  24           H        THR  24  -5.390  -1.214  -5.580
  139    HA   THR  24           HA       THR  24  -3.726  -3.629  -5.491
  140    HB   THR  24           HB       THR  24  -2.558  -2.545  -7.483
  141    HG1  THR  24           HG1      THR  24  -4.695  -0.746  -7.116
  142   HG21  THR  24          HG21      THR  24  -5.423  -3.466  -7.789
  143   HG22  THR  24          HG22      THR  24  -4.006  -4.510  -7.692
  144   HG23  THR  24          HG23      THR  24  -4.217  -3.437  -9.075
  145    H    CYS  25           H        CYS  25  -1.597  -3.452  -4.832
  146    HA   CYS  25           HA       CYS  25  -1.012  -1.126  -3.242
  147    HB2  CYS  25           HB2      CYS  25  -0.441  -3.404  -2.423
  148    HB3  CYS  25           HB3      CYS  25   0.642  -3.624  -3.793
  149    H    GLN  26           H        GLN  26  -0.603   0.578  -4.521
  150    HA   GLN  26           HA       GLN  26   1.299   0.199  -6.706
  151    HB2  GLN  26           HB2      GLN  26  -0.618   2.475  -6.187
  152    HB3  GLN  26           HB3      GLN  26   0.483   2.365  -7.551
  153    HG2  GLN  26           HG2      GLN  26  -0.686   0.306  -8.282
  154    HG3  GLN  26           HG3      GLN  26  -1.821   0.520  -6.953
  155   HE21  GLN  26          HE21      GLN  26  -3.540   0.687  -8.350
  156   HE22  GLN  26          HE22      GLN  26  -3.836   2.091  -9.302
  157    H    VAL  27           H        VAL  27   3.194   1.235  -6.718
  158    HA   VAL  27           HA       VAL  27   4.029   2.382  -4.225
  159    HB   VAL  27           HB       VAL  27   5.604   1.995  -6.801
  160   HG11  VAL  27          HG11      VAL  27   6.537   2.436  -3.970
  161   HG12  VAL  27          HG12      VAL  27   6.638   3.598  -5.293
  162   HG13  VAL  27          HG13      VAL  27   7.577   2.104  -5.352
  163   HG21  VAL  27          HG21      VAL  27   5.413   0.183  -4.395
  164   HG22  VAL  27          HG22      VAL  27   6.495  -0.043  -5.769
  165   HG23  VAL  27          HG23      VAL  27   4.747  -0.142  -5.994
  166    H    LEU  28           H        LEU  28   3.260   4.335  -3.948
  167    HA   LEU  28           HA       LEU  28   2.731   6.166  -6.119
  168    HB2  LEU  28           HB2      LEU  28   1.485   5.773  -3.782
  169    HB3  LEU  28           HB3      LEU  28   2.674   6.909  -3.219
  170    HG   LEU  28           HG       LEU  28   0.630   7.502  -5.364
  171   HD11  LEU  28          HD11      LEU  28   0.715   8.317  -2.472
  172   HD12  LEU  28          HD12      LEU  28  -0.425   7.198  -3.220
  173   HD13  LEU  28          HD13      LEU  28  -0.437   8.901  -3.670
  174   HD21  LEU  28          HD21      LEU  28   2.540   9.346  -3.924
  175   HD22  LEU  28          HD22      LEU  28   1.299   9.834  -5.082
  176   HD23  LEU  28          HD23      LEU  28   2.664   8.851  -5.612
  177    H    ASN  29           H        ASN  29   4.890   5.907  -3.375
  178    HA   ASN  29           HA       ASN  29   6.716   7.849  -4.578
  179    HB2  ASN  29           HB2      ASN  29   6.035   7.572  -1.621
  180    HB3  ASN  29           HB3      ASN  29   7.283   8.606  -2.288
  181   HD21  ASN  29          HD21      ASN  29   3.888   8.220  -1.741
  182   HD22  ASN  29          HD22      ASN  29   3.454   9.824  -2.199
  183    HA   PRO  30           HA       PRO  30   9.791   4.712  -4.124
  184    HB2  PRO  30           HB2      PRO  30  11.278   6.407  -2.171
  185    HB3  PRO  30           HB3      PRO  30  11.861   5.589  -3.627
  186    HG2  PRO  30           HG2      PRO  30  11.440   8.191  -3.689
  187    HG3  PRO  30           HG3      PRO  30  10.932   7.177  -5.052
  188    HD2  PRO  30           HD2      PRO  30   9.279   8.375  -2.863
  189    HD3  PRO  30           HD3      PRO  30   8.910   8.216  -4.594
  190    H    TYR  31           H        TYR  31   8.867   6.158  -1.006
  191    HA   TYR  31           HA       TYR  31   9.239   3.495   0.175
  192    HB2  TYR  31           HB2      TYR  31   9.117   6.177   1.591
  193    HB3  TYR  31           HB3      TYR  31   9.331   4.618   2.367
  194    HD1  TYR  31           HD1      TYR  31  10.941   7.146   0.209
  195    HD2  TYR  31           HD2      TYR  31  11.429   3.531   2.373
  196    HE1  TYR  31           HE1      TYR  31  13.386   7.324  -0.055
  197    HE2  TYR  31           HE2      TYR  31  13.857   3.690   2.114
  198    HH   TYR  31           HH       TYR  31  15.429   4.744   0.504
  199    H    TYR  32           H        TYR  32   6.893   5.960  -0.523
  200    HA   TYR  32           HA       TYR  32   4.947   4.593   1.151
  201    HB2  TYR  32           HB2      TYR  32   5.001   7.153   1.093
  202    HB3  TYR  32           HB3      TYR  32   4.438   6.993  -0.565
  203    HD1  TYR  32           HD1      TYR  32   2.184   7.035  -1.018
  204    HD2  TYR  32           HD2      TYR  32   3.485   5.860   2.854
  205    HE1  TYR  32           HE1      TYR  32  -0.152   6.865  -0.289
  206    HE2  TYR  32           HE2      TYR  32   1.145   5.691   3.593
  207    HH   TYR  32           HH       TYR  32  -1.016   6.475   3.008
  208    H    SER  33           H        SER  33   3.955   2.898   0.349
  209    HA   SER  33           HA       SER  33   3.021   3.007  -2.429
  210    HB2  SER  33           HB2      SER  33   3.475   0.554  -0.693
  211    HB3  SER  33           HB3      SER  33   3.051   0.565  -2.405
  212    HG   SER  33           HG       SER  33   5.349   0.267  -1.730
  213    H    GLN  34           H        GLN  34   0.777   2.634  -2.694
  214    HA   GLN  34           HA       GLN  34  -0.740   2.484  -0.183
  215    HB2  GLN  34           HB2      GLN  34  -0.477   4.838  -0.865
  216    HB3  GLN  34           HB3      GLN  34  -1.203   4.460  -2.417
  217    HG2  GLN  34           HG2      GLN  34  -3.289   3.874  -1.305
  218    HG3  GLN  34           HG3      GLN  34  -2.561   4.234   0.258
  219   HE21  GLN  34          HE21      GLN  34  -2.185   6.379   0.821
  220   HE22  GLN  34          HE22      GLN  34  -2.918   7.682  -0.037
  221    H    CYS  35           H        CYS  35  -2.656   1.346  -0.323
  222    HA   CYS  35           HA       CYS  35  -3.144  -0.154  -2.683
  223    HB2  CYS  35           HB2      CYS  35  -4.933   0.111  -0.247
  224    HB3  CYS  35           HB3      CYS  35  -4.968  -1.116  -1.484
  225    H    LEU  36           H        LEU  36  -3.859   0.869  -4.354
  226    HA   LEU  36           HA       LEU  36  -6.073   2.764  -4.130
  227    HB2  LEU  36           HB2      LEU  36  -3.997   2.346  -6.288
  228    HB3  LEU  36           HB3      LEU  36  -5.408   3.363  -6.494
  229    HG   LEU  36           HG       LEU  36  -3.253   3.833  -4.427
  230   HD11  LEU  36          HD11      LEU  36  -3.775   5.233  -7.046
  231   HD12  LEU  36          HD12      LEU  36  -2.419   4.154  -6.716
  232   HD13  LEU  36          HD13      LEU  36  -2.560   5.686  -5.852
  233   HD21  LEU  36          HD21      LEU  36  -5.434   4.705  -3.770
  234   HD22  LEU  36          HD22      LEU  36  -5.588   5.519  -5.325
  235   HD23  LEU  36          HD23      LEU  36  -4.333   6.014  -4.191
  236    H1   MAN 101           H1       MAN 101   9.515  -3.165  10.213
  237    H2   MAN 101           H2       MAN 101  10.590  -1.612   8.577
  238    H3   MAN 101           H3       MAN 101  10.845  -3.148   6.700
  239    H4   MAN 101           H4       MAN 101  12.926  -4.552   8.455
  240    H5   MAN 101           H5       MAN 101  10.161  -5.510   7.488
  241    H61  MAN 101           H61      MAN 101  12.354  -6.708   9.198
  242    H62  MAN 101           H62      MAN 101  11.716  -7.366   7.673
  243    HO2  MAN 101           HO2      MAN 101  12.301  -3.435   9.972
  244    HO3  MAN 101           HO3      MAN 101  13.326  -2.362   7.880
  245    HO4  MAN 101           HO4      MAN 101  13.378  -4.479   6.245
  246    HO6  MAN 101           HO6      MAN 101   9.742  -6.851   9.516
  Start of MODEL    6
    1    H1   THR   1           H1       THR   1  -7.505  -7.844   5.139
    2    H2   THR   1           H2       THR   1  -5.957  -8.163   5.734
    3    H3   THR   1           H3       THR   1  -6.678  -9.237   4.644
    4    HA   THR   1           HA       THR   1  -5.035  -7.907   3.563
    5    HB   THR   1           HB       THR   1  -6.581  -6.856   1.849
    6    HG1  THR   1           HG1      THR   1  -8.870  -7.631   2.291
    7   HG21  THR   1          HG21      THR   1  -7.500  -9.010   1.092
    8   HG22  THR   1          HG22      THR   1  -7.195  -9.703   2.684
    9   HG23  THR   1          HG23      THR   1  -5.845  -9.195   1.669
   10    H    GLN   2           H        GLN   2  -4.299  -5.833   2.952
   11    HA   GLN   2           HA       GLN   2  -4.557  -3.867   5.018
   12    HB2  GLN   2           HB2      GLN   2  -2.563  -4.605   3.352
   13    HB3  GLN   2           HB3      GLN   2  -3.216  -3.264   2.430
   14    HG2  GLN   2           HG2      GLN   2  -2.178  -3.119   5.260
   15    HG3  GLN   2           HG3      GLN   2  -1.328  -2.587   3.817
   16   HE21  GLN   2          HE21      GLN   2  -2.096  -0.839   2.733
   17   HE22  GLN   2          HE22      GLN   2  -3.066   0.360   3.498
   18    H    SER   3           H        SER   3  -5.436  -1.762   4.745
   19    HA   SER   3           HA       SER   3  -7.802  -1.845   3.135
   20    HB2  SER   3           HB2      SER   3  -6.896   0.103   5.237
   21    HB3  SER   3           HB3      SER   3  -8.497   0.068   4.486
   22    HG   SER   3           HG       SER   3  -7.987  -1.146   6.588
   23    H    HIS   4           H        HIS   4  -8.625  -0.004   2.065
   24    HA   HIS   4           HA       HIS   4  -7.017   0.916  -0.062
   25    HB2  HIS   4           HB2      HIS   4  -9.498   0.454  -0.054
   26    HB3  HIS   4           HB3      HIS   4  -9.711   1.915   0.886
   27    HD1  HIS   4           HD1      HIS   4 -11.131   3.091  -0.878
   28    HD2  HIS   4           HD2      HIS   4  -7.434   1.864  -2.296
   29    HE1  HIS   4           HE1      HIS   4 -10.959   4.009  -3.202
   30    HE2  HIS   4           HE2      HIS   4  -8.939   2.870  -4.115
   31    H    TYR   5           H        TYR   5  -5.897   2.765  -0.275
   32    HA   TYR   5           HA       TYR   5  -4.991   4.764   0.050
   33    HB2  TYR   5           HB2      TYR   5  -7.191   5.245   2.059
   34    HB3  TYR   5           HB3      TYR   5  -5.953   6.442   1.685
   35    HD1  TYR   5           HD1      TYR   5  -5.714   6.897  -0.930
   36    HD2  TYR   5           HD2      TYR   5  -9.193   5.411   0.993
   37    HE1  TYR   5           HE1      TYR   5  -7.082   7.733  -2.785
   38    HE2  TYR   5           HE2      TYR   5 -10.572   6.234  -0.856
   39    HH   TYR   5           HH       TYR   5 -10.439   7.941  -2.546
   40    H    GLY   6           H        GLY   6  -4.748   2.305   1.970
   41    HA2  GLY   6           HA2      GLY   6  -3.050   3.697   3.889
   42    HA3  GLY   6           HA3      GLY   6  -3.573   2.016   4.013
   43    H    GLN   7           H        GLN   7  -0.936   2.806   4.281
   44    HA   GLN   7           HA       GLN   7   0.457   2.359   1.830
   45    HB2  GLN   7           HB2      GLN   7   1.488   3.714   3.570
   46    HB3  GLN   7           HB3      GLN   7   1.443   2.359   4.688
   47    HG2  GLN   7           HG2      GLN   7   2.987   1.139   3.370
   48    HG3  GLN   7           HG3      GLN   7   3.015   2.375   2.118
   49   HE21  GLN   7          HE21      GLN   7   5.300   2.776   2.340
   50   HE22  GLN   7          HE22      GLN   7   5.889   3.569   3.732
   51    H    CYS   8           H        CYS   8   0.779   0.539   0.901
   52    HA   CYS   8           HA       CYS   8   0.006  -1.948   2.149
   53    HB2  CYS   8           HB2      CYS   8   0.533  -2.881  -0.137
   54    HB3  CYS   8           HB3      CYS   8  -0.754  -1.683  -0.056
   55    H    GLY   9           H        GLY   9   2.967  -0.772   0.569
   56    HA2  GLY   9           HA2      GLY   9   4.654  -2.011   2.426
   57    HA3  GLY   9           HA3      GLY   9   4.424  -3.087   1.054
   58    H    GLY  10           H        GLY  10   5.577  -0.009   2.084
   59    HA2  GLY  10           HA2      GLY  10   7.150   0.169  -0.391
   60    HA3  GLY  10           HA3      GLY  10   6.720   1.555   0.622
   61    H    ILE  11           H        ILE  11   9.291   1.476   0.264
   62    HA   ILE  11           HA       ILE  11  10.789  -0.274   1.877
   63    HB   ILE  11           HB       ILE  11  11.518   2.586   1.153
   64   HG12  ILE  11          HG12      ILE  11  12.122   0.046  -0.379
   65   HG13  ILE  11          HG13      ILE  11  10.908   1.235  -0.839
   66   HG21  ILE  11          HG21      ILE  11  13.836   1.794   1.373
   67   HG22  ILE  11          HG22      ILE  11  13.244   0.206   1.862
   68   HG23  ILE  11          HG23      ILE  11  12.943   1.613   2.882
   69   HD11  ILE  11          HD11      ILE  11  12.952   1.488  -2.141
   70   HD12  ILE  11          HD12      ILE  11  13.876   1.723  -0.655
   71   HD13  ILE  11          HD13      ILE  11  12.660   2.906  -1.134
   72    H    GLY  12           H        GLY  12  10.566  -0.485   3.990
   73    HA2  GLY  12           HA2      GLY  12  11.060   0.497   6.157
   74    HA3  GLY  12           HA3      GLY  12  10.215   1.938   5.608
   75    H    TYR  13           H        TYR  13   8.202  -0.072   4.332
   76    HA   TYR  13           HA       TYR  13   6.623  -0.215   6.777
   77    HB2  TYR  13           HB2      TYR  13   5.535   0.846   4.793
   78    HB3  TYR  13           HB3      TYR  13   5.687  -0.680   3.923
   79    HD1  TYR  13           HD1      TYR  13   4.214  -2.569   4.447
   80    HD2  TYR  13           HD2      TYR  13   3.921   1.068   6.627
   81    HE1  TYR  13           HE1      TYR  13   2.109  -3.342   5.434
   82    HE2  TYR  13           HE2      TYR  13   1.804   0.302   7.620
   83    HH   TYR  13           HH       TYR  13  -0.013  -1.338   7.091
   84    H    SER  14           H        SER  14   5.905  -2.078   7.647
   85    HA   SER  14           HA       SER  14   6.552  -4.603   6.311
   86    HB2  SER  14           HB2      SER  14   6.902  -4.185   9.268
   87    HB3  SER  14           HB3      SER  14   7.627  -5.417   8.225
   88    H    GLY  15           H        GLY  15   4.822  -6.040   6.534
   89    HA2  GLY  15           HA2      GLY  15   3.165  -6.637   8.446
   90    HA3  GLY  15           HA3      GLY  15   2.550  -5.035   8.045
   91    HA   PRO  16           HA       PRO  16   0.199  -7.809   5.344
   92    HB2  PRO  16           HB2      PRO  16  -1.800  -5.677   5.297
   93    HB3  PRO  16           HB3      PRO  16  -1.959  -7.320   5.913
   94    HG2  PRO  16           HG2      PRO  16  -1.918  -5.141   7.530
   95    HG3  PRO  16           HG3      PRO  16  -1.314  -6.727   8.036
   96    HD2  PRO  16           HD2      PRO  16   0.218  -4.329   7.094
   97    HD3  PRO  16           HD3      PRO  16   0.579  -5.461   8.416
   98    H    THR  17           H        THR  17   1.398  -7.641   3.487
   99    HA   THR  17           HA       THR  17   1.411  -5.161   2.039
  100    HB   THR  17           HB       THR  17   2.931  -6.565   0.499
  101    HG1  THR  17           HG1      THR  17   2.829  -8.608   1.049
  102   HG21  THR  17          HG21      THR  17   4.835  -6.235   2.008
  103   HG22  THR  17          HG22      THR  17   3.736  -6.072   3.375
  104   HG23  THR  17          HG23      THR  17   3.735  -4.859   2.097
  105    H    VAL  18           H        VAL  18  -0.723  -7.618   2.222
  106    HA   VAL  18           HA       VAL  18  -1.410  -7.530  -0.619
  107    HB   VAL  18           HB       VAL  18  -2.571  -9.337   1.538
  108   HG11  VAL  18          HG11      VAL  18  -2.872  -9.429  -1.460
  109   HG12  VAL  18          HG12      VAL  18  -4.110  -8.948  -0.300
  110   HG13  VAL  18          HG13      VAL  18  -3.522 -10.610  -0.321
  111   HG21  VAL  18          HG21      VAL  18  -1.263 -11.138   0.510
  112   HG22  VAL  18          HG22      VAL  18  -0.218  -9.864   1.142
  113   HG23  VAL  18          HG23      VAL  18  -0.528  -9.972  -0.590
  114    H    CYS  19           H        CYS  19  -2.786  -6.004  -1.106
  115    HA   CYS  19           HA       CYS  19  -4.303  -4.625   0.890
  116    HB2  CYS  19           HB2      CYS  19  -4.323  -4.318  -2.118
  117    HB3  CYS  19           HB3      CYS  19  -4.994  -3.186  -0.953
  118    H    ALA  20           H        ALA  20  -6.647  -4.164   0.494
  119    HA   ALA  20           HA       ALA  20  -8.190  -6.490   0.540
  120    HB1  ALA  20           HB1      ALA  20 -10.116  -4.988   0.522
  121    HB2  ALA  20           HB2      ALA  20  -9.084  -3.652   0.019
  122    HB3  ALA  20           HB3      ALA  20  -8.863  -4.385   1.607
  123    H    SER  21           H        SER  21  -9.805  -7.209  -0.906
  124    HA   SER  21           HA       SER  21  -8.995  -7.549  -3.511
  125    HB2  SER  21           HB2      SER  21 -11.486  -8.313  -3.692
  126    HB3  SER  21           HB3      SER  21 -10.369  -9.196  -2.645
  127    HG   SER  21           HG       SER  21 -12.374  -7.329  -1.930
  128    H    GLY  22           H        GLY  22  -8.866  -6.086  -5.023
  129    HA2  GLY  22           HA2      GLY  22 -10.082  -4.780  -6.633
  130    HA3  GLY  22           HA3      GLY  22 -11.044  -4.147  -5.300
  131    H    THR  23           H        THR  23  -8.170  -4.210  -3.925
  132    HA   THR  23           HA       THR  23  -7.462  -1.582  -5.000
  133    HB   THR  23           HB       THR  23  -6.597  -0.966  -2.759
  134    HG1  THR  23           HG1      THR  23  -7.283  -3.632  -2.226
  135   HG21  THR  23          HG21      THR  23  -9.429  -2.006  -2.679
  136   HG22  THR  23          HG22      THR  23  -8.920  -0.427  -3.283
  137   HG23  THR  23          HG23      THR  23  -8.736  -0.821  -1.574
  138    H    THR  24           H        THR  24  -5.336  -1.145  -5.411
  139    HA   THR  24           HA       THR  24  -3.645  -3.546  -5.468
  140    HB   THR  24           HB       THR  24  -2.529  -2.409  -7.433
  141    HG1  THR  24           HG1      THR  24  -4.676  -0.635  -6.972
  142   HG21  THR  24          HG21      THR  24  -4.267  -3.143  -9.029
  143   HG22  THR  24          HG22      THR  24  -5.419  -3.244  -7.694
  144   HG23  THR  24          HG23      THR  24  -4.013  -4.309  -7.730
  145    H    CYS  25           H        CYS  25  -1.485  -3.377  -4.971
  146    HA   CYS  25           HA       CYS  25  -0.773  -1.153  -3.290
  147    HB2  CYS  25           HB2      CYS  25  -0.084  -3.469  -2.691
  148    HB3  CYS  25           HB3      CYS  25   0.867  -3.562  -4.167
  149    H    GLN  26           H        GLN  26  -0.437   0.648  -4.420
  150    HA   GLN  26           HA       GLN  26   1.181   0.447  -6.841
  151    HB2  GLN  26           HB2      GLN  26  -0.695   2.609  -5.916
  152    HB3  GLN  26           HB3      GLN  26   0.263   2.675  -7.385
  153    HG2  GLN  26           HG2      GLN  26  -0.908   0.647  -8.185
  154    HG3  GLN  26           HG3      GLN  26  -1.921   0.712  -6.743
  155   HE21  GLN  26          HE21      GLN  26  -3.782   0.988  -7.926
  156   HE22  GLN  26          HE22      GLN  26  -4.154   2.469  -8.740
  157    H    VAL  27           H        VAL  27   3.081   1.338  -6.939
  158    HA   VAL  27           HA       VAL  27   4.143   2.558  -4.557
  159    HB   VAL  27           HB       VAL  27   5.506   1.955  -7.205
  160   HG11  VAL  27          HG11      VAL  27   7.606   2.209  -5.972
  161   HG12  VAL  27          HG12      VAL  27   6.701   2.682  -4.534
  162   HG13  VAL  27          HG13      VAL  27   6.667   3.702  -5.971
  163   HG21  VAL  27          HG21      VAL  27   6.485   0.039  -6.047
  164   HG22  VAL  27          HG22      VAL  27   4.723  -0.071  -6.106
  165   HG23  VAL  27          HG23      VAL  27   5.530   0.423  -4.616
  166    H    LEU  28           H        LEU  28   3.383   4.564  -4.348
  167    HA   LEU  28           HA       LEU  28   3.241   6.388  -6.577
  168    HB2  LEU  28           HB2      LEU  28   2.803   6.722  -3.632
  169    HB3  LEU  28           HB3      LEU  28   2.775   8.097  -4.699
  170    HG   LEU  28           HG       LEU  28   0.937   6.737  -5.951
  171   HD11  LEU  28          HD11      LEU  28   0.816   5.484  -3.239
  172   HD12  LEU  28          HD12      LEU  28   1.200   4.670  -4.756
  173   HD13  LEU  28          HD13      LEU  28  -0.416   5.342  -4.496
  174   HD21  LEU  28          HD21      LEU  28   0.467   8.052  -3.297
  175   HD22  LEU  28          HD22      LEU  28  -0.758   7.763  -4.549
  176   HD23  LEU  28          HD23      LEU  28   0.621   8.826  -4.878
  177    H    ASN  29           H        ASN  29   5.015   6.194  -3.582
  178    HA   ASN  29           HA       ASN  29   7.101   7.927  -4.716
  179    HB2  ASN  29           HB2      ASN  29   6.345   7.463  -1.811
  180    HB3  ASN  29           HB3      ASN  29   7.610   8.512  -2.414
  181   HD21  ASN  29          HD21      ASN  29   6.695  10.186  -1.253
  182   HD22  ASN  29          HD22      ASN  29   5.286  11.017  -1.773
  183    HA   PRO  30           HA       PRO  30   9.997   4.569  -4.168
  184    HB2  PRO  30           HB2      PRO  30  11.530   6.206  -2.203
  185    HB3  PRO  30           HB3      PRO  30  12.101   5.373  -3.656
  186    HG2  PRO  30           HG2      PRO  30  11.806   8.000  -3.673
  187    HG3  PRO  30           HG3      PRO  30  11.310   7.033  -5.074
  188    HD2  PRO  30           HD2      PRO  30   9.633   8.268  -2.933
  189    HD3  PRO  30           HD3      PRO  30   9.311   8.159  -4.675
  190    H    TYR  31           H        TYR  31   9.148   6.197  -1.090
  191    HA   TYR  31           HA       TYR  31   9.405   3.582   0.228
  192    HB2  TYR  31           HB2      TYR  31   9.053   6.308   1.527
  193    HB3  TYR  31           HB3      TYR  31   9.424   4.798   2.325
  194    HD1  TYR  31           HD1      TYR  31  10.805   7.358   0.019
  195    HD2  TYR  31           HD2      TYR  31  11.652   4.042   2.534
  196    HE1  TYR  31           HE1      TYR  31  13.190   7.824  -0.194
  197    HE2  TYR  31           HE2      TYR  31  14.050   4.496   2.317
  198    HH   TYR  31           HH       TYR  31  15.229   7.399   1.034
  199    H    TYR  32           H        TYR  32   7.136   6.038  -0.738
  200    HA   TYR  32           HA       TYR  32   5.104   4.791   0.905
  201    HB2  TYR  32           HB2      TYR  32   5.264   7.320   0.799
  202    HB3  TYR  32           HB3      TYR  32   4.653   7.196  -0.848
  203    HD1  TYR  32           HD1      TYR  32   3.856   6.019   2.570
  204    HD2  TYR  32           HD2      TYR  32   2.351   7.296  -1.203
  205    HE1  TYR  32           HE1      TYR  32   1.584   5.876   3.446
  206    HE2  TYR  32           HE2      TYR  32   0.055   7.154  -0.318
  207    HH   TYR  32           HH       TYR  32  -0.570   6.746   3.027
  208    H    SER  33           H        SER  33   4.041   3.157   0.189
  209    HA   SER  33           HA       SER  33   3.113   3.165  -2.587
  210    HB2  SER  33           HB2      SER  33   3.775   0.738  -0.883
  211    HB3  SER  33           HB3      SER  33   3.317   0.742  -2.589
  212    HG   SER  33           HG       SER  33   5.347   2.291  -2.576
  213    H    GLN  34           H        GLN  34   0.884   2.889  -2.740
  214    HA   GLN  34           HA       GLN  34  -0.542   2.578  -0.178
  215    HB2  GLN  34           HB2      GLN  34  -0.378   4.942  -0.764
  216    HB3  GLN  34           HB3      GLN  34  -1.065   4.616  -2.348
  217    HG2  GLN  34           HG2      GLN  34  -3.164   3.998  -1.314
  218    HG3  GLN  34           HG3      GLN  34  -2.465   4.248   0.283
  219   HE21  GLN  34          HE21      GLN  34  -2.027   6.363   0.970
  220   HE22  GLN  34          HE22      GLN  34  -2.783   7.712   0.216
  221    H    CYS  35           H        CYS  35  -2.504   1.483  -0.264
  222    HA   CYS  35           HA       CYS  35  -2.993  -0.130  -2.570
  223    HB2  CYS  35           HB2      CYS  35  -4.668   0.190  -0.077
  224    HB3  CYS  35           HB3      CYS  35  -4.792  -1.060  -1.285
  225    H    LEU  36           H        LEU  36  -3.793   0.917  -4.234
  226    HA   LEU  36           HA       LEU  36  -6.154   2.606  -3.862
  227    HB2  LEU  36           HB2      LEU  36  -4.123   2.548  -6.095
  228    HB3  LEU  36           HB3      LEU  36  -5.624   3.442  -6.177
  229    HG   LEU  36           HG       LEU  36  -3.418   3.952  -4.177
  230   HD11  LEU  36          HD11      LEU  36  -2.763   4.550  -6.454
  231   HD12  LEU  36          HD12      LEU  36  -3.018   5.988  -5.465
  232   HD13  LEU  36          HD13      LEU  36  -4.240   5.496  -6.638
  233   HD21  LEU  36          HD21      LEU  36  -5.617   4.538  -3.302
  234   HD22  LEU  36          HD22      LEU  36  -5.980   5.444  -4.766
  235   HD23  LEU  36          HD23      LEU  36  -4.702   5.993  -3.683
  236    H1   MAN 101           H1       MAN 101   9.080  -3.836  10.037
  237    H2   MAN 101           H2       MAN 101   9.791  -1.660   9.196
  238    H3   MAN 101           H3       MAN 101  10.243  -2.329   6.896
  239    H4   MAN 101           H4       MAN 101  12.593  -3.789   8.164
  240    H5   MAN 101           H5       MAN 101  10.107  -4.740   6.645
  241    H61  MAN 101           H61      MAN 101  12.497  -6.242   7.788
  242    H62  MAN 101           H62      MAN 101  11.938  -6.168   6.094
  243    HO2  MAN 101           HO2      MAN 101  10.995  -2.722  10.836
  244    HO3  MAN 101           HO3      MAN 101  12.241  -1.225   6.693
  245    HO4  MAN 101           HO4      MAN 101  13.133  -2.799   6.160
  246    HO6  MAN 101           HO6      MAN 101  10.214  -7.134   8.121
  Start of MODEL    7
    1    H1   THR   1           H1       THR   1  -4.575  -7.798   6.617
    2    H2   THR   1           H2       THR   1  -5.575  -9.035   5.992
    3    H3   THR   1           H3       THR   1  -6.250  -7.605   6.588
    4    HA   THR   1           HA       THR   1  -4.476  -7.753   4.279
    5    HB   THR   1           HB       THR   1  -7.505  -7.506   4.368
    6    HG1  THR   1           HG1      THR   1  -7.050  -9.759   3.340
    7   HG21  THR   1          HG21      THR   1  -5.571  -8.069   2.112
    8   HG22  THR   1          HG22      THR   1  -6.403  -6.538   2.374
    9   HG23  THR   1          HG23      THR   1  -7.325  -7.989   1.972
   10    H    GLN   2           H        GLN   2  -4.164  -5.664   3.295
   11    HA   GLN   2           HA       GLN   2  -4.610  -3.532   5.211
   12    HB2  GLN   2           HB2      GLN   2  -2.380  -4.233   3.931
   13    HB3  GLN   2           HB3      GLN   2  -3.016  -3.178   2.696
   14    HG2  GLN   2           HG2      GLN   2  -2.605  -2.317   5.561
   15    HG3  GLN   2           HG3      GLN   2  -1.383  -2.130   4.310
   16   HE21  GLN   2          HE21      GLN   2  -3.118  -1.417   2.220
   17   HE22  GLN   2          HE22      GLN   2  -3.794   0.112   2.583
   18    H    SER   3           H        SER   3  -5.839  -1.768   4.836
   19    HA   SER   3           HA       SER   3  -7.975  -2.089   2.967
   20    HB2  SER   3           HB2      SER   3  -7.461   0.073   4.990
   21    HB3  SER   3           HB3      SER   3  -8.995  -0.266   4.188
   22    HG   SER   3           HG       SER   3  -8.119  -1.310   6.407
   23    H    HIS   4           H        HIS   4  -8.905  -0.054   1.971
   24    HA   HIS   4           HA       HIS   4  -7.249   0.797  -0.147
   25    HB2  HIS   4           HB2      HIS   4  -9.802   0.505  -0.070
   26    HB3  HIS   4           HB3      HIS   4  -9.847   2.068   0.723
   27    HD1  HIS   4           HD1      HIS   4 -11.346   2.663  -1.429
   28    HD2  HIS   4           HD2      HIS   4  -7.328   1.984  -2.148
   29    HE1  HIS   4           HE1      HIS   4 -10.939   3.464  -3.761
   30    HE2  HIS   4           HE2      HIS   4  -8.642   2.514  -4.236
   31    H    TYR   5           H        TYR   5  -6.004   2.563  -0.356
   32    HA   TYR   5           HA       TYR   5  -5.026   4.495  -0.100
   33    HB2  TYR   5           HB2      TYR   5  -7.266   5.223   1.788
   34    HB3  TYR   5           HB3      TYR   5  -5.979   6.335   1.346
   35    HD1  TYR   5           HD1      TYR   5  -5.608   6.549  -1.285
   36    HD2  TYR   5           HD2      TYR   5  -9.232   5.328   0.569
   37    HE1  TYR   5           HE1      TYR   5  -6.850   7.213  -3.295
   38    HE2  TYR   5           HE2      TYR   5 -10.484   5.985  -1.437
   39    HH   TYR   5           HH       TYR   5  -9.034   6.574  -4.389
   40    H    GLY   6           H        GLY   6  -4.877   2.183   1.995
   41    HA2  GLY   6           HA2      GLY   6  -3.150   3.614   3.878
   42    HA3  GLY   6           HA3      GLY   6  -3.618   1.916   3.985
   43    H    GLN   7           H        GLN   7  -1.010   2.402   4.346
   44    HA   GLN   7           HA       GLN   7   0.362   2.185   1.803
   45    HB2  GLN   7           HB2      GLN   7   1.402   3.574   3.536
   46    HB3  GLN   7           HB3      GLN   7   1.405   2.217   4.648
   47    HG2  GLN   7           HG2      GLN   7   3.045   1.058   3.297
   48    HG3  GLN   7           HG3      GLN   7   2.993   2.324   2.073
   49   HE21  GLN   7          HE21      GLN   7   5.283   2.765   2.338
   50   HE22  GLN   7          HE22      GLN   7   5.846   3.540   3.747
   51    H    CYS   8           H        CYS   8   0.703   0.356   0.860
   52    HA   CYS   8           HA       CYS   8  -0.021  -2.124   2.135
   53    HB2  CYS   8           HB2      CYS   8   0.618  -3.023  -0.180
   54    HB3  CYS   8           HB3      CYS   8  -0.781  -1.960  -0.058
   55    H    GLY   9           H        GLY   9   2.932  -0.871   0.617
   56    HA2  GLY   9           HA2      GLY   9   4.617  -2.037   2.504
   57    HA3  GLY   9           HA3      GLY   9   4.417  -3.171   1.176
   58    H    GLY  10           H        GLY  10   5.524  -0.054   2.116
   59    HA2  GLY  10           HA2      GLY  10   7.125   0.063  -0.340
   60    HA3  GLY  10           HA3      GLY  10   6.691   1.467   0.646
   61    H    ILE  11           H        ILE  11   9.210   1.479   0.371
   62    HA   ILE  11           HA       ILE  11  10.719  -0.233   2.028
   63    HB   ILE  11           HB       ILE  11  11.394   2.626   1.229
   64   HG12  ILE  11          HG12      ILE  11  12.143   0.040  -0.164
   65   HG13  ILE  11          HG13      ILE  11  10.901   1.151  -0.721
   66   HG21  ILE  11          HG21      ILE  11  13.731   1.933   1.578
   67   HG22  ILE  11          HG22      ILE  11  13.177   0.342   2.099
   68   HG23  ILE  11          HG23      ILE  11  12.783   1.770   3.058
   69   HD11  ILE  11          HD11      ILE  11  13.833   1.787  -0.454
   70   HD12  ILE  11          HD12      ILE  11  12.584   2.881  -1.048
   71   HD13  ILE  11          HD13      ILE  11  12.983   1.426  -1.957
   72    H    GLY  12           H        GLY  12  10.893  -0.288   4.150
   73    HA2  GLY  12           HA2      GLY  12  11.195   0.692   6.298
   74    HA3  GLY  12           HA3      GLY  12  10.294   2.097   5.747
   75    H    TYR  13           H        TYR  13   8.474  -0.200   4.550
   76    HA   TYR  13           HA       TYR  13   6.800  -0.344   6.962
   77    HB2  TYR  13           HB2      TYR  13   5.830   0.879   5.013
   78    HB3  TYR  13           HB3      TYR  13   5.994  -0.578   4.047
   79    HD1  TYR  13           HD1      TYR  13   3.968   1.199   6.463
   80    HD2  TYR  13           HD2      TYR  13   4.541  -2.579   4.595
   81    HE1  TYR  13           HE1      TYR  13   1.715   0.519   7.148
   82    HE2  TYR  13           HE2      TYR  13   2.289  -3.266   5.284
   83    HH   TYR  13           HH       TYR  13   0.017  -1.167   6.183
   84    H    SER  14           H        SER  14   6.030  -2.320   7.624
   85    HA   SER  14           HA       SER  14   6.385  -4.631   5.938
   86    HB2  SER  14           HB2      SER  14   7.473  -5.910   7.736
   87    HB3  SER  14           HB3      SER  14   8.453  -4.497   7.336
   88    H    GLY  15           H        GLY  15   4.684  -6.098   6.328
   89    HA2  GLY  15           HA2      GLY  15   3.162  -6.593   8.417
   90    HA3  GLY  15           HA3      GLY  15   2.580  -4.992   7.959
   91    HA   PRO  16           HA       PRO  16   0.117  -7.685   5.332
   92    HB2  PRO  16           HB2      PRO  16  -1.931  -5.719   5.200
   93    HB3  PRO  16           HB3      PRO  16  -1.928  -7.183   6.171
   94    HG2  PRO  16           HG2      PRO  16  -1.811  -4.577   7.163
   95    HG3  PRO  16           HG3      PRO  16  -1.435  -6.063   8.047
   96    HD2  PRO  16           HD2      PRO  16   0.400  -4.084   6.810
   97    HD3  PRO  16           HD3      PRO  16   0.612  -5.093   8.260
   98    H    THR  17           H        THR  17   1.393  -7.457   3.513
   99    HA   THR  17           HA       THR  17   1.434  -4.992   2.070
  100    HB   THR  17           HB       THR  17   2.851  -6.303   0.453
  101    HG1  THR  17           HG1      THR  17   3.270  -8.404   0.861
  102   HG21  THR  17          HG21      THR  17   3.837  -5.034   2.303
  103   HG22  THR  17          HG22      THR  17   4.748  -6.523   2.028
  104   HG23  THR  17          HG23      THR  17   3.616  -6.413   3.374
  105    H    VAL  18           H        VAL  18  -0.492  -7.770   2.103
  106    HA   VAL  18           HA       VAL  18  -1.445  -7.490  -0.605
  107    HB   VAL  18           HB       VAL  18  -2.580  -9.173   1.656
  108   HG11  VAL  18          HG11      VAL  18  -4.225  -8.737  -0.088
  109   HG12  VAL  18          HG12      VAL  18  -3.726 -10.428  -0.104
  110   HG13  VAL  18          HG13      VAL  18  -3.093  -9.311  -1.314
  111   HG21  VAL  18          HG21      VAL  18  -0.724  -9.963  -0.593
  112   HG22  VAL  18          HG22      VAL  18  -1.448 -11.066   0.579
  113   HG23  VAL  18          HG23      VAL  18  -0.295  -9.844   1.114
  114    H    CYS  19           H        CYS  19  -2.925  -6.108  -1.198
  115    HA   CYS  19           HA       CYS  19  -4.337  -4.510   0.743
  116    HB2  CYS  19           HB2      CYS  19  -4.383  -4.425  -2.282
  117    HB3  CYS  19           HB3      CYS  19  -5.029  -3.211  -1.190
  118    H    ALA  20           H        ALA  20  -6.664  -4.156   0.431
  119    HA   ALA  20           HA       ALA  20  -8.138  -6.537   0.428
  120    HB1  ALA  20           HB1      ALA  20  -8.903  -4.518   1.578
  121    HB2  ALA  20           HB2      ALA  20 -10.121  -5.092   0.432
  122    HB3  ALA  20           HB3      ALA  20  -9.111  -3.709   0.023
  123    H    SER  21           H        SER  21  -9.660  -7.341  -1.101
  124    HA   SER  21           HA       SER  21  -8.785  -7.379  -3.714
  125    HB2  SER  21           HB2      SER  21 -11.141  -8.394  -4.093
  126    HB3  SER  21           HB3      SER  21 -10.020  -9.235  -3.013
  127    HG   SER  21           HG       SER  21 -12.117  -7.469  -2.245
  128    H    GLY  22           H        GLY  22  -8.981  -6.033  -5.311
  129    HA2  GLY  22           HA2      GLY  22 -10.381  -4.642  -6.708
  130    HA3  GLY  22           HA3      GLY  22 -11.164  -4.055  -5.244
  131    H    THR  23           H        THR  23  -8.371  -4.045  -4.005
  132    HA   THR  23           HA       THR  23  -7.590  -1.477  -5.192
  133    HB   THR  23           HB       THR  23  -6.680  -0.821  -2.996
  134    HG1  THR  23           HG1      THR  23  -7.319  -3.497  -2.364
  135   HG21  THR  23          HG21      THR  23  -8.768  -0.711  -1.723
  136   HG22  THR  23          HG22      THR  23  -9.465  -1.939  -2.778
  137   HG23  THR  23          HG23      THR  23  -9.032  -0.357  -3.432
  138    H    THR  24           H        THR  24  -5.422  -1.098  -5.611
  139    HA   THR  24           HA       THR  24  -3.790  -3.530  -5.619
  140    HB   THR  24           HB       THR  24  -2.700  -2.471  -7.663
  141    HG1  THR  24           HG1      THR  24  -4.802  -0.634  -7.210
  142   HG21  THR  24          HG21      THR  24  -5.606  -3.287  -7.835
  143   HG22  THR  24          HG22      THR  24  -4.218  -4.377  -7.840
  144   HG23  THR  24          HG23      THR  24  -4.471  -3.269  -9.185
  145    H    CYS  25           H        CYS  25  -1.663  -3.366  -5.000
  146    HA   CYS  25           HA       CYS  25  -0.953  -1.099  -3.405
  147    HB2  CYS  25           HB2      CYS  25  -0.253  -3.371  -2.755
  148    HB3  CYS  25           HB3      CYS  25   0.680  -3.521  -4.240
  149    H    GLN  26           H        GLN  26  -0.522   0.729  -4.453
  150    HA   GLN  26           HA       GLN  26   1.165   0.525  -6.806
  151    HB2  GLN  26           HB2      GLN  26  -0.843   2.643  -6.073
  152    HB3  GLN  26           HB3      GLN  26   0.236   2.740  -7.455
  153    HG2  GLN  26           HG2      GLN  26  -0.774   0.628  -8.308
  154    HG3  GLN  26           HG3      GLN  26  -1.925   0.700  -6.979
  155   HE21  GLN  26          HE21      GLN  26  -3.660   0.863  -8.312
  156   HE22  GLN  26          HE22      GLN  26  -4.028   2.286  -9.220
  157    H    VAL  27           H        VAL  27   3.036   1.388  -6.798
  158    HA   VAL  27           HA       VAL  27   4.039   2.589  -4.383
  159    HB   VAL  27           HB       VAL  27   5.454   2.054  -7.019
  160   HG11  VAL  27          HG11      VAL  27   6.618   3.699  -5.657
  161   HG12  VAL  27          HG12      VAL  27   7.522   2.186  -5.722
  162   HG13  VAL  27          HG13      VAL  27   6.587   2.596  -4.282
  163   HG21  VAL  27          HG21      VAL  27   5.325   0.366  -4.524
  164   HG22  VAL  27          HG22      VAL  27   6.350   0.045  -5.923
  165   HG23  VAL  27          HG23      VAL  27   4.592  -0.008  -6.084
  166    H    LEU  28           H        LEU  28   3.651   4.665  -4.088
  167    HA   LEU  28           HA       LEU  28   3.231   6.423  -6.376
  168    HB2  LEU  28           HB2      LEU  28   2.935   6.968  -3.420
  169    HB3  LEU  28           HB3      LEU  28   2.497   8.077  -4.702
  170    HG   LEU  28           HG       LEU  28   1.177   5.423  -4.117
  171   HD11  LEU  28          HD11      LEU  28  -0.760   6.794  -3.540
  172   HD12  LEU  28          HD12      LEU  28   0.210   8.250  -3.782
  173   HD13  LEU  28          HD13      LEU  28   0.628   7.110  -2.500
  174   HD21  LEU  28          HD21      LEU  28   0.556   7.495  -6.205
  175   HD22  LEU  28          HD22      LEU  28  -0.449   6.096  -5.813
  176   HD23  LEU  28          HD23      LEU  28   1.160   5.859  -6.498
  177    H    ASN  29           H        ASN  29   5.211   6.160  -3.509
  178    HA   ASN  29           HA       ASN  29   7.234   7.897  -4.750
  179    HB2  ASN  29           HB2      ASN  29   6.680   7.619  -1.756
  180    HB3  ASN  29           HB3      ASN  29   7.918   8.596  -2.516
  181   HD21  ASN  29          HD21      ASN  29   5.880   9.383  -0.663
  182   HD22  ASN  29          HD22      ASN  29   4.938  10.597  -1.435
  183    HA   PRO  30           HA       PRO  30  10.006   4.445  -4.260
  184    HB2  PRO  30           HB2      PRO  30  11.620   6.097  -2.359
  185    HB3  PRO  30           HB3      PRO  30  12.155   5.146  -3.752
  186    HG2  PRO  30           HG2      PRO  30  11.994   7.749  -3.996
  187    HG3  PRO  30           HG3      PRO  30  11.344   6.720  -5.289
  188    HD2  PRO  30           HD2      PRO  30   9.885   8.186  -3.131
  189    HD3  PRO  30           HD3      PRO  30   9.458   8.018  -4.846
  190    H    TYR  31           H        TYR  31   9.276   6.100  -1.217
  191    HA   TYR  31           HA       TYR  31   9.511   3.522   0.184
  192    HB2  TYR  31           HB2      TYR  31   9.192   6.313   1.318
  193    HB3  TYR  31           HB3      TYR  31   9.443   4.853   2.255
  194    HD1  TYR  31           HD1      TYR  31  11.643   4.176   2.793
  195    HD2  TYR  31           HD2      TYR  31  11.070   7.025  -0.307
  196    HE1  TYR  31           HE1      TYR  31  14.075   4.565   2.689
  197    HE2  TYR  31           HE2      TYR  31  13.483   7.410  -0.417
  198    HH   TYR  31           HH       TYR  31  15.679   5.367   0.952
  199    H    TYR  32           H        TYR  32   7.199   5.872  -0.886
  200    HA   TYR  32           HA       TYR  32   5.159   4.775   0.883
  201    HB2  TYR  32           HB2      TYR  32   5.379   7.250   0.720
  202    HB3  TYR  32           HB3      TYR  32   4.872   7.142  -0.962
  203    HD1  TYR  32           HD1      TYR  32   2.621   7.623  -1.386
  204    HD2  TYR  32           HD2      TYR  32   3.713   5.915   2.366
  205    HE1  TYR  32           HE1      TYR  32   0.283   7.748  -0.629
  206    HE2  TYR  32           HE2      TYR  32   1.376   6.043   3.101
  207    HH   TYR  32           HH       TYR  32  -1.166   6.874   0.917
  208    H    SER  33           H        SER  33   4.050   3.112   0.219
  209    HA   SER  33           HA       SER  33   3.132   3.038  -2.560
  210    HB2  SER  33           HB2      SER  33   3.759   0.652  -0.788
  211    HB3  SER  33           HB3      SER  33   3.338   0.626  -2.504
  212    HG   SER  33           HG       SER  33   5.462   0.606  -2.673
  213    H    GLN  34           H        GLN  34   0.937   2.853  -2.726
  214    HA   GLN  34           HA       GLN  34  -0.555   2.476  -0.231
  215    HB2  GLN  34           HB2      GLN  34  -0.487   4.811  -0.478
  216    HB3  GLN  34           HB3      GLN  34  -0.724   4.746  -2.206
  217    HG2  GLN  34           HG2      GLN  34  -3.042   4.074  -1.865
  218    HG3  GLN  34           HG3      GLN  34  -2.785   4.083  -0.117
  219   HE21  GLN  34          HE21      GLN  34  -2.798   6.018   0.967
  220   HE22  GLN  34          HE22      GLN  34  -3.152   7.515   0.187
  221    H    CYS  35           H        CYS  35  -2.494   1.411  -0.389
  222    HA   CYS  35           HA       CYS  35  -2.970  -0.091  -2.770
  223    HB2  CYS  35           HB2      CYS  35  -4.669   0.140  -0.287
  224    HB3  CYS  35           HB3      CYS  35  -4.786  -1.073  -1.543
  225    H    LEU  36           H        LEU  36  -3.795   0.924  -4.423
  226    HA   LEU  36           HA       LEU  36  -6.038   2.757  -4.057
  227    HB2  LEU  36           HB2      LEU  36  -4.082   2.462  -6.336
  228    HB3  LEU  36           HB3      LEU  36  -5.492   3.502  -6.381
  229    HG   LEU  36           HG       LEU  36  -3.154   3.813  -4.487
  230   HD11  LEU  36          HD11      LEU  36  -2.554   4.356  -6.785
  231   HD12  LEU  36          HD12      LEU  36  -2.655   5.816  -5.794
  232   HD13  LEU  36          HD13      LEU  36  -3.959   5.416  -6.911
  233   HD21  LEU  36          HD21      LEU  36  -5.588   5.533  -4.945
  234   HD22  LEU  36          HD22      LEU  36  -4.201   5.960  -3.947
  235   HD23  LEU  36          HD23      LEU  36  -5.221   4.602  -3.491
  236    H1   MAN 101           H1       MAN 101   8.945  -5.690   9.634
  237    H2   MAN 101           H2       MAN 101   7.316  -4.913  11.569
  238    H3   MAN 101           H3       MAN 101   7.888  -3.114  12.792
  239    H4   MAN 101           H4       MAN 101   8.592  -1.148  11.368
  240    H5   MAN 101           H5       MAN 101   8.714  -2.045   8.766
  241    H61  MAN 101           H61      MAN 101  11.122  -1.725   8.842
  242    H62  MAN 101           H62      MAN 101  11.138  -1.837  10.618
  243    HO2  MAN 101           HO2      MAN 101   9.113  -6.367  11.705
  244    HO3  MAN 101           HO3      MAN 101   9.947  -3.988  12.970
  245    HO4  MAN 101           HO4      MAN 101   6.762  -2.964  10.128
  246    HO6  MAN 101           HO6      MAN 101   9.715   0.122   9.060
  Start of MODEL    8
    1    H1   THR   1           H1       THR   1  -6.084  -7.279   6.650
    2    H2   THR   1           H2       THR   1  -4.422  -7.468   6.450
    3    H3   THR   1           H3       THR   1  -5.510  -8.698   5.967
    4    HA   THR   1           HA       THR   1  -4.700  -7.468   4.089
    5    HB   THR   1           HB       THR   1  -7.631  -7.001   4.701
    6    HG1  THR   1           HG1      THR   1  -7.142  -9.345   3.461
    7   HG21  THR   1          HG21      THR   1  -6.836  -6.102   2.565
    8   HG22  THR   1          HG22      THR   1  -7.882  -7.501   2.301
    9   HG23  THR   1          HG23      THR   1  -6.134  -7.666   2.164
   10    H    GLN   2           H        GLN   2  -4.123  -5.464   3.306
   11    HA   GLN   2           HA       GLN   2  -4.374  -3.282   5.181
   12    HB2  GLN   2           HB2      GLN   2  -2.272  -4.179   3.779
   13    HB3  GLN   2           HB3      GLN   2  -2.877  -3.039   2.601
   14    HG2  GLN   2           HG2      GLN   2  -2.243  -2.294   5.457
   15    HG3  GLN   2           HG3      GLN   2  -1.076  -2.173   4.148
   16   HE21  GLN   2          HE21      GLN   2  -2.932  -1.271   2.194
   17   HE22  GLN   2          HE22      GLN   2  -3.411   0.313   2.618
   18    H    SER   3           H        SER   3  -5.475  -1.442   4.800
   19    HA   SER   3           HA       SER   3  -7.732  -1.641   3.121
   20    HB2  SER   3           HB2      SER   3  -6.833   0.631   4.879
   21    HB3  SER   3           HB3      SER   3  -8.454   0.390   4.224
   22    HG   SER   3           HG       SER   3  -8.680  -0.553   6.075
   23    H    HIS   4           H        HIS   4  -8.543   0.075   1.810
   24    HA   HIS   4           HA       HIS   4  -6.905   0.826  -0.353
   25    HB2  HIS   4           HB2      HIS   4  -9.468   0.471  -0.246
   26    HB3  HIS   4           HB3      HIS   4  -9.544   2.094   0.410
   27    HD1  HIS   4           HD1      HIS   4 -11.008   2.700  -1.738
   28    HD2  HIS   4           HD2      HIS   4  -7.085   1.623  -2.519
   29    HE1  HIS   4           HE1      HIS   4 -10.631   3.234  -4.146
   30    HE2  HIS   4           HE2      HIS   4  -8.428   2.062  -4.604
   31    H    TYR   5           H        TYR   5  -5.772   2.708  -0.723
   32    HA   TYR   5           HA       TYR   5  -4.780   4.649  -0.438
   33    HB2  TYR   5           HB2      TYR   5  -7.116   5.337   1.353
   34    HB3  TYR   5           HB3      TYR   5  -5.845   6.477   0.930
   35    HD1  TYR   5           HD1      TYR   5  -8.970   5.077  -0.013
   36    HD2  TYR   5           HD2      TYR   5  -5.491   6.952  -1.567
   37    HE1  TYR   5           HE1      TYR   5 -10.204   5.671  -2.046
   38    HE2  TYR   5           HE2      TYR   5  -6.718   7.557  -3.607
   39    HH   TYR   5           HH       TYR   5 -10.066   7.363  -3.779
   40    H    GLY   6           H        GLY   6  -4.460   2.340   1.475
   41    HA2  GLY   6           HA2      GLY   6  -2.952   3.852   3.482
   42    HA3  GLY   6           HA3      GLY   6  -3.501   2.187   3.695
   43    H    GLN   7           H        GLN   7  -0.879   2.811   4.154
   44    HA   GLN   7           HA       GLN   7   0.729   2.335   1.826
   45    HB2  GLN   7           HB2      GLN   7   1.557   3.682   3.737
   46    HB3  GLN   7           HB3      GLN   7   1.525   2.244   4.743
   47    HG2  GLN   7           HG2      GLN   7   3.207   1.199   3.295
   48    HG3  GLN   7           HG3      GLN   7   3.253   2.649   2.298
   49   HE21  GLN   7          HE21      GLN   7   5.497   3.040   2.743
   50   HE22  GLN   7          HE22      GLN   7   5.994   3.512   4.301
   51    H    CYS   8           H        CYS   8   0.820   0.481   0.904
   52    HA   CYS   8           HA       CYS   8   0.133  -1.971   2.303
   53    HB2  CYS   8           HB2      CYS   8   0.298  -2.921  -0.027
   54    HB3  CYS   8           HB3      CYS   8  -0.946  -1.703   0.258
   55    H    GLY   9           H        GLY   9   2.998  -0.542   0.878
   56    HA2  GLY   9           HA2      GLY   9   4.752  -2.200   2.252
   57    HA3  GLY   9           HA3      GLY   9   4.435  -2.981   0.712
   58    H    GLY  10           H        GLY  10   5.489   0.013   2.168
   59    HA2  GLY  10           HA2      GLY  10   6.974   0.613  -0.289
   60    HA3  GLY  10           HA3      GLY  10   6.631   1.759   1.012
   61    H    ILE  11           H        ILE  11   9.149   1.805   0.433
   62    HA   ILE  11           HA       ILE  11  10.785  -0.213   1.518
   63    HB   ILE  11           HB       ILE  11  11.441   2.740   1.199
   64   HG12  ILE  11          HG12      ILE  11  11.954   0.416  -0.678
   65   HG13  ILE  11          HG13      ILE  11  10.725   1.651  -0.908
   66   HG21  ILE  11          HG21      ILE  11  13.787   2.006   1.175
   67   HG22  ILE  11          HG22      ILE  11  13.270   0.350   1.489
   68   HG23  ILE  11          HG23      ILE  11  12.992   1.605   2.701
   69   HD11  ILE  11          HD11      ILE  11  12.669   2.063  -2.298
   70   HD12  ILE  11          HD12      ILE  11  13.703   2.094  -0.870
   71   HD13  ILE  11          HD13      ILE  11  12.481   3.346  -1.102
   72    H    GLY  12           H        GLY  12  10.800  -0.838   3.559
   73    HA2  GLY  12           HA2      GLY  12  11.522  -0.347   5.801
   74    HA3  GLY  12           HA3      GLY  12  10.750   1.229   5.651
   75    H    TYR  13           H        TYR  13   8.487  -0.364   4.241
   76    HA   TYR  13           HA       TYR  13   7.022  -0.744   6.710
   77    HB2  TYR  13           HB2      TYR  13   6.014   0.512   4.787
   78    HB3  TYR  13           HB3      TYR  13   6.011  -0.976   3.858
   79    HD1  TYR  13           HD1      TYR  13   4.342  -2.737   4.340
   80    HD2  TYR  13           HD2      TYR  13   4.463   0.847   6.630
   81    HE1  TYR  13           HE1      TYR  13   2.120  -3.253   5.250
   82    HE2  TYR  13           HE2      TYR  13   2.247   0.345   7.552
   83    HH   TYR  13           HH       TYR  13   0.258  -0.965   6.745
   84    H    SER  14           H        SER  14   6.296  -2.628   7.456
   85    HA   SER  14           HA       SER  14   6.726  -5.077   5.946
   86    HB2  SER  14           HB2      SER  14   7.738  -6.060   8.025
   87    HB3  SER  14           HB3      SER  14   8.734  -4.790   7.303
   88    H    GLY  15           H        GLY  15   4.898  -6.354   6.177
   89    HA2  GLY  15           HA2      GLY  15   3.497  -7.144   8.224
   90    HA3  GLY  15           HA3      GLY  15   2.987  -5.461   8.178
   91    HA   PRO  16           HA       PRO  16  -0.175  -7.345   5.594
   92    HB2  PRO  16           HB2      PRO  16  -1.425  -4.696   5.640
   93    HB3  PRO  16           HB3      PRO  16  -2.050  -6.227   6.255
   94    HG2  PRO  16           HG2      PRO  16  -1.264  -4.237   7.887
   95    HG3  PRO  16           HG3      PRO  16  -1.071  -5.948   8.317
   96    HD2  PRO  16           HD2      PRO  16   0.966  -4.017   7.274
   97    HD3  PRO  16           HD3      PRO  16   1.094  -5.238   8.564
   98    H    THR  17           H        THR  17   0.932  -7.545   3.669
   99    HA   THR  17           HA       THR  17   1.340  -5.175   2.063
  100    HB   THR  17           HB       THR  17   2.533  -6.925   0.577
  101    HG1  THR  17           HG1      THR  17   3.184  -8.529   2.564
  102   HG21  THR  17          HG21      THR  17   3.548  -6.316   3.362
  103   HG22  THR  17          HG22      THR  17   3.705  -5.259   1.964
  104   HG23  THR  17          HG23      THR  17   4.549  -6.812   1.996
  105    H    VAL  18           H        VAL  18  -0.853  -7.743   2.391
  106    HA   VAL  18           HA       VAL  18  -1.739  -7.693  -0.367
  107    HB   VAL  18           HB       VAL  18  -2.947  -9.108   2.040
  108   HG11  VAL  18          HG11      VAL  18  -3.535  -9.463  -0.898
  109   HG12  VAL  18          HG12      VAL  18  -4.608  -8.728   0.291
  110   HG13  VAL  18          HG13      VAL  18  -4.204 -10.442   0.409
  111   HG21  VAL  18          HG21      VAL  18  -1.192 -10.184  -0.166
  112   HG22  VAL  18          HG22      VAL  18  -1.954 -11.151   1.095
  113   HG23  VAL  18          HG23      VAL  18  -0.721  -9.962   1.517
  114    H    CYS  19           H        CYS  19  -3.136  -6.252  -1.090
  115    HA   CYS  19           HA       CYS  19  -4.458  -4.462   0.735
  116    HB2  CYS  19           HB2      CYS  19  -4.419  -4.548  -2.289
  117    HB3  CYS  19           HB3      CYS  19  -5.117  -3.265  -1.316
  118    H    ALA  20           H        ALA  20  -6.783  -3.885   0.231
  119    HA   ALA  20           HA       ALA  20  -8.403  -6.162   0.633
  120    HB1  ALA  20           HB1      ALA  20  -9.241  -3.334  -0.002
  121    HB2  ALA  20           HB2      ALA  20  -8.895  -3.966   1.609
  122    HB3  ALA  20           HB3      ALA  20 -10.260  -4.598   0.690
  123    H    SER  21           H        SER  21 -10.449  -6.520  -0.620
  124    HA   SER  21           HA       SER  21  -9.943  -7.550  -3.091
  125    HB2  SER  21           HB2      SER  21 -12.605  -6.634  -2.011
  126    HB3  SER  21           HB3      SER  21 -12.313  -7.925  -3.183
  127    HG   SER  21           HG       SER  21 -12.626  -8.603  -0.929
  128    H    GLY  22           H        GLY  22  -9.380  -6.464  -4.876
  129    HA2  GLY  22           HA2      GLY  22 -10.083  -5.291  -6.787
  130    HA3  GLY  22           HA3      GLY  22 -11.148  -4.327  -5.778
  131    H    THR  23           H        THR  23  -8.262  -4.484  -4.171
  132    HA   THR  23           HA       THR  23  -7.462  -1.977  -5.451
  133    HB   THR  23           HB       THR  23  -6.591  -1.186  -3.276
  134    HG1  THR  23           HG1      THR  23  -7.436  -3.752  -2.467
  135   HG21  THR  23          HG21      THR  23  -8.746  -0.875  -2.146
  136   HG22  THR  23          HG22      THR  23  -9.446  -2.123  -3.186
  137   HG23  THR  23          HG23      THR  23  -8.867  -0.613  -3.885
  138    H    THR  24           H        THR  24  -5.350  -1.561  -5.824
  139    HA   THR  24           HA       THR  24  -3.633  -3.920  -5.636
  140    HB   THR  24           HB       THR  24  -2.484  -2.932  -7.657
  141    HG1  THR  24           HG1      THR  24  -4.685  -1.169  -7.455
  142   HG21  THR  24          HG21      THR  24  -4.159  -3.853  -9.235
  143   HG22  THR  24          HG22      THR  24  -5.346  -3.852  -7.930
  144   HG23  THR  24          HG23      THR  24  -3.927  -4.890  -7.827
  145    H    CYS  25           H        CYS  25  -1.509  -3.644  -5.019
  146    HA   CYS  25           HA       CYS  25  -0.978  -1.254  -3.493
  147    HB2  CYS  25           HB2      CYS  25  -0.370  -3.466  -2.588
  148    HB3  CYS  25           HB3      CYS  25   0.684  -3.742  -3.969
  149    H    GLN  26           H        GLN  26  -0.243   0.484  -4.562
  150    HA   GLN  26           HA       GLN  26   1.685   0.022  -6.729
  151    HB2  GLN  26           HB2      GLN  26  -0.357   2.232  -6.518
  152    HB3  GLN  26           HB3      GLN  26   0.795   2.011  -7.824
  153    HG2  GLN  26           HG2      GLN  26  -0.280  -0.089  -8.427
  154    HG3  GLN  26           HG3      GLN  26  -1.426   0.119  -7.103
  155   HE21  GLN  26          HE21      GLN  26  -3.185   0.154  -8.411
  156   HE22  GLN  26          HE22      GLN  26  -3.546   1.462  -9.468
  157    H    VAL  27           H        VAL  27   3.467   1.268  -6.687
  158    HA   VAL  27           HA       VAL  27   4.152   2.541  -4.234
  159    HB   VAL  27           HB       VAL  27   5.613   2.567  -6.899
  160   HG11  VAL  27          HG11      VAL  27   6.640   3.124  -4.122
  161   HG12  VAL  27          HG12      VAL  27   6.349   4.325  -5.376
  162   HG13  VAL  27          HG13      VAL  27   7.602   3.105  -5.602
  163   HG21  VAL  27          HG21      VAL  27   5.270   0.282  -6.110
  164   HG22  VAL  27          HG22      VAL  27   5.959   0.711  -4.544
  165   HG23  VAL  27          HG23      VAL  27   6.967   0.736  -5.989
  166    H    LEU  28           H        LEU  28   3.668   4.615  -3.746
  167    HA   LEU  28           HA       LEU  28   2.716   6.333  -5.925
  168    HB2  LEU  28           HB2      LEU  28   1.394   5.825  -3.713
  169    HB3  LEU  28           HB3      LEU  28   2.520   6.942  -2.982
  170    HG   LEU  28           HG       LEU  28   0.593   7.665  -5.209
  171   HD11  LEU  28          HD11      LEU  28  -0.610   7.093  -3.192
  172   HD12  LEU  28          HD12      LEU  28  -0.678   8.831  -3.485
  173   HD13  LEU  28          HD13      LEU  28   0.405   8.187  -2.254
  174   HD21  LEU  28          HD21      LEU  28   1.109   9.987  -4.634
  175   HD22  LEU  28          HD22      LEU  28   2.575   9.131  -5.119
  176   HD23  LEU  28          HD23      LEU  28   2.259   9.439  -3.416
  177    H    ASN  29           H        ASN  29   4.930   6.211  -3.192
  178    HA   ASN  29           HA       ASN  29   6.646   8.194  -4.483
  179    HB2  ASN  29           HB2      ASN  29   6.013   8.143  -1.496
  180    HB3  ASN  29           HB3      ASN  29   7.178   9.192  -2.278
  181   HD21  ASN  29          HD21      ASN  29   3.964   8.788  -1.307
  182   HD22  ASN  29          HD22      ASN  29   3.356  10.253  -1.968
  183    HA   PRO  30           HA       PRO  30   9.997   5.361  -3.780
  184    HB2  PRO  30           HB2      PRO  30  11.066   7.165  -1.635
  185    HB3  PRO  30           HB3      PRO  30  11.933   6.355  -2.945
  186    HG2  PRO  30           HG2      PRO  30  11.350   8.903  -3.193
  187    HG3  PRO  30           HG3      PRO  30  11.095   7.817  -4.570
  188    HD2  PRO  30           HD2      PRO  30   9.109   9.010  -2.707
  189    HD3  PRO  30           HD3      PRO  30   8.952   8.699  -4.447
  190    H    TYR  31           H        TYR  31   8.892   6.660  -0.626
  191    HA   TYR  31           HA       TYR  31   9.279   3.970   0.495
  192    HB2  TYR  31           HB2      TYR  31   8.766   6.615   1.863
  193    HB3  TYR  31           HB3      TYR  31   8.895   5.078   2.697
  194    HD1  TYR  31           HD1      TYR  31  10.782   7.528   0.653
  195    HD2  TYR  31           HD2      TYR  31  10.998   4.188   3.269
  196    HE1  TYR  31           HE1      TYR  31  13.205   7.858   0.871
  197    HE2  TYR  31           HE2      TYR  31  13.419   4.513   3.487
  198    HH   TYR  31           HH       TYR  31  15.215   5.515   2.282
  199    H    TYR  32           H        TYR  32   6.814   6.196  -0.441
  200    HA   TYR  32           HA       TYR  32   4.871   4.733   1.159
  201    HB2  TYR  32           HB2      TYR  32   4.824   7.282   1.106
  202    HB3  TYR  32           HB3      TYR  32   4.301   7.124  -0.556
  203    HD1  TYR  32           HD1      TYR  32   2.056   7.054  -1.036
  204    HD2  TYR  32           HD2      TYR  32   3.358   5.899   2.835
  205    HE1  TYR  32           HE1      TYR  32  -0.273   6.783  -0.334
  206    HE2  TYR  32           HE2      TYR  32   1.018   5.635   3.549
  207    HH   TYR  32           HH       TYR  32  -1.180   6.358   2.929
  208    H    SER  33           H        SER  33   4.031   2.961   0.304
  209    HA   SER  33           HA       SER  33   3.187   3.046  -2.506
  210    HB2  SER  33           HB2      SER  33   3.652   0.618  -0.732
  211    HB3  SER  33           HB3      SER  33   3.220   0.596  -2.445
  212    HG   SER  33           HG       SER  33   5.329   0.411  -2.550
  213    H    GLN  34           H        GLN  34   0.984   2.670  -2.877
  214    HA   GLN  34           HA       GLN  34  -0.635   2.520  -0.442
  215    HB2  GLN  34           HB2      GLN  34  -0.373   4.847  -1.108
  216    HB3  GLN  34           HB3      GLN  34  -0.945   4.469  -2.722
  217    HG2  GLN  34           HG2      GLN  34  -3.124   3.939  -1.871
  218    HG3  GLN  34           HG3      GLN  34  -2.561   4.159  -0.214
  219   HE21  GLN  34          HE21      GLN  34  -2.231   6.231   0.562
  220   HE22  GLN  34          HE22      GLN  34  -2.832   7.621  -0.248
  221    H    CYS  35           H        CYS  35  -2.522   1.372  -0.629
  222    HA   CYS  35           HA       CYS  35  -2.914  -0.235  -2.952
  223    HB2  CYS  35           HB2      CYS  35  -4.770   0.145  -0.596
  224    HB3  CYS  35           HB3      CYS  35  -4.807  -1.124  -1.789
  225    H    LEU  36           H        LEU  36  -3.869   0.461  -4.686
  226    HA   LEU  36           HA       LEU  36  -5.988   2.465  -4.516
  227    HB2  LEU  36           HB2      LEU  36  -3.991   1.960  -6.728
  228    HB3  LEU  36           HB3      LEU  36  -5.336   3.075  -6.840
  229    HG   LEU  36           HG       LEU  36  -3.030   3.340  -4.902
  230   HD11  LEU  36          HD11      LEU  36  -2.332   3.707  -7.213
  231   HD12  LEU  36          HD12      LEU  36  -2.338   5.214  -6.295
  232   HD13  LEU  36          HD13      LEU  36  -3.647   4.865  -7.425
  233   HD21  LEU  36          HD21      LEU  36  -3.951   5.576  -4.492
  234   HD22  LEU  36          HD22      LEU  36  -5.084   4.314  -4.029
  235   HD23  LEU  36          HD23      LEU  36  -5.321   5.203  -5.536
  236    H1   MAN 101           H1       MAN 101   9.005  -5.551  10.027
  237    H2   MAN 101           H2       MAN 101   7.894  -2.986  11.127
  238    H3   MAN 101           H3       MAN 101   9.547  -2.879  12.855
  239    H4   MAN 101           H4       MAN 101  11.673  -2.467  11.183
  240    H5   MAN 101           H5       MAN 101   9.324  -1.997   9.315
  241    H61  MAN 101           H61      MAN 101  11.522  -0.994   8.813
  242    H62  MAN 101           H62      MAN 101  10.989  -2.135   7.572
  243    HO2  MAN 101           HO2      MAN 101   8.665  -5.532  12.133
  244    HO3  MAN 101           HO3      MAN 101  10.946  -4.885  11.389
  245    HO4  MAN 101           HO4      MAN 101  10.731  -0.412  10.884
  246    HO6  MAN 101           HO6      MAN 101  12.295  -3.697   9.093
  Start of MODEL    9
    1    H1   THR   1           H1       THR   1  -7.863  -7.070   6.536
    2    H2   THR   1           H2       THR   1  -6.286  -7.537   6.946
    3    H3   THR   1           H3       THR   1  -7.335  -8.630   6.176
    4    HA   THR   1           HA       THR   1  -5.712  -7.770   4.661
    5    HB   THR   1           HB       THR   1  -8.465  -6.682   4.029
    6    HG1  THR   1           HG1      THR   1  -9.218  -8.725   3.924
    7   HG21  THR   1          HG21      THR   1  -6.429  -8.236   2.428
    8   HG22  THR   1          HG22      THR   1  -6.734  -6.500   2.300
    9   HG23  THR   1          HG23      THR   1  -7.982  -7.657   1.834
   10    H    GLN   2           H        GLN   2  -4.897  -5.816   3.528
   11    HA   GLN   2           HA       GLN   2  -4.921  -3.524   5.270
   12    HB2  GLN   2           HB2      GLN   2  -2.955  -4.678   3.901
   13    HB3  GLN   2           HB3      GLN   2  -3.545  -3.664   2.602
   14    HG2  GLN   2           HG2      GLN   2  -2.526  -2.710   5.270
   15    HG3  GLN   2           HG3      GLN   2  -1.624  -2.682   3.766
   16   HE21  GLN   2          HE21      GLN   2  -2.389  -1.328   2.128
   17   HE22  GLN   2          HE22      GLN   2  -3.296   0.090   2.495
   18    H    SER   3           H        SER   3  -5.876  -1.584   4.786
   19    HA   SER   3           HA       SER   3  -8.207  -1.725   3.134
   20    HB2  SER   3           HB2      SER   3  -7.171   0.546   4.828
   21    HB3  SER   3           HB3      SER   3  -8.804   0.358   4.190
   22    HG   SER   3           HG       SER   3  -8.596  -0.290   6.363
   23    H    HIS   4           H        HIS   4  -8.875  -0.009   1.721
   24    HA   HIS   4           HA       HIS   4  -7.065   0.695  -0.335
   25    HB2  HIS   4           HB2      HIS   4  -9.586   0.367  -0.512
   26    HB3  HIS   4           HB3      HIS   4  -9.755   1.881   0.344
   27    HD1  HIS   4           HD1      HIS   4 -11.209   2.419  -1.866
   28    HD2  HIS   4           HD2      HIS   4  -7.107   2.200  -2.395
   29    HE1  HIS   4           HE1      HIS   4 -10.753   3.499  -4.075
   30    HE2  HIS   4           HE2      HIS   4  -8.368   2.965  -4.511
   31    H    TYR   5           H        TYR   5  -5.892   2.523  -0.577
   32    HA   TYR   5           HA       TYR   5  -4.937   4.500  -0.299
   33    HB2  TYR   5           HB2      TYR   5  -7.125   5.165   1.678
   34    HB3  TYR   5           HB3      TYR   5  -5.890   6.288   1.143
   35    HD1  TYR   5           HD1      TYR   5  -5.789   6.671  -1.462
   36    HD2  TYR   5           HD2      TYR   5  -9.153   5.114   0.611
   37    HE1  TYR   5           HE1      TYR   5  -7.256   7.375  -3.310
   38    HE2  TYR   5           HE2      TYR   5 -10.618   5.808  -1.224
   39    HH   TYR   5           HH       TYR   5 -10.610   7.473  -3.010
   40    H    GLY   6           H        GLY   6  -4.905   2.125   1.799
   41    HA2  GLY   6           HA2      GLY   6  -3.308   3.509   3.807
   42    HA3  GLY   6           HA3      GLY   6  -3.760   1.802   3.829
   43    H    GLN   7           H        GLN   7  -1.154   2.584   4.337
   44    HA   GLN   7           HA       GLN   7   0.322   2.294   1.896
   45    HB2  GLN   7           HB2      GLN   7   1.203   3.687   3.719
   46    HB3  GLN   7           HB3      GLN   7   1.246   2.284   4.774
   47    HG2  GLN   7           HG2      GLN   7   2.922   1.249   3.322
   48    HG3  GLN   7           HG3      GLN   7   2.875   2.659   2.267
   49   HE21  GLN   7          HE21      GLN   7   5.155   3.087   2.669
   50   HE22  GLN   7          HE22      GLN   7   5.596   3.701   4.198
   51    H    CYS   8           H        CYS   8   0.625   0.463   0.967
   52    HA   CYS   8           HA       CYS   8  -0.044  -2.031   2.248
   53    HB2  CYS   8           HB2      CYS   8   0.591  -2.943  -0.044
   54    HB3  CYS   8           HB3      CYS   8  -0.792  -1.856   0.044
   55    H    GLY   9           H        GLY   9   2.870  -0.565   0.894
   56    HA2  GLY   9           HA2      GLY   9   4.642  -1.561   2.681
   57    HA3  GLY   9           HA3      GLY   9   4.442  -2.862   1.509
   58    H    GLY  10           H        GLY  10   5.761   0.214   2.138
   59    HA2  GLY  10           HA2      GLY  10   6.977   0.219  -0.536
   60    HA3  GLY  10           HA3      GLY  10   6.782   1.649   0.483
   61    H    ILE  11           H        ILE  11   9.207   1.658  -0.046
   62    HA   ILE  11           HA       ILE  11  10.895  -0.183   1.252
   63    HB   ILE  11           HB       ILE  11  11.436   2.749   0.646
   64   HG12  ILE  11          HG12      ILE  11  12.078   0.300  -1.016
   65   HG13  ILE  11          HG13      ILE  11  10.770   1.427  -1.348
   66   HG21  ILE  11          HG21      ILE  11  13.340   0.462   1.166
   67   HG22  ILE  11          HG22      ILE  11  13.030   1.830   2.236
   68   HG23  ILE  11          HG23      ILE  11  13.801   2.091   0.672
   69   HD11  ILE  11          HD11      ILE  11  12.691   1.865  -2.767
   70   HD12  ILE  11          HD12      ILE  11  13.704   2.085  -1.339
   71   HD13  ILE  11          HD13      ILE  11  12.394   3.218  -1.673
   72    H    GLY  12           H        GLY  12  11.119  -0.502   3.379
   73    HA2  GLY  12           HA2      GLY  12  11.724   0.314   5.533
   74    HA3  GLY  12           HA3      GLY  12  10.897   1.818   5.154
   75    H    TYR  13           H        TYR  13   8.789  -0.249   3.998
   76    HA   TYR  13           HA       TYR  13   7.318  -0.390   6.527
   77    HB2  TYR  13           HB2      TYR  13   6.204   0.733   4.618
   78    HB3  TYR  13           HB3      TYR  13   6.350  -0.728   3.665
   79    HD1  TYR  13           HD1      TYR  13   4.345   1.105   5.952
   80    HD2  TYR  13           HD2      TYR  13   5.030  -2.831   4.532
   81    HE1  TYR  13           HE1      TYR  13   2.130   0.423   6.773
   82    HE2  TYR  13           HE2      TYR  13   2.815  -3.520   5.352
   83    HH   TYR  13           HH       TYR  13   0.457  -1.387   6.134
   84    H    SER  14           H        SER  14   6.780  -2.322   7.392
   85    HA   SER  14           HA       SER  14   7.188  -4.724   5.809
   86    HB2  SER  14           HB2      SER  14   8.253  -4.362   8.597
   87    HB3  SER  14           HB3      SER  14   8.500  -5.767   7.561
   88    H    GLY  15           H        GLY  15   5.105  -5.488   5.849
   89    HA2  GLY  15           HA2      GLY  15   3.938  -6.376   8.205
   90    HA3  GLY  15           HA3      GLY  15   3.251  -4.800   7.808
   91    HA   PRO  16           HA       PRO  16   0.742  -7.851   5.541
   92    HB2  PRO  16           HB2      PRO  16  -1.508  -6.081   5.913
   93    HB3  PRO  16           HB3      PRO  16  -1.250  -7.677   6.614
   94    HG2  PRO  16           HG2      PRO  16  -1.242  -5.343   8.065
   95    HG3  PRO  16           HG3      PRO  16  -0.400  -6.817   8.558
   96    HD2  PRO  16           HD2      PRO  16   0.684  -4.358   7.257
   97    HD3  PRO  16           HD3      PRO  16   1.400  -5.379   8.530
   98    H    THR  17           H        THR  17   1.441  -7.549   3.505
   99    HA   THR  17           HA       THR  17   1.101  -5.052   2.147
  100    HB   THR  17           HB       THR  17   2.096  -6.469   0.247
  101    HG1  THR  17           HG1      THR  17   2.738  -8.442   0.740
  102   HG21  THR  17          HG21      THR  17   3.648  -6.130   2.825
  103   HG22  THR  17          HG22      THR  17   3.379  -4.868   1.625
  104   HG23  THR  17          HG23      THR  17   4.336  -6.289   1.206
  105    H    VAL  18           H        VAL  18  -0.767  -7.830   2.572
  106    HA   VAL  18           HA       VAL  18  -1.963  -8.029  -0.012
  107    HB   VAL  18           HB       VAL  18  -3.110  -9.005   2.619
  108   HG11  VAL  18          HG11      VAL  18  -4.751  -8.975   0.827
  109   HG12  VAL  18          HG12      VAL  18  -4.325 -10.638   1.243
  110   HG13  VAL  18          HG13      VAL  18  -3.661  -9.896  -0.210
  111   HG21  VAL  18          HG21      VAL  18  -1.296 -10.438   0.679
  112   HG22  VAL  18          HG22      VAL  18  -2.077 -11.175   2.078
  113   HG23  VAL  18          HG23      VAL  18  -0.870  -9.907   2.306
  114    H    CYS  19           H        CYS  19  -3.118  -6.436  -0.853
  115    HA   CYS  19           HA       CYS  19  -4.551  -4.558   0.796
  116    HB2  CYS  19           HB2      CYS  19  -4.345  -4.707  -2.242
  117    HB3  CYS  19           HB3      CYS  19  -5.028  -3.393  -1.308
  118    H    ALA  20           H        ALA  20  -6.780  -3.975   0.254
  119    HA   ALA  20           HA       ALA  20  -8.586  -6.098   0.434
  120    HB1  ALA  20           HB1      ALA  20  -9.064  -3.850   1.266
  121    HB2  ALA  20           HB2      ALA  20 -10.308  -4.364   0.126
  122    HB3  ALA  20           HB3      ALA  20  -9.060  -3.232  -0.386
  123    H    SER  21           H        SER  21 -10.207  -6.759  -1.073
  124    HA   SER  21           HA       SER  21  -9.206  -7.449  -3.566
  125    HB2  SER  21           HB2      SER  21 -12.087  -7.395  -2.655
  126    HB3  SER  21           HB3      SER  21 -11.411  -8.375  -3.958
  127    HG   SER  21           HG       SER  21  -9.907  -8.941  -1.968
  128    H    GLY  22           H        GLY  22  -8.956  -6.257  -5.297
  129    HA2  GLY  22           HA2      GLY  22  -9.881  -4.960  -7.065
  130    HA3  GLY  22           HA3      GLY  22 -10.940  -4.188  -5.895
  131    H    THR  23           H        THR  23  -8.211  -4.209  -4.226
  132    HA   THR  23           HA       THR  23  -7.376  -1.666  -5.402
  133    HB   THR  23           HB       THR  23  -6.637  -0.946  -3.164
  134    HG1  THR  23           HG1      THR  23  -7.263  -3.606  -2.514
  135   HG21  THR  23          HG21      THR  23  -9.449  -2.033  -3.133
  136   HG22  THR  23          HG22      THR  23  -8.937  -0.474  -3.787
  137   HG23  THR  23          HG23      THR  23  -8.815  -0.792  -2.055
  138    H    THR  24           H        THR  24  -5.261  -1.329  -5.829
  139    HA   THR  24           HA       THR  24  -3.573  -3.705  -5.522
  140    HB   THR  24           HB       THR  24  -2.429  -2.896  -7.626
  141    HG1  THR  24           HG1      THR  24  -4.539  -1.012  -7.448
  142   HG21  THR  24          HG21      THR  24  -4.020  -4.764  -7.665
  143   HG22  THR  24          HG22      THR  24  -4.181  -3.792  -9.128
  144   HG23  THR  24          HG23      THR  24  -5.359  -3.630  -7.828
  145    H    CYS  25           H        CYS  25  -1.625  -3.473  -4.648
  146    HA   CYS  25           HA       CYS  25  -0.843  -1.091  -3.352
  147    HB2  CYS  25           HB2      CYS  25  -0.210  -3.334  -2.539
  148    HB3  CYS  25           HB3      CYS  25   0.753  -3.590  -3.989
  149    H    GLN  26           H        GLN  26  -0.175   0.669  -4.421
  150    HA   GLN  26           HA       GLN  26   1.659   0.283  -6.658
  151    HB2  GLN  26           HB2      GLN  26  -0.491   2.374  -6.367
  152    HB3  GLN  26           HB3      GLN  26   0.720   2.370  -7.641
  153    HG2  GLN  26           HG2      GLN  26  -0.106   0.160  -8.376
  154    HG3  GLN  26           HG3      GLN  26  -1.366   0.259  -7.154
  155   HE21  GLN  26          HE21      GLN  26  -2.982   0.144  -8.679
  156   HE22  GLN  26          HE22      GLN  26  -3.322   1.462  -9.752
  157    H    VAL  27           H        VAL  27   3.460   1.423  -6.714
  158    HA   VAL  27           HA       VAL  27   4.342   2.661  -4.291
  159    HB   VAL  27           HB       VAL  27   5.726   2.349  -6.979
  160   HG11  VAL  27          HG11      VAL  27   6.786   4.066  -5.637
  161   HG12  VAL  27          HG12      VAL  27   7.817   2.646  -5.758
  162   HG13  VAL  27          HG13      VAL  27   6.909   2.950  -4.278
  163   HG21  VAL  27          HG21      VAL  27   6.858   0.421  -5.994
  164   HG22  VAL  27          HG22      VAL  27   5.110   0.187  -6.047
  165   HG23  VAL  27          HG23      VAL  27   5.896   0.615  -4.529
  166    H    LEU  28           H        LEU  28   3.509   4.670  -3.952
  167    HA   LEU  28           HA       LEU  28   3.103   6.525  -6.161
  168    HB2  LEU  28           HB2      LEU  28   2.810   6.997  -3.186
  169    HB3  LEU  28           HB3      LEU  28   2.279   8.077  -4.454
  170    HG   LEU  28           HG       LEU  28   1.102   5.385  -3.783
  171   HD11  LEU  28          HD11      LEU  28   0.516   7.135  -2.214
  172   HD12  LEU  28          HD12      LEU  28  -0.877   6.706  -3.210
  173   HD13  LEU  28          HD13      LEU  28   0.022   8.183  -3.543
  174   HD21  LEU  28          HD21      LEU  28   1.022   5.737  -6.183
  175   HD22  LEU  28          HD22      LEU  28   0.338   7.347  -5.945
  176   HD23  LEU  28          HD23      LEU  28  -0.587   5.912  -5.480
  177    H    ASN  29           H        ASN  29   5.065   6.158  -3.327
  178    HA   ASN  29           HA       ASN  29   7.090   7.976  -4.405
  179    HB2  ASN  29           HB2      ASN  29   6.249   7.624  -1.503
  180    HB3  ASN  29           HB3      ASN  29   7.608   8.590  -2.068
  181   HD21  ASN  29          HD21      ASN  29   5.285   9.295  -0.467
  182   HD22  ASN  29          HD22      ASN  29   4.497  10.585  -1.289
  183    HA   PRO  30           HA       PRO  30   9.678   4.426  -3.794
  184    HB2  PRO  30           HB2      PRO  30  11.400   5.914  -1.878
  185    HB3  PRO  30           HB3      PRO  30  11.858   5.054  -3.350
  186    HG2  PRO  30           HG2      PRO  30  11.792   7.698  -3.307
  187    HG3  PRO  30           HG3      PRO  30  11.221   6.813  -4.733
  188    HD2  PRO  30           HD2      PRO  30   9.653   8.149  -2.565
  189    HD3  PRO  30           HD3      PRO  30   9.312   8.088  -4.300
  190    H    TYR  31           H        TYR  31   9.061   6.203  -0.767
  191    HA   TYR  31           HA       TYR  31   9.245   3.649   0.651
  192    HB2  TYR  31           HB2      TYR  31   9.035   6.483   1.706
  193    HB3  TYR  31           HB3      TYR  31   9.175   5.047   2.702
  194    HD1  TYR  31           HD1      TYR  31  10.972   7.035   0.111
  195    HD2  TYR  31           HD2      TYR  31  11.306   4.188   3.240
  196    HE1  TYR  31           HE1      TYR  31  13.417   7.223   0.012
  197    HE2  TYR  31           HE2      TYR  31  13.749   4.360   3.147
  198    HH   TYR  31           HH       TYR  31  15.438   4.990   1.537
  199    H    TYR  32           H        TYR  32   6.901   6.103  -0.289
  200    HA   TYR  32           HA       TYR  32   4.900   4.695   1.262
  201    HB2  TYR  32           HB2      TYR  32   4.971   7.219   1.292
  202    HB3  TYR  32           HB3      TYR  32   4.406   7.181  -0.376
  203    HD1  TYR  32           HD1      TYR  32   2.087   6.819  -0.869
  204    HD2  TYR  32           HD2      TYR  32   3.541   6.259   3.086
  205    HE1  TYR  32           HE1      TYR  32  -0.227   6.622  -0.044
  206    HE2  TYR  32           HE2      TYR  32   1.238   6.052   3.916
  207    HH   TYR  32           HH       TYR  32  -1.368   5.496   1.960
  208    H    SER  33           H        SER  33   3.966   3.024   0.408
  209    HA   SER  33           HA       SER  33   3.132   3.187  -2.390
  210    HB2  SER  33           HB2      SER  33   3.769   0.679  -0.793
  211    HB3  SER  33           HB3      SER  33   3.341   0.751  -2.505
  212    HG   SER  33           HG       SER  33   5.511   0.717  -2.582
  213    H    GLN  34           H        GLN  34   0.969   2.819  -2.732
  214    HA   GLN  34           HA       GLN  34  -0.658   2.460  -0.304
  215    HB2  GLN  34           HB2      GLN  34  -0.543   4.790  -0.780
  216    HB3  GLN  34           HB3      GLN  34  -0.900   4.527  -2.479
  217    HG2  GLN  34           HG2      GLN  34  -3.171   3.908  -1.923
  218    HG3  GLN  34           HG3      GLN  34  -2.805   4.045  -0.199
  219   HE21  GLN  34          HE21      GLN  34  -2.727   6.069   0.747
  220   HE22  GLN  34          HE22      GLN  34  -3.135   7.505  -0.096
  221    H    CYS  35           H        CYS  35  -2.519   1.260  -0.530
  222    HA   CYS  35           HA       CYS  35  -2.836  -0.279  -2.915
  223    HB2  CYS  35           HB2      CYS  35  -4.665  -0.061  -0.511
  224    HB3  CYS  35           HB3      CYS  35  -4.693  -1.297  -1.754
  225    H    LEU  36           H        LEU  36  -3.621   0.725  -4.622
  226    HA   LEU  36           HA       LEU  36  -5.822   2.616  -4.350
  227    HB2  LEU  36           HB2      LEU  36  -3.949   2.036  -6.653
  228    HB3  LEU  36           HB3      LEU  36  -5.299   3.143  -6.734
  229    HG   LEU  36           HG       LEU  36  -2.860   3.473  -4.981
  230   HD11  LEU  36          HD11      LEU  36  -2.349   5.340  -6.489
  231   HD12  LEU  36          HD12      LEU  36  -3.735   4.898  -7.487
  232   HD13  LEU  36          HD13      LEU  36  -2.371   3.796  -7.338
  233   HD21  LEU  36          HD21      LEU  36  -3.780   5.706  -4.542
  234   HD22  LEU  36          HD22      LEU  36  -4.841   4.436  -3.946
  235   HD23  LEU  36          HD23      LEU  36  -5.233   5.280  -5.444
  236    H1   MAN 101           H1       MAN 101  10.882  -5.667   7.232
  237    H2   MAN 101           H2       MAN 101   9.894  -4.532   9.533
  238    H3   MAN 101           H3       MAN 101  11.311  -3.126  10.584
  239    H4   MAN 101           H4       MAN 101  12.144  -1.320   9.010
  240    H5   MAN 101           H5       MAN 101  11.222  -2.044   6.526
  241    H61  MAN 101           H61      MAN 101  13.377  -0.924   7.049
  242    H62  MAN 101           H62      MAN 101  13.520  -2.133   5.755
  243    HO2  MAN 101           HO2      MAN 101  11.101  -6.496   9.239
  244    HO3  MAN 101           HO3      MAN 101  12.976  -4.592  10.161
  245    HO4  MAN 101           HO4      MAN 101  10.039  -0.996   8.067
  246    HO6  MAN 101           HO6      MAN 101  13.905  -3.207   8.255
  Start of MODEL   10
    1    H1   THR   1           H1       THR   1  -5.410  -9.079   5.643
    2    H2   THR   1           H2       THR   1  -6.048  -7.790   6.545
    3    H3   THR   1           H3       THR   1  -4.395  -7.845   6.215
    4    HA   THR   1           HA       THR   1  -4.870  -7.634   3.872
    5    HB   THR   1           HB       THR   1  -7.724  -7.231   4.792
    6    HG1  THR   1           HG1      THR   1  -7.786  -9.377   3.489
    7   HG21  THR   1          HG21      THR   1  -7.085  -6.131   2.680
    8   HG22  THR   1          HG22      THR   1  -8.216  -7.454   2.400
    9   HG23  THR   1          HG23      THR   1  -6.499  -7.672   2.059
   10    H    GLN   2           H        GLN   2  -4.162  -5.633   3.424
   11    HA   GLN   2           HA       GLN   2  -4.676  -3.519   5.349
   12    HB2  GLN   2           HB2      GLN   2  -2.350  -4.276   4.326
   13    HB3  GLN   2           HB3      GLN   2  -2.828  -3.281   2.966
   14    HG2  GLN   2           HG2      GLN   2  -2.674  -2.285   5.805
   15    HG3  GLN   2           HG3      GLN   2  -1.327  -2.169   4.690
   16   HE21  GLN   2          HE21      GLN   2  -3.014  -1.549   2.406
   17   HE22  GLN   2          HE22      GLN   2  -3.620   0.033   2.656
   18    H    SER   3           H        SER   3  -5.799  -1.624   4.763
   19    HA   SER   3           HA       SER   3  -7.710  -2.146   2.693
   20    HB2  SER   3           HB2      SER   3  -8.852  -0.182   3.862
   21    HB3  SER   3           HB3      SER   3  -8.669  -1.704   4.738
   22    HG   SER   3           HG       SER   3  -7.224   0.698   5.025
   23    H    HIS   4           H        HIS   4  -8.716  -0.282   1.611
   24    HA   HIS   4           HA       HIS   4  -7.068   0.931  -0.292
   25    HB2  HIS   4           HB2      HIS   4  -9.510   0.403  -0.536
   26    HB3  HIS   4           HB3      HIS   4  -9.861   1.702   0.574
   27    HD1  HIS   4           HD1      HIS   4 -11.023   3.345  -0.857
   28    HD2  HIS   4           HD2      HIS   4  -7.561   1.932  -2.625
   29    HE1  HIS   4           HE1      HIS   4 -10.770   4.658  -2.980
   30    HE2  HIS   4           HE2      HIS   4  -8.917   3.504  -4.175
   31    H    TYR   5           H        TYR   5  -5.993   2.797  -0.332
   32    HA   TYR   5           HA       TYR   5  -5.138   4.770   0.151
   33    HB2  TYR   5           HB2      TYR   5  -7.548   5.100   1.897
   34    HB3  TYR   5           HB3      TYR   5  -6.242   6.276   1.978
   35    HD1  TYR   5           HD1      TYR   5  -5.511   7.182  -0.422
   36    HD2  TYR   5           HD2      TYR   5  -9.305   5.522   0.495
   37    HE1  TYR   5           HE1      TYR   5  -6.484   8.389  -2.328
   38    HE2  TYR   5           HE2      TYR   5 -10.290   6.717  -1.413
   39    HH   TYR   5           HH       TYR   5  -8.411   8.195  -3.814
   40    H    GLY   6           H        GLY   6  -4.924   2.236   1.943
   41    HA2  GLY   6           HA2      GLY   6  -3.339   3.512   4.039
   42    HA3  GLY   6           HA3      GLY   6  -3.776   1.807   3.955
   43    H    GLN   7           H        GLN   7  -1.157   2.742   4.409
   44    HA   GLN   7           HA       GLN   7   0.315   2.605   1.963
   45    HB2  GLN   7           HB2      GLN   7   1.115   3.939   3.900
   46    HB3  GLN   7           HB3      GLN   7   1.245   2.472   4.848
   47    HG2  GLN   7           HG2      GLN   7   3.006   1.650   3.381
   48    HG3  GLN   7           HG3      GLN   7   2.856   3.092   2.380
   49   HE21  GLN   7          HE21      GLN   7   5.062   3.696   2.780
   50   HE22  GLN   7          HE22      GLN   7   5.532   4.294   4.303
   51    H    CYS   8           H        CYS   8   0.597   0.775   0.951
   52    HA   CYS   8           HA       CYS   8  -0.049  -1.736   2.215
   53    HB2  CYS   8           HB2      CYS   8   0.291  -2.667  -0.065
   54    HB3  CYS   8           HB3      CYS   8  -0.922  -1.398   0.048
   55    H    GLY   9           H        GLY   9   2.835  -0.069   1.394
   56    HA2  GLY   9           HA2      GLY   9   4.643  -1.224   2.815
   57    HA3  GLY   9           HA3      GLY   9   4.296  -2.595   1.770
   58    H    GLY  10           H        GLY  10   5.586   0.578   2.026
   59    HA2  GLY  10           HA2      GLY  10   7.013   0.167  -0.491
   60    HA3  GLY  10           HA3      GLY  10   6.859   1.708   0.364
   61    H    ILE  11           H        ILE  11   9.289   1.590   0.144
   62    HA   ILE  11           HA       ILE  11  10.690  -0.248   1.757
   63    HB   ILE  11           HB       ILE  11  11.537   2.562   0.954
   64   HG12  ILE  11          HG12      ILE  11  12.150  -0.100  -0.361
   65   HG13  ILE  11          HG13      ILE  11  10.966   1.053  -0.949
   66   HG21  ILE  11          HG21      ILE  11  13.180   0.203   1.915
   67   HG22  ILE  11          HG22      ILE  11  12.868   1.688   2.817
   68   HG23  ILE  11          HG23      ILE  11  13.833   1.740   1.344
   69   HD11  ILE  11          HD11      ILE  11  12.731   2.676  -1.342
   70   HD12  ILE  11          HD12      ILE  11  13.049   1.164  -2.195
   71   HD13  ILE  11          HD13      ILE  11  13.918   1.541  -0.706
   72    H    GLY  12           H        GLY  12  10.582  -0.456   3.842
   73    HA2  GLY  12           HA2      GLY  12  11.097   0.524   6.009
   74    HA3  GLY  12           HA3      GLY  12  10.168   1.934   5.517
   75    H    TYR  13           H        TYR  13   8.124   0.135   4.235
   76    HA   TYR  13           HA       TYR  13   6.768  -0.515   6.751
   77    HB2  TYR  13           HB2      TYR  13   5.637   1.219   5.379
   78    HB3  TYR  13           HB3      TYR  13   5.500   0.077   4.058
   79    HD1  TYR  13           HD1      TYR  13   4.051   1.258   7.144
   80    HD2  TYR  13           HD2      TYR  13   3.985  -1.997   4.401
   81    HE1  TYR  13           HE1      TYR  13   1.884   0.512   8.056
   82    HE2  TYR  13           HE2      TYR  13   1.848  -2.732   5.290
   83    HH   TYR  13           HH       TYR  13   0.467  -2.514   7.174
   84    H    SER  14           H        SER  14   6.739  -2.537   7.180
   85    HA   SER  14           HA       SER  14   6.368  -4.496   5.050
   86    HB2  SER  14           HB2      SER  14   8.286  -4.578   7.411
   87    HB3  SER  14           HB3      SER  14   7.735  -6.056   6.633
   88    H    GLY  15           H        GLY  15   5.314  -6.527   5.933
   89    HA2  GLY  15           HA2      GLY  15   4.085  -7.460   7.813
   90    HA3  GLY  15           HA3      GLY  15   3.587  -5.814   8.192
   91    HA   PRO  16           HA       PRO  16  -0.069  -7.021   5.878
   92    HB2  PRO  16           HB2      PRO  16  -0.847  -4.187   6.236
   93    HB3  PRO  16           HB3      PRO  16  -1.707  -5.645   6.741
   94    HG2  PRO  16           HG2      PRO  16  -0.514  -4.092   8.537
   95    HG3  PRO  16           HG3      PRO  16  -0.465  -5.857   8.692
   96    HD2  PRO  16           HD2      PRO  16   1.609  -3.997   7.597
   97    HD3  PRO  16           HD3      PRO  16   1.809  -5.323   8.785
   98    H    THR  17           H        THR  17   0.770  -7.268   3.877
   99    HA   THR  17           HA       THR  17   1.259  -4.873   2.273
  100    HB   THR  17           HB       THR  17   2.590  -6.549   0.849
  101    HG1  THR  17           HG1      THR  17   2.677  -7.988   3.282
  102   HG21  THR  17          HG21      THR  17   3.505  -5.925   3.671
  103   HG22  THR  17          HG22      THR  17   3.642  -4.838   2.298
  104   HG23  THR  17          HG23      THR  17   4.564  -6.345   2.324
  105    H    VAL  18           H        VAL  18  -0.719  -7.623   2.627
  106    HA   VAL  18           HA       VAL  18  -1.567  -7.775  -0.117
  107    HB   VAL  18           HB       VAL  18  -2.750  -9.039   2.381
  108   HG11  VAL  18          HG11      VAL  18  -3.284  -9.647  -0.521
  109   HG12  VAL  18          HG12      VAL  18  -4.404  -8.876   0.597
  110   HG13  VAL  18          HG13      VAL  18  -3.923 -10.558   0.848
  111   HG21  VAL  18          HG21      VAL  18  -1.645 -11.093   1.634
  112   HG22  VAL  18          HG22      VAL  18  -0.467  -9.808   1.923
  113   HG23  VAL  18          HG23      VAL  18  -0.938 -10.223   0.274
  114    H    CYS  19           H        CYS  19  -2.825  -6.254  -0.939
  115    HA   CYS  19           HA       CYS  19  -4.480  -4.603   0.754
  116    HB2  CYS  19           HB2      CYS  19  -4.198  -4.574  -2.279
  117    HB3  CYS  19           HB3      CYS  19  -5.003  -3.360  -1.290
  118    H    ALA  20           H        ALA  20  -6.774  -4.231   0.099
  119    HA   ALA  20           HA       ALA  20  -8.193  -6.677   0.137
  120    HB1  ALA  20           HB1      ALA  20  -9.177  -3.870  -0.323
  121    HB2  ALA  20           HB2      ALA  20  -9.018  -4.666   1.241
  122    HB3  ALA  20           HB3      ALA  20 -10.187  -5.263   0.060
  123    H    SER  21           H        SER  21  -9.737  -7.435  -1.467
  124    HA   SER  21           HA       SER  21  -8.743  -7.447  -4.056
  125    HB2  SER  21           HB2      SER  21 -11.100  -8.492  -4.433
  126    HB3  SER  21           HB3      SER  21  -9.940  -9.338  -3.404
  127    HG   SER  21           HG       SER  21 -12.015  -9.175  -2.469
  128    H    GLY  22           H        GLY  22  -8.922  -5.976  -5.584
  129    HA2  GLY  22           HA2      GLY  22 -10.325  -4.590  -6.960
  130    HA3  GLY  22           HA3      GLY  22 -11.203  -4.130  -5.505
  131    H    THR  23           H        THR  23  -8.182  -4.211  -4.446
  132    HA   THR  23           HA       THR  23  -7.559  -1.500  -5.370
  133    HB   THR  23           HB       THR  23  -6.613  -0.983  -3.126
  134    HG1  THR  23           HG1      THR  23  -7.377  -3.636  -2.634
  135   HG21  THR  23          HG21      THR  23  -8.911  -0.323  -3.574
  136   HG22  THR  23          HG22      THR  23  -8.715  -0.803  -1.886
  137   HG23  THR  23          HG23      THR  23  -9.484  -1.901  -3.031
  138    H    THR  24           H        THR  24  -5.311  -1.071  -5.623
  139    HA   THR  24           HA       THR  24  -3.712  -3.526  -5.591
  140    HB   THR  24           HB       THR  24  -2.503  -2.535  -7.558
  141    HG1  THR  24           HG1      THR  24  -4.419  -0.541  -7.114
  142   HG21  THR  24          HG21      THR  24  -4.184  -4.289  -7.837
  143   HG22  THR  24          HG22      THR  24  -4.231  -3.147  -9.185
  144   HG23  THR  24          HG23      THR  24  -5.442  -3.060  -7.905
  145    H    CYS  25           H        CYS  25  -1.768  -3.410  -4.663
  146    HA   CYS  25           HA       CYS  25  -0.993  -1.087  -3.236
  147    HB2  CYS  25           HB2      CYS  25  -0.331  -3.337  -2.474
  148    HB3  CYS  25           HB3      CYS  25   0.602  -3.567  -3.951
  149    H    GLN  26           H        GLN  26  -0.538   0.668  -4.400
  150    HA   GLN  26           HA       GLN  26   1.193   0.324  -6.703
  151    HB2  GLN  26           HB2      GLN  26  -0.922   2.401  -6.150
  152    HB3  GLN  26           HB3      GLN  26   0.274   2.578  -7.430
  153    HG2  GLN  26           HG2      GLN  26  -0.513   0.509  -8.468
  154    HG3  GLN  26           HG3      GLN  26  -1.704   0.318  -7.186
  155   HE21  GLN  26          HE21      GLN  26  -3.569   1.509  -7.268
  156   HE22  GLN  26          HE22      GLN  26  -4.030   2.486  -8.591
  157    H    VAL  27           H        VAL  27   3.037   1.234  -6.788
  158    HA   VAL  27           HA       VAL  27   4.124   2.475  -4.429
  159    HB   VAL  27           HB       VAL  27   5.418   1.865  -7.110
  160   HG11  VAL  27          HG11      VAL  27   7.556   2.040  -5.911
  161   HG12  VAL  27          HG12      VAL  27   6.683   2.537  -4.460
  162   HG13  VAL  27          HG13      VAL  27   6.657   3.559  -5.898
  163   HG21  VAL  27          HG21      VAL  27   5.457   0.273  -4.547
  164   HG22  VAL  27          HG22      VAL  27   6.381  -0.104  -6.002
  165   HG23  VAL  27          HG23      VAL  27   4.619  -0.167  -6.034
  166    H    LEU  28           H        LEU  28   3.782   4.558  -4.150
  167    HA   LEU  28           HA       LEU  28   3.472   6.301  -6.483
  168    HB2  LEU  28           HB2      LEU  28   2.835   6.761  -3.575
  169    HB3  LEU  28           HB3      LEU  28   2.520   7.915  -4.856
  170    HG   LEU  28           HG       LEU  28   1.232   5.187  -4.608
  171   HD11  LEU  28          HD11      LEU  28   0.464   6.669  -2.874
  172   HD12  LEU  28          HD12      LEU  28  -0.806   6.440  -4.072
  173   HD13  LEU  28          HD13      LEU  28   0.134   7.936  -4.055
  174   HD21  LEU  28          HD21      LEU  28  -0.259   5.983  -6.388
  175   HD22  LEU  28          HD22      LEU  28   1.420   5.908  -6.928
  176   HD23  LEU  28          HD23      LEU  28   0.694   7.461  -6.510
  177    H    ASN  29           H        ASN  29   5.466   5.667  -3.728
  178    HA   ASN  29           HA       ASN  29   7.566   7.365  -4.783
  179    HB2  ASN  29           HB2      ASN  29   6.661   7.463  -1.854
  180    HB3  ASN  29           HB3      ASN  29   8.133   8.155  -2.477
  181   HD21  ASN  29          HD21      ASN  29   4.699   8.510  -2.277
  182   HD22  ASN  29          HD22      ASN  29   4.639  10.131  -2.854
  183    HA   PRO  30           HA       PRO  30   9.937   3.769  -3.749
  184    HB2  PRO  30           HB2      PRO  30  11.629   5.348  -1.864
  185    HB3  PRO  30           HB3      PRO  30  12.127   4.297  -3.195
  186    HG2  PRO  30           HG2      PRO  30  12.230   6.926  -3.480
  187    HG3  PRO  30           HG3      PRO  30  11.649   5.908  -4.812
  188    HD2  PRO  30           HD2      PRO  30  10.094   7.585  -2.884
  189    HD3  PRO  30           HD3      PRO  30   9.822   7.340  -4.621
  190    H    TYR  31           H        TYR  31   9.248   5.790  -0.935
  191    HA   TYR  31           HA       TYR  31   9.172   3.379   0.747
  192    HB2  TYR  31           HB2      TYR  31   8.901   6.266   1.603
  193    HB3  TYR  31           HB3      TYR  31   9.203   4.875   2.626
  194    HD1  TYR  31           HD1      TYR  31  11.441   4.044   2.947
  195    HD2  TYR  31           HD2      TYR  31  10.691   7.135   0.130
  196    HE1  TYR  31           HE1      TYR  31  13.857   4.489   2.790
  197    HE2  TYR  31           HE2      TYR  31  13.091   7.582  -0.039
  198    HH   TYR  31           HH       TYR  31  15.400   5.474   1.076
  199    H    TYR  32           H        TYR  32   7.144   5.833  -0.674
  200    HA   TYR  32           HA       TYR  32   4.905   4.995   0.976
  201    HB2  TYR  32           HB2      TYR  32   5.342   7.444   0.613
  202    HB3  TYR  32           HB3      TYR  32   4.928   7.186  -1.077
  203    HD1  TYR  32           HD1      TYR  32   3.516   6.672   2.324
  204    HD2  TYR  32           HD2      TYR  32   2.753   7.513  -1.774
  205    HE1  TYR  32           HE1      TYR  32   1.148   7.071   2.843
  206    HE2  TYR  32           HE2      TYR  32   0.386   7.901  -1.255
  207    HH   TYR  32           HH       TYR  32  -1.209   7.326   0.419
  208    H    SER  33           H        SER  33   3.788   3.338   0.317
  209    HA   SER  33           HA       SER  33   2.989   3.208  -2.483
  210    HB2  SER  33           HB2      SER  33   3.691   0.837  -0.709
  211    HB3  SER  33           HB3      SER  33   3.211   0.770  -2.405
  212    HG   SER  33           HG       SER  33   5.424   0.664  -2.389
  213    H    GLN  34           H        GLN  34   0.803   2.867  -2.653
  214    HA   GLN  34           HA       GLN  34  -0.663   2.473  -0.137
  215    HB2  GLN  34           HB2      GLN  34  -0.622   4.825  -0.412
  216    HB3  GLN  34           HB3      GLN  34  -0.969   4.741  -2.120
  217    HG2  GLN  34           HG2      GLN  34  -3.246   3.989  -1.605
  218    HG3  GLN  34           HG3      GLN  34  -2.868   4.051   0.115
  219   HE21  GLN  34          HE21      GLN  34  -2.825   6.022   1.152
  220   HE22  GLN  34          HE22      GLN  34  -3.346   7.474   0.391
  221    H    CYS  35           H        CYS  35  -2.605   1.322  -0.291
  222    HA   CYS  35           HA       CYS  35  -3.031  -0.156  -2.689
  223    HB2  CYS  35           HB2      CYS  35  -4.849  -0.004  -0.258
  224    HB3  CYS  35           HB3      CYS  35  -4.842  -1.195  -1.530
  225    H    LEU  36           H        LEU  36  -3.767   0.941  -4.324
  226    HA   LEU  36           HA       LEU  36  -6.138   2.599  -3.991
  227    HB2  LEU  36           HB2      LEU  36  -3.897   2.775  -5.999
  228    HB3  LEU  36           HB3      LEU  36  -5.419   3.617  -6.192
  229    HG   LEU  36           HG       LEU  36  -3.484   4.048  -3.910
  230   HD11  LEU  36          HD11      LEU  36  -3.001   6.174  -5.014
  231   HD12  LEU  36          HD12      LEU  36  -4.047   5.719  -6.358
  232   HD13  LEU  36          HD13      LEU  36  -2.568   4.812  -6.047
  233   HD21  LEU  36          HD21      LEU  36  -6.002   5.493  -4.732
  234   HD22  LEU  36          HD22      LEU  36  -4.891   6.020  -3.473
  235   HD23  LEU  36          HD23      LEU  36  -5.789   4.520  -3.275
  236    H1   MAN 101           H1       MAN 101   8.269  -3.098   4.777
  237    H2   MAN 101           H2       MAN 101   9.777  -4.206   3.130
  238    H3   MAN 101           H3       MAN 101  11.628  -4.827   4.557
  239    H4   MAN 101           H4       MAN 101  11.958  -1.821   5.003
  240    H5   MAN 101           H5       MAN 101  11.059  -4.061   6.915
  241    H61  MAN 101           H61      MAN 101  11.647  -1.099   7.265
  242    H62  MAN 101           H62      MAN 101  12.351  -2.446   8.181
  243    HO2  MAN 101           HO2      MAN 101   9.144  -1.982   3.068
  244    HO3  MAN 101           HO3      MAN 101  13.304  -3.858   3.345
  245    HO4  MAN 101           HO4      MAN 101  13.948  -2.993   4.979
  246    HO6  MAN 101           HO6      MAN 101   9.737  -1.370   8.257
  Start of MODEL   11
    1    H1   THR   1           H1       THR   1  -4.647  -8.006   5.795
    2    H2   THR   1           H2       THR   1  -5.912  -9.118   5.504
    3    H3   THR   1           H3       THR   1  -6.176  -7.745   6.458
    4    HA   THR   1           HA       THR   1  -5.503  -7.687   3.625
    5    HB   THR   1           HB       THR   1  -8.161  -7.260   5.029
    6    HG1  THR   1           HG1      THR   1  -7.450  -9.321   3.202
    7   HG21  THR   1          HG21      THR   1  -7.885  -5.872   3.043
    8   HG22  THR   1          HG22      THR   1  -9.055  -7.160   2.730
    9   HG23  THR   1          HG23      THR   1  -7.404  -7.290   2.113
   10    H    GLN   2           H        GLN   2  -4.590  -5.771   3.178
   11    HA   GLN   2           HA       GLN   2  -4.684  -3.648   5.127
   12    HB2  GLN   2           HB2      GLN   2  -2.723  -4.548   3.507
   13    HB3  GLN   2           HB3      GLN   2  -3.402  -3.324   2.451
   14    HG2  GLN   2           HG2      GLN   2  -2.280  -2.869   5.219
   15    HG3  GLN   2           HG3      GLN   2  -1.493  -2.467   3.700
   16   HE21  GLN   2          HE21      GLN   2  -2.396  -0.837   2.462
   17   HE22  GLN   2          HE22      GLN   2  -3.388   0.388   3.167
   18    H    SER   3           H        SER   3  -5.478  -1.553   4.619
   19    HA   SER   3           HA       SER   3  -7.924  -1.697   3.096
   20    HB2  SER   3           HB2      SER   3  -6.892   0.368   5.017
   21    HB3  SER   3           HB3      SER   3  -8.542   0.266   4.384
   22    HG   SER   3           HG       SER   3  -8.902  -1.490   5.540
   23    H    HIS   4           H        HIS   4  -8.630   0.045   1.811
   24    HA   HIS   4           HA       HIS   4  -6.929   0.945  -0.234
   25    HB2  HIS   4           HB2      HIS   4  -9.392   0.608  -0.418
   26    HB3  HIS   4           HB3      HIS   4  -9.638   1.980   0.642
   27    HD1  HIS   4           HD1      HIS   4 -10.395   3.928  -0.629
   28    HD2  HIS   4           HD2      HIS   4  -7.741   1.632  -2.836
   29    HE1  HIS   4           HE1      HIS   4 -10.312   4.992  -2.895
   30    HE2  HIS   4           HE2      HIS   4  -8.990   3.359  -4.269
   31    H    TYR   5           H        TYR   5  -5.726   2.758  -0.427
   32    HA   TYR   5           HA       TYR   5  -4.711   4.652  -0.031
   33    HB2  TYR   5           HB2      TYR   5  -7.294   5.312   1.239
   34    HB3  TYR   5           HB3      TYR   5  -5.930   6.351   1.671
   35    HD1  TYR   5           HD1      TYR   5  -7.387   4.777  -1.377
   36    HD2  TYR   5           HD2      TYR   5  -5.622   8.230   0.343
   37    HE1  TYR   5           HE1      TYR   5  -7.628   5.945  -3.504
   38    HE2  TYR   5           HE2      TYR   5  -5.858   9.422  -1.798
   39    HH   TYR   5           HH       TYR   5  -6.091   8.899  -4.186
   40    H    GLY   6           H        GLY   6  -4.685   2.345   2.013
   41    HA2  GLY   6           HA2      GLY   6  -3.086   3.769   3.998
   42    HA3  GLY   6           HA3      GLY   6  -3.547   2.067   4.075
   43    H    GLN   7           H        GLN   7  -0.914   2.844   4.502
   44    HA   GLN   7           HA       GLN   7   0.566   2.511   2.062
   45    HB2  GLN   7           HB2      GLN   7   1.460   3.901   3.926
   46    HB3  GLN   7           HB3      GLN   7   1.539   2.471   4.940
   47    HG2  GLN   7           HG2      GLN   7   3.220   1.495   3.456
   48    HG3  GLN   7           HG3      GLN   7   3.131   2.899   2.400
   49   HE21  GLN   7          HE21      GLN   7   5.392   3.435   2.714
   50   HE22  GLN   7          HE22      GLN   7   5.934   4.033   4.211
   51    H    CYS   8           H        CYS   8   0.664   0.652   1.126
   52    HA   CYS   8           HA       CYS   8   0.056  -1.785   2.535
   53    HB2  CYS   8           HB2      CYS   8   0.312  -2.803   0.243
   54    HB3  CYS   8           HB3      CYS   8  -0.946  -1.583   0.423
   55    H    GLY   9           H        GLY   9   2.923  -0.353   1.092
   56    HA2  GLY   9           HA2      GLY   9   4.737  -1.659   2.641
   57    HA3  GLY   9           HA3      GLY   9   4.388  -2.805   1.357
   58    H    GLY  10           H        GLY  10   5.619   0.349   2.099
   59    HA2  GLY  10           HA2      GLY  10   7.096   0.283  -0.435
   60    HA3  GLY  10           HA3      GLY  10   6.730   1.758   0.477
   61    H    ILE  11           H        ILE  11   9.253   1.723   0.140
   62    HA   ILE  11           HA       ILE  11  10.766   0.057   1.831
   63    HB   ILE  11           HB       ILE  11  11.416   2.898   0.934
   64   HG12  ILE  11          HG12      ILE  11  12.193   0.255  -0.320
   65   HG13  ILE  11          HG13      ILE  11  10.924   1.311  -0.926
   66   HG21  ILE  11          HG21      ILE  11  12.817   2.146   2.799
   67   HG22  ILE  11          HG22      ILE  11  13.760   2.252   1.310
   68   HG23  ILE  11          HG23      ILE  11  13.230   0.681   1.909
   69   HD11  ILE  11          HD11      ILE  11  12.578   3.050  -1.362
   70   HD12  ILE  11          HD12      ILE  11  12.980   1.553  -2.206
   71   HD13  ILE  11          HD13      ILE  11  13.847   2.000  -0.737
   72    H    GLY  12           H        GLY  12  10.888   0.004   3.982
   73    HA2  GLY  12           HA2      GLY  12  11.102   1.085   6.095
   74    HA3  GLY  12           HA3      GLY  12  10.121   2.412   5.483
   75    H    TYR  13           H        TYR  13   8.541  -0.136   4.308
   76    HA   TYR  13           HA       TYR  13   6.999  -0.598   6.771
   77    HB2  TYR  13           HB2      TYR  13   5.855   0.946   5.135
   78    HB3  TYR  13           HB3      TYR  13   5.875  -0.361   3.964
   79    HD1  TYR  13           HD1      TYR  13   4.504  -2.494   4.520
   80    HD2  TYR  13           HD2      TYR  13   4.131   1.133   6.708
   81    HE1  TYR  13           HE1      TYR  13   2.309  -3.227   5.353
   82    HE2  TYR  13           HE2      TYR  13   1.947   0.402   7.553
   83    HH   TYR  13           HH       TYR  13   0.153  -1.136   6.709
   84    H    SER  14           H        SER  14   6.530  -2.662   7.181
   85    HA   SER  14           HA       SER  14   6.585  -4.705   5.169
   86    HB2  SER  14           HB2      SER  14   8.490  -4.656   7.522
   87    HB3  SER  14           HB3      SER  14   8.104  -6.129   6.638
   88    H    GLY  15           H        GLY  15   4.559  -5.291   5.493
   89    HA2  GLY  15           HA2      GLY  15   3.812  -6.623   7.870
   90    HA3  GLY  15           HA3      GLY  15   3.053  -5.031   7.737
   91    HA   PRO  16           HA       PRO  16   0.153  -7.604   5.391
   92    HB2  PRO  16           HB2      PRO  16  -1.569  -5.233   5.649
   93    HB3  PRO  16           HB3      PRO  16  -1.882  -6.887   6.179
   94    HG2  PRO  16           HG2      PRO  16  -1.401  -4.907   7.930
   95    HG3  PRO  16           HG3      PRO  16  -0.847  -6.566   8.213
   96    HD2  PRO  16           HD2      PRO  16   0.701  -4.195   7.230
   97    HD3  PRO  16           HD3      PRO  16   1.163  -5.441   8.411
   98    H    THR  17           H        THR  17   1.163  -7.501   3.410
   99    HA   THR  17           HA       THR  17   1.103  -5.008   1.964
  100    HB   THR  17           HB       THR  17   2.371  -6.395   0.241
  101    HG1  THR  17           HG1      THR  17   3.112  -8.176   2.209
  102   HG21  THR  17          HG21      THR  17   3.534  -6.095   3.019
  103   HG22  THR  17          HG22      THR  17   3.503  -4.847   1.770
  104   HG23  THR  17          HG23      THR  17   4.467  -6.305   1.539
  105    H    VAL  18           H        VAL  18  -0.711  -7.839   2.268
  106    HA   VAL  18           HA       VAL  18  -1.838  -7.881  -0.376
  107    HB   VAL  18           HB       VAL  18  -2.970  -9.138   2.142
  108   HG11  VAL  18          HG11      VAL  18  -4.136 -10.655   0.594
  109   HG12  VAL  18          HG12      VAL  18  -3.496  -9.739  -0.769
  110   HG13  VAL  18          HG13      VAL  18  -4.609  -8.971   0.360
  111   HG21  VAL  18          HG21      VAL  18  -1.141 -10.351   0.068
  112   HG22  VAL  18          HG22      VAL  18  -1.885 -11.218   1.409
  113   HG23  VAL  18          HG23      VAL  18  -0.699  -9.950   1.727
  114    H    CYS  19           H        CYS  19  -3.032  -6.251  -1.038
  115    HA   CYS  19           HA       CYS  19  -4.582  -4.652   0.810
  116    HB2  CYS  19           HB2      CYS  19  -4.293  -4.439  -2.198
  117    HB3  CYS  19           HB3      CYS  19  -5.078  -3.264  -1.150
  118    H    ALA  20           H        ALA  20  -6.848  -4.224   0.444
  119    HA   ALA  20           HA       ALA  20  -8.475  -6.451   0.297
  120    HB1  ALA  20           HB1      ALA  20  -9.115  -4.335   1.357
  121    HB2  ALA  20           HB2      ALA  20 -10.343  -4.894   0.219
  122    HB3  ALA  20           HB3      ALA  20  -9.255  -3.584  -0.235
  123    H    SER  21           H        SER  21 -10.028  -7.093  -1.221
  124    HA   SER  21           HA       SER  21  -9.033  -7.441  -3.797
  125    HB2  SER  21           HB2      SER  21 -11.842  -7.834  -2.768
  126    HB3  SER  21           HB3      SER  21 -11.197  -8.483  -4.280
  127    HG   SER  21           HG       SER  21  -9.961  -9.009  -1.790
  128    H    GLY  22           H        GLY  22  -8.835  -6.001  -5.308
  129    HA2  GLY  22           HA2      GLY  22  -9.993  -4.713  -7.005
  130    HA3  GLY  22           HA3      GLY  22 -11.010  -4.075  -5.714
  131    H    THR  23           H        THR  23  -8.290  -4.121  -4.143
  132    HA   THR  23           HA       THR  23  -7.433  -1.547  -5.240
  133    HB   THR  23           HB       THR  23  -6.690  -0.895  -2.975
  134    HG1  THR  23           HG1      THR  23  -7.361  -3.552  -2.409
  135   HG21  THR  23          HG21      THR  23  -9.528  -1.904  -3.003
  136   HG22  THR  23          HG22      THR  23  -8.973  -0.331  -3.583
  137   HG23  THR  23          HG23      THR  23  -8.877  -0.725  -1.867
  138    H    THR  24           H        THR  24  -5.301  -1.271  -5.637
  139    HA   THR  24           HA       THR  24  -3.708  -3.705  -5.357
  140    HB   THR  24           HB       THR  24  -2.496  -2.878  -7.426
  141    HG1  THR  24           HG1      THR  24  -4.511  -0.942  -7.191
  142   HG21  THR  24          HG21      THR  24  -4.229  -3.751  -8.964
  143   HG22  THR  24          HG22      THR  24  -5.430  -3.590  -7.683
  144   HG23  THR  24          HG23      THR  24  -4.099  -4.733  -7.506
  145    H    CYS  25           H        CYS  25  -1.701  -3.538  -4.564
  146    HA   CYS  25           HA       CYS  25  -0.956  -1.167  -3.180
  147    HB2  CYS  25           HB2      CYS  25  -0.378  -3.424  -2.328
  148    HB3  CYS  25           HB3      CYS  25   0.645  -3.687  -3.737
  149    H    GLN  26           H        GLN  26  -0.377   0.535  -4.344
  150    HA   GLN  26           HA       GLN  26   1.458   0.070  -6.568
  151    HB2  GLN  26           HB2      GLN  26  -0.477   2.350  -6.157
  152    HB3  GLN  26           HB3      GLN  26   0.649   2.204  -7.493
  153    HG2  GLN  26           HG2      GLN  26  -0.494   0.085  -8.136
  154    HG3  GLN  26           HG3      GLN  26  -1.690   0.417  -6.888
  155   HE21  GLN  26          HE21      GLN  26  -3.336   0.535  -8.381
  156   HE22  GLN  26          HE22      GLN  26  -3.534   1.875  -9.441
  157    H    VAL  27           H        VAL  27   3.387   0.787  -6.357
  158    HA   VAL  27           HA       VAL  27   4.231   2.265  -4.091
  159    HB   VAL  27           HB       VAL  27   5.690   1.614  -6.687
  160   HG11  VAL  27          HG11      VAL  27   7.752   2.004  -5.434
  161   HG12  VAL  27          HG12      VAL  27   6.808   2.471  -4.019
  162   HG13  VAL  27          HG13      VAL  27   6.754   3.460  -5.476
  163   HG21  VAL  27          HG21      VAL  27   5.738   0.202  -4.028
  164   HG22  VAL  27          HG22      VAL  27   6.675  -0.245  -5.458
  165   HG23  VAL  27          HG23      VAL  27   4.915  -0.362  -5.476
  166    H    LEU  28           H        LEU  28   3.541   4.267  -3.936
  167    HA   LEU  28           HA       LEU  28   2.939   5.888  -6.260
  168    HB2  LEU  28           HB2      LEU  28   1.637   5.680  -3.974
  169    HB3  LEU  28           HB3      LEU  28   2.862   6.758  -3.382
  170    HG   LEU  28           HG       LEU  28   1.039   7.494  -5.675
  171   HD11  LEU  28          HD11      LEU  28  -0.303   7.050  -3.696
  172   HD12  LEU  28          HD12      LEU  28  -0.243   8.779  -4.039
  173   HD13  LEU  28          HD13      LEU  28   0.739   8.105  -2.740
  174   HD21  LEU  28          HD21      LEU  28   3.108   8.803  -5.498
  175   HD22  LEU  28          HD22      LEU  28   2.723   9.191  -3.823
  176   HD23  LEU  28          HD23      LEU  28   1.688   9.775  -5.127
  177    H    ASN  29           H        ASN  29   5.091   5.818  -3.515
  178    HA   ASN  29           HA       ASN  29   7.030   7.558  -4.848
  179    HB2  ASN  29           HB2      ASN  29   6.246   7.621  -1.899
  180    HB3  ASN  29           HB3      ASN  29   7.568   8.516  -2.620
  181   HD21  ASN  29          HD21      ASN  29   5.244   9.412  -1.115
  182   HD22  ASN  29          HD22      ASN  29   4.452  10.559  -2.128
  183    HA   PRO  30           HA       PRO  30   9.871   4.287  -3.852
  184    HB2  PRO  30           HB2      PRO  30  11.354   6.138  -2.032
  185    HB3  PRO  30           HB3      PRO  30  11.984   5.086  -3.303
  186    HG2  PRO  30           HG2      PRO  30  11.764   7.651  -3.798
  187    HG3  PRO  30           HG3      PRO  30  11.200   6.490  -5.012
  188    HD2  PRO  30           HD2      PRO  30   9.598   8.101  -3.064
  189    HD3  PRO  30           HD3      PRO  30   9.271   7.774  -4.779
  190    H    TYR  31           H        TYR  31   9.101   6.184  -0.897
  191    HA   TYR  31           HA       TYR  31   9.356   3.682   0.620
  192    HB2  TYR  31           HB2      TYR  31   8.794   6.444   1.740
  193    HB3  TYR  31           HB3      TYR  31   9.317   5.019   2.604
  194    HD1  TYR  31           HD1      TYR  31  11.676   4.348   2.602
  195    HD2  TYR  31           HD2      TYR  31  10.377   7.784   0.466
  196    HE1  TYR  31           HE1      TYR  31  14.010   5.122   2.411
  197    HE2  TYR  31           HE2      TYR  31  12.682   8.552   0.267
  198    HH   TYR  31           HH       TYR  31  14.754   8.296   1.257
  199    H    TYR  32           H        TYR  32   7.035   5.955  -0.581
  200    HA   TYR  32           HA       TYR  32   4.945   4.849   1.112
  201    HB2  TYR  32           HB2      TYR  32   5.214   7.346   0.760
  202    HB3  TYR  32           HB3      TYR  32   4.653   7.058  -0.885
  203    HD1  TYR  32           HD1      TYR  32   2.420   7.213  -1.361
  204    HD2  TYR  32           HD2      TYR  32   3.615   6.447   2.644
  205    HE1  TYR  32           HE1      TYR  32   0.103   7.433  -0.635
  206    HE2  TYR  32           HE2      TYR  32   1.283   6.677   3.390
  207    HH   TYR  32           HH       TYR  32  -1.279   7.018   1.042
  208    H    SER  33           H        SER  33   3.966   3.077   0.424
  209    HA   SER  33           HA       SER  33   3.106   2.994  -2.376
  210    HB2  SER  33           HB2      SER  33   3.638   0.646  -0.526
  211    HB3  SER  33           HB3      SER  33   3.124   0.540  -2.209
  212    HG   SER  33           HG       SER  33   5.435   0.283  -1.750
  213    H    GLN  34           H        GLN  34   0.912   2.575  -2.660
  214    HA   GLN  34           HA       GLN  34  -0.667   2.473  -0.197
  215    HB2  GLN  34           HB2      GLN  34  -0.472   4.796  -0.695
  216    HB3  GLN  34           HB3      GLN  34  -0.807   4.532  -2.392
  217    HG2  GLN  34           HG2      GLN  34  -3.102   4.022  -1.904
  218    HG3  GLN  34           HG3      GLN  34  -2.766   4.094  -0.171
  219   HE21  GLN  34          HE21      GLN  34  -2.718   6.049   0.846
  220   HE22  GLN  34          HE22      GLN  34  -3.012   7.542   0.010
  221    H    CYS  35           H        CYS  35  -2.592   1.345  -0.358
  222    HA   CYS  35           HA       CYS  35  -3.001  -0.256  -2.674
  223    HB2  CYS  35           HB2      CYS  35  -4.849   0.129  -0.310
  224    HB3  CYS  35           HB3      CYS  35  -4.874  -1.163  -1.486
  225    H    LEU  36           H        LEU  36  -3.677   0.736  -4.406
  226    HA   LEU  36           HA       LEU  36  -5.887   2.646  -4.273
  227    HB2  LEU  36           HB2      LEU  36  -3.799   2.157  -6.405
  228    HB3  LEU  36           HB3      LEU  36  -5.140   3.271  -6.566
  229    HG   LEU  36           HG       LEU  36  -2.923   3.529  -4.526
  230   HD11  LEU  36          HD11      LEU  36  -3.407   5.032  -7.089
  231   HD12  LEU  36          HD12      LEU  36  -2.101   3.881  -6.799
  232   HD13  LEU  36          HD13      LEU  36  -2.160   5.395  -5.899
  233   HD21  LEU  36          HD21      LEU  36  -5.019   4.511  -3.777
  234   HD22  LEU  36          HD22      LEU  36  -5.171   5.382  -5.302
  235   HD23  LEU  36          HD23      LEU  36  -3.859   5.773  -4.192
  236    H1   MAN 101           H1       MAN 101  10.544  -6.020   6.390
  237    H2   MAN 101           H2       MAN 101  10.342  -3.835   7.763
  238    H3   MAN 101           H3       MAN 101  10.036  -2.305   5.843
  239    H4   MAN 101           H4       MAN 101  12.937  -2.987   5.232
  240    H5   MAN 101           H5       MAN 101  10.372  -3.625   3.677
  241    H61  MAN 101           H61      MAN 101  11.910  -4.979   2.270
  242    H62  MAN 101           H62      MAN 101  13.302  -4.365   3.191
  243    HO2  MAN 101           HO2      MAN 101  12.632  -3.469   7.781
  244    HO3  MAN 101           HO3      MAN 101  11.775  -0.863   6.422
  245    HO4  MAN 101           HO4      MAN 101  12.440  -1.681   3.445
  246    HO6  MAN 101           HO6      MAN 101  11.512  -2.883   1.547
  Start of MODEL   12
    1    H1   THR   1           H1       THR   1  -6.500  -8.163   6.247
    2    H2   THR   1           H2       THR   1  -4.809  -8.132   6.253
    3    H3   THR   1           H3       THR   1  -5.631  -9.440   5.524
    4    HA   THR   1           HA       THR   1  -4.789  -7.965   3.876
    5    HB   THR   1           HB       THR   1  -7.791  -7.611   4.163
    6    HG1  THR   1           HG1      THR   1  -7.142  -9.806   2.758
    7   HG21  THR   1          HG21      THR   1  -6.005  -8.061   1.768
    8   HG22  THR   1          HG22      THR   1  -6.716  -6.517   2.241
    9   HG23  THR   1          HG23      THR   1  -7.753  -7.846   1.732
   10    H    GLN   2           H        GLN   2  -4.545  -5.780   3.143
   11    HA   GLN   2           HA       GLN   2  -4.977  -3.765   5.199
   12    HB2  GLN   2           HB2      GLN   2  -2.858  -4.289   3.603
   13    HB3  GLN   2           HB3      GLN   2  -3.709  -3.185   2.549
   14    HG2  GLN   2           HG2      GLN   2  -2.770  -2.558   5.352
   15    HG3  GLN   2           HG3      GLN   2  -1.966  -2.067   3.866
   16   HE21  GLN   2          HE21      GLN   2  -2.947  -0.521   2.604
   17   HE22  GLN   2          HE22      GLN   2  -4.160   0.540   3.226
   18    H    SER   3           H        SER   3  -6.041  -1.715   4.577
   19    HA   SER   3           HA       SER   3  -8.366  -2.237   2.902
   20    HB2  SER   3           HB2      SER   3  -7.798   0.012   4.838
   21    HB3  SER   3           HB3      SER   3  -9.340  -0.322   4.049
   22    HG   SER   3           HG       SER   3  -8.114  -2.372   5.486
   23    H    HIS   4           H        HIS   4  -9.229  -0.189   1.825
   24    HA   HIS   4           HA       HIS   4  -7.415   0.681  -0.190
   25    HB2  HIS   4           HB2      HIS   4  -9.904   0.235  -0.452
   26    HB3  HIS   4           HB3      HIS   4 -10.196   1.708   0.447
   27    HD1  HIS   4           HD1      HIS   4 -11.549   2.395  -1.770
   28    HD2  HIS   4           HD2      HIS   4  -7.428   2.115  -2.182
   29    HE1  HIS   4           HE1      HIS   4 -11.004   3.482  -3.954
   30    HE2  HIS   4           HE2      HIS   4  -8.571   3.057  -4.277
   31    H    TYR   5           H        TYR   5  -6.324   2.580  -0.341
   32    HA   TYR   5           HA       TYR   5  -5.354   4.498   0.134
   33    HB2  TYR   5           HB2      TYR   5  -7.830   5.186   1.724
   34    HB3  TYR   5           HB3      TYR   5  -6.523   6.311   1.396
   35    HD1  TYR   5           HD1      TYR   5  -9.673   5.221   0.362
   36    HD2  TYR   5           HD2      TYR   5  -5.947   6.550  -1.182
   37    HE1  TYR   5           HE1      TYR   5 -10.778   5.858  -1.730
   38    HE2  TYR   5           HE2      TYR   5  -7.037   7.191  -3.277
   39    HH   TYR   5           HH       TYR   5 -10.460   7.294  -3.595
   40    H    GLY   6           H        GLY   6  -4.128   2.731   1.312
   41    HA2  GLY   6           HA2      GLY   6  -3.224   3.986   3.737
   42    HA3  GLY   6           HA3      GLY   6  -3.821   2.333   3.921
   43    H    GLN   7           H        GLN   7  -1.096   3.246   4.271
   44    HA   GLN   7           HA       GLN   7   0.433   2.563   2.001
   45    HB2  GLN   7           HB2      GLN   7   1.327   3.989   3.818
   46    HB3  GLN   7           HB3      GLN   7   1.288   2.612   4.905
   47    HG2  GLN   7           HG2      GLN   7   2.937   1.459   3.504
   48    HG3  GLN   7           HG3      GLN   7   2.990   2.841   2.415
   49   HE21  GLN   7          HE21      GLN   7   5.244   3.235   2.802
   50   HE22  GLN   7          HE22      GLN   7   5.774   3.830   4.301
   51    H    CYS   8           H        CYS   8   0.621   0.669   1.158
   52    HA   CYS   8           HA       CYS   8   0.027  -1.736   2.629
   53    HB2  CYS   8           HB2      CYS   8   0.563  -2.821   0.362
   54    HB3  CYS   8           HB3      CYS   8  -0.844  -1.772   0.447
   55    H    GLY   9           H        GLY   9   2.861  -0.357   0.987
   56    HA2  GLY   9           HA2      GLY   9   4.710  -0.951   2.818
   57    HA3  GLY   9           HA3      GLY   9   4.510  -2.499   2.000
   58    H    GLY  10           H        GLY  10   6.034   0.448   2.074
   59    HA2  GLY  10           HA2      GLY  10   7.091   0.049  -0.633
   60    HA3  GLY  10           HA3      GLY  10   7.120   1.582   0.244
   61    H    ILE  11           H        ILE  11   9.475   1.498  -0.162
   62    HA   ILE  11           HA       ILE  11  11.028  -0.480   1.124
   63    HB   ILE  11           HB       ILE  11  11.799   2.370   0.383
   64   HG12  ILE  11          HG12      ILE  11  12.292  -0.237  -1.084
   65   HG13  ILE  11          HG13      ILE  11  11.082   0.962  -1.531
   66   HG21  ILE  11          HG21      ILE  11  14.134   1.588   0.526
   67   HG22  ILE  11          HG22      ILE  11  13.568   0.015   1.089
   68   HG23  ILE  11          HG23      ILE  11  13.311   1.449   2.081
   69   HD11  ILE  11          HD11      ILE  11  14.070   1.371  -1.526
   70   HD12  ILE  11          HD12      ILE  11  12.864   2.575  -1.975
   71   HD13  ILE  11          HD13      ILE  11  13.054   1.115  -2.944
   72    H    GLY  12           H        GLY  12  11.329  -0.777   3.218
   73    HA2  GLY  12           HA2      GLY  12  11.984  -0.067   5.356
   74    HA3  GLY  12           HA3      GLY  12  11.365   1.536   4.991
   75    H    TYR  13           H        TYR  13   8.979  -0.464   3.976
   76    HA   TYR  13           HA       TYR  13   7.759  -0.444   6.648
   77    HB2  TYR  13           HB2      TYR  13   6.664   1.165   5.111
   78    HB3  TYR  13           HB3      TYR  13   6.337  -0.142   3.984
   79    HD1  TYR  13           HD1      TYR  13   4.591  -1.832   4.512
   80    HD2  TYR  13           HD2      TYR  13   5.352   1.427   7.136
   81    HE1  TYR  13           HE1      TYR  13   2.497  -2.291   5.655
   82    HE2  TYR  13           HE2      TYR  13   3.237   0.969   8.302
   83    HH   TYR  13           HH       TYR  13   1.064  -0.150   7.823
   84    H    SER  14           H        SER  14   6.781  -2.269   7.381
   85    HA   SER  14           HA       SER  14   6.428  -4.506   5.560
   86    HB2  SER  14           HB2      SER  14   7.643  -4.790   8.315
   87    HB3  SER  14           HB3      SER  14   7.567  -6.016   7.044
   88    H    GLY  15           H        GLY  15   4.652  -5.814   6.228
   89    HA2  GLY  15           HA2      GLY  15   3.289  -6.046   8.491
   90    HA3  GLY  15           HA3      GLY  15   2.820  -4.425   7.973
   91    HA   PRO  16           HA       PRO  16  -0.185  -7.009   5.764
   92    HB2  PRO  16           HB2      PRO  16  -1.787  -4.570   5.642
   93    HB3  PRO  16           HB3      PRO  16  -2.183  -6.097   6.435
   94    HG2  PRO  16           HG2      PRO  16  -1.635  -3.837   7.819
   95    HG3  PRO  16           HG3      PRO  16  -1.256  -5.456   8.431
   96    HD2  PRO  16           HD2      PRO  16   0.556  -3.442   7.156
   97    HD3  PRO  16           HD3      PRO  16   0.841  -4.496   8.558
   98    H    THR  17           H        THR  17   1.151  -7.088   3.936
   99    HA   THR  17           HA       THR  17   1.304  -4.789   2.224
  100    HB   THR  17           HB       THR  17   2.839  -6.432   0.974
  101    HG1  THR  17           HG1      THR  17   2.885  -8.348   1.817
  102   HG21  THR  17          HG21      THR  17   3.632  -4.543   2.360
  103   HG22  THR  17          HG22      THR  17   4.680  -5.948   2.532
  104   HG23  THR  17          HG23      THR  17   3.513  -5.558   3.797
  105    H    VAL  18           H        VAL  18  -0.753  -7.367   2.596
  106    HA   VAL  18           HA       VAL  18  -1.348  -7.588  -0.255
  107    HB   VAL  18           HB       VAL  18  -2.570  -9.080   2.105
  108   HG11  VAL  18          HG11      VAL  18  -2.959  -9.502  -0.866
  109   HG12  VAL  18          HG12      VAL  18  -4.165  -8.901   0.269
  110   HG13  VAL  18          HG13      VAL  18  -3.577 -10.556   0.405
  111   HG21  VAL  18          HG21      VAL  18  -0.618 -10.020   0.001
  112   HG22  VAL  18          HG22      VAL  18  -1.314 -11.014   1.284
  113   HG23  VAL  18          HG23      VAL  18  -0.229  -9.687   1.685
  114    H    CYS  19           H        CYS  19  -2.661  -6.139  -1.069
  115    HA   CYS  19           HA       CYS  19  -4.330  -4.526   0.627
  116    HB2  CYS  19           HB2      CYS  19  -3.923  -4.490  -2.370
  117    HB3  CYS  19           HB3      CYS  19  -4.845  -3.303  -1.447
  118    H    ALA  20           H        ALA  20  -6.577  -4.082   0.045
  119    HA   ALA  20           HA       ALA  20  -8.154  -6.393   0.167
  120    HB1  ALA  20           HB1      ALA  20  -8.759  -4.238   1.150
  121    HB2  ALA  20           HB2      ALA  20 -10.026  -4.833   0.079
  122    HB3  ALA  20           HB3      ALA  20  -8.942  -3.553  -0.463
  123    H    SER  21           H        SER  21  -9.714  -7.183  -1.338
  124    HA   SER  21           HA       SER  21  -8.779  -7.447  -3.943
  125    HB2  SER  21           HB2      SER  21 -11.519  -7.999  -2.798
  126    HB3  SER  21           HB3      SER  21 -10.934  -8.579  -4.357
  127    HG   SER  21           HG       SER  21  -9.360  -9.761  -3.314
  128    H    GLY  22           H        GLY  22  -8.784  -6.044  -5.489
  129    HA2  GLY  22           HA2      GLY  22 -10.072  -4.761  -7.076
  130    HA3  GLY  22           HA3      GLY  22 -11.021  -4.147  -5.722
  131    H    THR  23           H        THR  23  -8.245  -4.105  -4.291
  132    HA   THR  23           HA       THR  23  -7.520  -1.480  -5.379
  133    HB   THR  23           HB       THR  23  -6.672  -0.875  -3.135
  134    HG1  THR  23           HG1      THR  23  -7.170  -3.589  -2.632
  135   HG21  THR  23          HG21      THR  23  -9.050  -0.490  -3.561
  136   HG22  THR  23          HG22      THR  23  -8.760  -0.899  -1.869
  137   HG23  THR  23          HG23      THR  23  -9.419  -2.110  -2.970
  138    H    THR  24           H        THR  24  -5.339  -1.027  -5.637
  139    HA   THR  24           HA       THR  24  -3.671  -3.428  -5.701
  140    HB   THR  24           HB       THR  24  -2.498  -2.299  -7.645
  141    HG1  THR  24           HG1      THR  24  -4.559  -0.457  -7.148
  142   HG21  THR  24          HG21      THR  24  -4.080  -4.137  -7.984
  143   HG22  THR  24          HG22      THR  24  -4.208  -2.958  -9.290
  144   HG23  THR  24          HG23      THR  24  -5.417  -2.992  -8.005
  145    H    CYS  25           H        CYS  25  -1.699  -3.299  -4.784
  146    HA   CYS  25           HA       CYS  25  -1.003  -1.001  -3.212
  147    HB2  CYS  25           HB2      CYS  25  -0.447  -3.294  -2.456
  148    HB3  CYS  25           HB3      CYS  25   0.573  -3.520  -3.871
  149    H    GLN  26           H        GLN  26  -0.599   0.731  -4.463
  150    HA   GLN  26           HA       GLN  26   1.206   0.416  -6.730
  151    HB2  GLN  26           HB2      GLN  26  -0.586   2.718  -5.944
  152    HB3  GLN  26           HB3      GLN  26   0.473   2.714  -7.344
  153    HG2  GLN  26           HG2      GLN  26  -0.756   0.826  -8.275
  154    HG3  GLN  26           HG3      GLN  26  -1.814   0.816  -6.868
  155   HE21  GLN  26          HE21      GLN  26  -3.601   1.141  -8.115
  156   HE22  GLN  26          HE22      GLN  26  -3.983   2.654  -8.858
  157    H    VAL  27           H        VAL  27   3.187   1.170  -6.703
  158    HA   VAL  27           HA       VAL  27   4.175   2.329  -4.258
  159    HB   VAL  27           HB       VAL  27   5.683   1.666  -6.815
  160   HG11  VAL  27          HG11      VAL  27   6.892   3.229  -5.409
  161   HG12  VAL  27          HG12      VAL  27   7.677   1.647  -5.363
  162   HG13  VAL  27          HG13      VAL  27   6.676   2.175  -4.015
  163   HG21  VAL  27          HG21      VAL  27   5.339  -0.006  -4.329
  164   HG22  VAL  27          HG22      VAL  27   6.390  -0.396  -5.691
  165   HG23  VAL  27          HG23      VAL  27   4.644  -0.345  -5.913
  166    H    LEU  28           H        LEU  28   3.431   4.325  -4.140
  167    HA   LEU  28           HA       LEU  28   3.292   6.140  -6.369
  168    HB2  LEU  28           HB2      LEU  28   2.948   6.645  -3.413
  169    HB3  LEU  28           HB3      LEU  28   2.528   7.747  -4.706
  170    HG   LEU  28           HG       LEU  28   1.215   5.077  -4.212
  171   HD11  LEU  28          HD11      LEU  28  -0.722   6.425  -3.531
  172   HD12  LEU  28          HD12      LEU  28   0.266   7.885  -3.664
  173   HD13  LEU  28          HD13      LEU  28   0.663   6.654  -2.465
  174   HD21  LEU  28          HD21      LEU  28   1.193   5.702  -6.563
  175   HD22  LEU  28          HD22      LEU  28   0.577   7.299  -6.128
  176   HD23  LEU  28          HD23      LEU  28  -0.420   5.866  -5.856
  177    H    ASN  29           H        ASN  29   5.177   5.816  -3.463
  178    HA   ASN  29           HA       ASN  29   7.276   7.553  -4.561
  179    HB2  ASN  29           HB2      ASN  29   6.351   7.310  -1.663
  180    HB3  ASN  29           HB3      ASN  29   7.754   8.191  -2.203
  181   HD21  ASN  29          HD21      ASN  29   6.999  10.046  -1.222
  182   HD22  ASN  29          HD22      ASN  29   5.690  10.975  -1.853
  183    HA   PRO  30           HA       PRO  30   9.863   4.026  -3.731
  184    HB2  PRO  30           HB2      PRO  30  11.564   5.505  -1.795
  185    HB3  PRO  30           HB3      PRO  30  12.024   4.662  -3.277
  186    HG2  PRO  30           HG2      PRO  30  11.982   7.306  -3.195
  187    HG3  PRO  30           HG3      PRO  30  11.425   6.441  -4.635
  188    HD2  PRO  30           HD2      PRO  30   9.823   7.733  -2.463
  189    HD3  PRO  30           HD3      PRO  30   9.534   7.736  -4.213
  190    H    TYR  31           H        TYR  31   9.001   5.838  -0.805
  191    HA   TYR  31           HA       TYR  31   9.102   3.289   0.658
  192    HB2  TYR  31           HB2      TYR  31   8.798   6.039   1.858
  193    HB3  TYR  31           HB3      TYR  31   9.267   4.548   2.647
  194    HD1  TYR  31           HD1      TYR  31  10.444   7.371   0.630
  195    HD2  TYR  31           HD2      TYR  31  11.534   3.651   2.363
  196    HE1  TYR  31           HE1      TYR  31  12.796   7.917   0.308
  197    HE2  TYR  31           HE2      TYR  31  13.883   4.185   2.043
  198    HH   TYR  31           HH       TYR  31  15.253   5.623   0.622
  199    H    TYR  32           H        TYR  32   7.002   5.861  -0.441
  200    HA   TYR  32           HA       TYR  32   4.820   4.821   1.161
  201    HB2  TYR  32           HB2      TYR  32   5.243   7.343   0.781
  202    HB3  TYR  32           HB3      TYR  32   4.587   7.063  -0.823
  203    HD1  TYR  32           HD1      TYR  32   2.252   7.154  -1.189
  204    HD2  TYR  32           HD2      TYR  32   3.765   6.645   2.765
  205    HE1  TYR  32           HE1      TYR  32  -0.017   7.456  -0.278
  206    HE2  TYR  32           HE2      TYR  32   1.508   6.949   3.677
  207    HH   TYR  32           HH       TYR  32  -1.305   6.912   1.771
  208    H    SER  33           H        SER  33   3.755   3.183   0.419
  209    HA   SER  33           HA       SER  33   2.967   3.162  -2.390
  210    HB2  SER  33           HB2      SER  33   3.682   0.747  -0.689
  211    HB3  SER  33           HB3      SER  33   3.197   0.721  -2.385
  212    HG   SER  33           HG       SER  33   5.215   2.381  -2.262
  213    H    GLN  34           H        GLN  34   0.766   2.739  -2.613
  214    HA   GLN  34           HA       GLN  34  -0.650   2.300  -0.096
  215    HB2  GLN  34           HB2      GLN  34  -0.491   4.693  -0.364
  216    HB3  GLN  34           HB3      GLN  34  -1.135   4.597  -1.993
  217    HG2  GLN  34           HG2      GLN  34  -3.282   3.980  -1.184
  218    HG3  GLN  34           HG3      GLN  34  -2.657   3.730   0.442
  219   HE21  GLN  34          HE21      GLN  34  -3.710   6.051  -1.867
  220   HE22  GLN  34          HE22      GLN  34  -3.654   7.415  -0.813
  221    H    CYS  35           H        CYS  35  -2.536   1.180  -0.237
  222    HA   CYS  35           HA       CYS  35  -3.086  -0.229  -2.634
  223    HB2  CYS  35           HB2      CYS  35  -4.901  -0.013  -0.223
  224    HB3  CYS  35           HB3      CYS  35  -4.841  -1.252  -1.443
  225    H    LEU  36           H        LEU  36  -3.836   0.863  -4.253
  226    HA   LEU  36           HA       LEU  36  -6.077   2.685  -3.880
  227    HB2  LEU  36           HB2      LEU  36  -3.983   2.521  -6.046
  228    HB3  LEU  36           HB3      LEU  36  -5.384   3.564  -6.120
  229    HG   LEU  36           HG       LEU  36  -3.198   3.770  -4.041
  230   HD11  LEU  36          HD11      LEU  36  -2.390   4.374  -6.252
  231   HD12  LEU  36          HD12      LEU  36  -2.568   5.806  -5.232
  232   HD13  LEU  36          HD13      LEU  36  -3.771   5.446  -6.470
  233   HD21  LEU  36          HD21      LEU  36  -5.587   5.487  -4.655
  234   HD22  LEU  36          HD22      LEU  36  -4.265   5.964  -3.616
  235   HD23  LEU  36          HD23      LEU  36  -5.283   4.588  -3.163
  236    H1   MAN 101           H1       MAN 101   9.940  -6.315   6.776
  237    H2   MAN 101           H2       MAN 101   9.250  -5.867   9.080
  238    H3   MAN 101           H3       MAN 101   9.449  -3.756   9.797
  239    H4   MAN 101           H4       MAN 101  11.491  -2.282   9.000
  240    H5   MAN 101           H5       MAN 101  11.760  -2.774   6.430
  241    H61  MAN 101           H61      MAN 101  13.632  -2.728   8.011
  242    H62  MAN 101           H62      MAN 101  13.848  -3.951   6.751
  243    HO2  MAN 101           HO2      MAN 101  12.040  -5.800   8.635
  244    HO3  MAN 101           HO3      MAN 101  12.203  -4.439   9.976
  245    HO4  MAN 101           HO4      MAN 101  10.153  -1.475   7.397
  246    HO6  MAN 101           HO6      MAN 101  14.291  -5.117   8.501
  Start of MODEL   13
    1    H1   THR   1           H1       THR   1  -7.352  -7.116   5.342
    2    H2   THR   1           H2       THR   1  -5.780  -7.391   5.905
    3    H3   THR   1           H3       THR   1  -6.577  -8.570   4.964
    4    HA   THR   1           HA       THR   1  -4.952  -7.316   3.726
    5    HB   THR   1           HB       THR   1  -6.625  -6.486   1.945
    6    HG1  THR   1           HG1      THR   1  -8.793  -7.311   2.333
    7   HG21  THR   1          HG21      THR   1  -6.802  -9.340   2.946
    8   HG22  THR   1          HG22      THR   1  -5.587  -8.692   1.848
    9   HG23  THR   1          HG23      THR   1  -7.269  -8.790   1.335
   10    H    GLN   2           H        GLN   2  -4.181  -5.323   3.006
   11    HA   GLN   2           HA       GLN   2  -4.651  -3.243   4.884
   12    HB2  GLN   2           HB2      GLN   2  -2.486  -3.968   3.466
   13    HB3  GLN   2           HB3      GLN   2  -3.086  -2.728   2.383
   14    HG2  GLN   2           HG2      GLN   2  -2.492  -2.284   5.315
   15    HG3  GLN   2           HG3      GLN   2  -1.356  -1.947   4.031
   16   HE21  GLN   2          HE21      GLN   2  -3.315  -0.918   2.231
   17   HE22  GLN   2          HE22      GLN   2  -3.845   0.592   2.856
   18    H    SER   3           H        SER   3  -5.807  -1.453   4.681
   19    HA   SER   3           HA       SER   3  -8.086  -1.511   3.059
   20    HB2  SER   3           HB2      SER   3  -7.008   0.676   4.821
   21    HB3  SER   3           HB3      SER   3  -8.673   0.530   4.255
   22    HG   SER   3           HG       SER   3  -8.934  -1.274   5.461
   23    H    HIS   4           H        HIS   4  -8.894   0.205   1.720
   24    HA   HIS   4           HA       HIS   4  -7.111   1.018  -0.342
   25    HB2  HIS   4           HB2      HIS   4  -9.666   0.593  -0.522
   26    HB3  HIS   4           HB3      HIS   4  -9.853   2.188   0.184
   27    HD1  HIS   4           HD1      HIS   4 -11.090   2.837  -2.139
   28    HD2  HIS   4           HD2      HIS   4  -7.059   1.900  -2.448
   29    HE1  HIS   4           HE1      HIS   4 -10.420   3.499  -4.449
   30    HE2  HIS   4           HE2      HIS   4  -8.169   2.368  -4.662
   31    H    TYR   5           H        TYR   5  -5.825   2.758  -0.345
   32    HA   TYR   5           HA       TYR   5  -4.845   4.665   0.138
   33    HB2  TYR   5           HB2      TYR   5  -7.413   5.462   1.514
   34    HB3  TYR   5           HB3      TYR   5  -5.998   6.501   1.461
   35    HD1  TYR   5           HD1      TYR   5  -5.368   7.626  -0.551
   36    HD2  TYR   5           HD2      TYR   5  -8.712   5.002  -0.530
   37    HE1  TYR   5           HE1      TYR   5  -6.097   8.556  -2.695
   38    HE2  TYR   5           HE2      TYR   5  -9.447   5.922  -2.686
   39    HH   TYR   5           HH       TYR   5  -7.428   7.923  -4.560
   40    H    GLY   6           H        GLY   6  -3.769   2.834   1.309
   41    HA2  GLY   6           HA2      GLY   6  -2.793   4.007   3.737
   42    HA3  GLY   6           HA3      GLY   6  -3.482   2.383   3.905
   43    H    GLN   7           H        GLN   7  -0.755   2.853   4.354
   44    HA   GLN   7           HA       GLN   7   0.683   2.256   1.937
   45    HB2  GLN   7           HB2      GLN   7   1.692   3.684   3.666
   46    HB3  GLN   7           HB3      GLN   7   1.651   2.343   4.799
   47    HG2  GLN   7           HG2      GLN   7   3.251   1.115   3.475
   48    HG3  GLN   7           HG3      GLN   7   3.248   2.358   2.231
   49   HE21  GLN   7          HE21      GLN   7   5.546   2.775   2.483
   50   HE22  GLN   7          HE22      GLN   7   6.099   3.525   3.919
   51    H    CYS   8           H        CYS   8   0.802   0.366   1.130
   52    HA   CYS   8           HA       CYS   8   0.032  -1.995   2.616
   53    HB2  CYS   8           HB2      CYS   8   0.327  -3.037   0.315
   54    HB3  CYS   8           HB3      CYS   8  -0.947  -1.837   0.511
   55    H    GLY   9           H        GLY   9   2.890  -0.858   0.871
   56    HA2  GLY   9           HA2      GLY   9   4.669  -2.170   2.566
   57    HA3  GLY   9           HA3      GLY   9   4.310  -3.247   1.223
   58    H    GLY  10           H        GLY  10   5.599  -0.172   2.125
   59    HA2  GLY  10           HA2      GLY  10   6.962  -0.064  -0.479
   60    HA3  GLY  10           HA3      GLY  10   6.636   1.343   0.543
   61    H    ILE  11           H        ILE  11   9.083   1.444   0.100
   62    HA   ILE  11           HA       ILE  11  10.765  -0.334   1.511
   63    HB   ILE  11           HB       ILE  11  11.348   2.534   0.716
   64   HG12  ILE  11          HG12      ILE  11  11.970  -0.037  -0.758
   65   HG13  ILE  11          HG13      ILE  11  10.703   1.098  -1.207
   66   HG21  ILE  11          HG21      ILE  11  13.214   0.252   1.410
   67   HG22  ILE  11          HG22      ILE  11  12.899   1.672   2.402
   68   HG23  ILE  11          HG23      ILE  11  13.712   1.850   0.845
   69   HD11  ILE  11          HD11      ILE  11  13.665   1.663  -1.174
   70   HD12  ILE  11          HD12      ILE  11  12.396   2.804  -1.629
   71   HD13  ILE  11          HD13      ILE  11  12.675   1.360  -2.601
   72    H    GLY  12           H        GLY  12  10.769  -0.577   3.606
   73    HA2  GLY  12           HA2      GLY  12  11.397   0.327   5.752
   74    HA3  GLY  12           HA3      GLY  12  10.517   1.790   5.338
   75    H    TYR  13           H        TYR  13   8.561  -0.442   4.150
   76    HA   TYR  13           HA       TYR  13   7.055  -0.555   6.652
   77    HB2  TYR  13           HB2      TYR  13   5.964   0.577   4.707
   78    HB3  TYR  13           HB3      TYR  13   6.035  -0.946   3.830
   79    HD1  TYR  13           HD1      TYR  13   4.610  -2.886   4.618
   80    HD2  TYR  13           HD2      TYR  13   4.266   0.989   6.314
   81    HE1  TYR  13           HE1      TYR  13   2.423  -3.495   5.561
   82    HE2  TYR  13           HE2      TYR  13   2.094   0.389   7.268
   83    HH   TYR  13           HH       TYR  13   0.289  -1.228   6.719
   84    H    SER  14           H        SER  14   6.572  -2.431   7.550
   85    HA   SER  14           HA       SER  14   6.753  -4.896   6.011
   86    HB2  SER  14           HB2      SER  14   8.016  -4.335   8.704
   87    HB3  SER  14           HB3      SER  14   7.900  -5.938   7.960
   88    H    GLY  15           H        GLY  15   4.782  -5.802   6.174
   89    HA2  GLY  15           HA2      GLY  15   3.450  -6.465   8.462
   90    HA3  GLY  15           HA3      GLY  15   2.859  -4.861   8.024
   91    HA   PRO  16           HA       PRO  16   0.224  -7.721   5.598
   92    HB2  PRO  16           HB2      PRO  16  -1.736  -5.543   5.850
   93    HB3  PRO  16           HB3      PRO  16  -1.899  -7.237   6.332
   94    HG2  PRO  16           HG2      PRO  16  -1.687  -5.287   8.168
   95    HG3  PRO  16           HG3      PRO  16  -0.935  -6.874   8.404
   96    HD2  PRO  16           HD2      PRO  16   0.334  -4.320   7.461
   97    HD3  PRO  16           HD3      PRO  16   0.900  -5.470   8.694
   98    H    THR  17           H        THR  17   1.377  -7.417   3.737
   99    HA   THR  17           HA       THR  17   1.367  -4.959   2.309
  100    HB   THR  17           HB       THR  17   2.637  -6.331   0.608
  101    HG1  THR  17           HG1      THR  17   2.398  -8.393   0.824
  102   HG21  THR  17          HG21      THR  17   4.651  -6.522   2.011
  103   HG22  THR  17          HG22      THR  17   3.649  -6.413   3.460
  104   HG23  THR  17          HG23      THR  17   3.776  -5.032   2.375
  105    H    VAL  18           H        VAL  18  -0.508  -7.854   2.266
  106    HA   VAL  18           HA       VAL  18  -1.447  -7.534  -0.420
  107    HB   VAL  18           HB       VAL  18  -2.595  -9.254   1.808
  108   HG11  VAL  18          HG11      VAL  18  -3.044  -9.400  -1.179
  109   HG12  VAL  18          HG12      VAL  18  -4.212  -8.829   0.007
  110   HG13  VAL  18          HG13      VAL  18  -3.698 -10.514   0.023
  111   HG21  VAL  18          HG21      VAL  18  -0.695  -9.963  -0.424
  112   HG22  VAL  18          HG22      VAL  18  -1.379 -11.095   0.743
  113   HG23  VAL  18          HG23      VAL  18  -0.278  -9.829   1.281
  114    H    CYS  19           H        CYS  19  -2.823  -6.092  -1.043
  115    HA   CYS  19           HA       CYS  19  -4.366  -4.561   0.831
  116    HB2  CYS  19           HB2      CYS  19  -4.251  -4.407  -2.193
  117    HB3  CYS  19           HB3      CYS  19  -5.008  -3.244  -1.112
  118    H    ALA  20           H        ALA  20  -6.692  -4.103   0.286
  119    HA   ALA  20           HA       ALA  20  -8.155  -6.503   0.396
  120    HB1  ALA  20           HB1      ALA  20  -8.893  -4.447   1.490
  121    HB2  ALA  20           HB2      ALA  20 -10.126  -5.052   0.384
  122    HB3  ALA  20           HB3      ALA  20  -9.117  -3.686  -0.085
  123    H    SER  21           H        SER  21  -9.744  -7.285  -1.082
  124    HA   SER  21           HA       SER  21  -8.957  -7.585  -3.717
  125    HB2  SER  21           HB2      SER  21 -11.782  -7.761  -2.698
  126    HB3  SER  21           HB3      SER  21 -11.032  -8.713  -3.980
  127    HG   SER  21           HG       SER  21  -9.809  -9.774  -2.496
  128    H    GLY  22           H        GLY  22  -8.944  -6.052  -5.311
  129    HA2  GLY  22           HA2      GLY  22 -10.256  -4.676  -6.769
  130    HA3  GLY  22           HA3      GLY  22 -11.168  -4.139  -5.358
  131    H    THR  23           H        THR  23  -8.068  -4.293  -4.341
  132    HA   THR  23           HA       THR  23  -7.420  -1.625  -5.333
  133    HB   THR  23           HB       THR  23  -6.544  -0.990  -3.102
  134    HG1  THR  23           HG1      THR  23  -7.304  -3.634  -2.484
  135   HG21  THR  23          HG21      THR  23  -8.672  -0.789  -1.891
  136   HG22  THR  23          HG22      THR  23  -9.405  -1.941  -3.011
  137   HG23  THR  23          HG23      THR  23  -8.835  -0.380  -3.594
  138    H    THR  24           H        THR  24  -5.209  -1.268  -5.671
  139    HA   THR  24           HA       THR  24  -3.637  -3.743  -5.575
  140    HB   THR  24           HB       THR  24  -2.430  -2.786  -7.587
  141    HG1  THR  24           HG1      THR  24  -4.403  -0.802  -7.212
  142   HG21  THR  24          HG21      THR  24  -4.096  -4.567  -7.804
  143   HG22  THR  24          HG22      THR  24  -4.175  -3.464  -9.180
  144   HG23  THR  24          HG23      THR  24  -5.380  -3.363  -7.895
  145    H    CYS  25           H        CYS  25  -1.586  -3.646  -4.706
  146    HA   CYS  25           HA       CYS  25  -0.920  -1.280  -3.231
  147    HB2  CYS  25           HB2      CYS  25  -0.434  -3.513  -2.292
  148    HB3  CYS  25           HB3      CYS  25   0.624  -3.858  -3.654
  149    H    GLN  26           H        GLN  26  -0.261   0.399  -4.430
  150    HA   GLN  26           HA       GLN  26   1.787  -0.140  -6.460
  151    HB2  GLN  26           HB2      GLN  26  -0.417   1.904  -6.499
  152    HB3  GLN  26           HB3      GLN  26   0.953   1.931  -7.591
  153    HG2  GLN  26           HG2      GLN  26   0.309  -0.243  -8.469
  154    HG3  GLN  26           HG3      GLN  26  -1.068  -0.284  -7.364
  155   HE21  GLN  26          HE21      GLN  26  -2.825   0.976  -7.788
  156   HE22  GLN  26          HE22      GLN  26  -3.047   1.791  -9.294
  157    H    VAL  27           H        VAL  27   3.497   1.106  -6.554
  158    HA   VAL  27           HA       VAL  27   4.342   2.523  -4.293
  159    HB   VAL  27           HB       VAL  27   5.402   2.561  -7.147
  160   HG11  VAL  27          HG11      VAL  27   6.205   4.507  -5.920
  161   HG12  VAL  27          HG12      VAL  27   7.512   3.355  -6.196
  162   HG13  VAL  27          HG13      VAL  27   6.751   3.466  -4.608
  163   HG21  VAL  27          HG21      VAL  27   6.267   0.962  -4.745
  164   HG22  VAL  27          HG22      VAL  27   7.059   0.957  -6.319
  165   HG23  VAL  27          HG23      VAL  27   5.406   0.352  -6.156
  166    H    LEU  28           H        LEU  28   3.572   4.444  -3.700
  167    HA   LEU  28           HA       LEU  28   2.270   6.193  -5.659
  168    HB2  LEU  28           HB2      LEU  28   1.263   5.463  -3.368
  169    HB3  LEU  28           HB3      LEU  28   2.442   6.534  -2.666
  170    HG   LEU  28           HG       LEU  28   0.281   7.476  -4.570
  171   HD11  LEU  28          HD11      LEU  28  -0.738   6.532  -2.586
  172   HD12  LEU  28          HD12      LEU  28  -0.876   8.293  -2.586
  173   HD13  LEU  28          HD13      LEU  28   0.321   7.506  -1.568
  174   HD21  LEU  28          HD21      LEU  28   0.756   9.675  -3.633
  175   HD22  LEU  28          HD22      LEU  28   2.198   8.981  -4.381
  176   HD23  LEU  28          HD23      LEU  28   2.028   8.980  -2.627
  177    H    ASN  29           H        ASN  29   4.754   6.070  -3.214
  178    HA   ASN  29           HA       ASN  29   6.268   8.225  -4.485
  179    HB2  ASN  29           HB2      ASN  29   5.814   7.850  -1.489
  180    HB3  ASN  29           HB3      ASN  29   6.966   8.966  -2.199
  181   HD21  ASN  29          HD21      ASN  29   4.794   9.452  -0.366
  182   HD22  ASN  29          HD22      ASN  29   3.760  10.596  -1.113
  183    HA   PRO  30           HA       PRO  30   9.636   5.341  -4.353
  184    HB2  PRO  30           HB2      PRO  30  11.018   7.000  -2.290
  185    HB3  PRO  30           HB3      PRO  30  11.666   6.303  -3.782
  186    HG2  PRO  30           HG2      PRO  30  11.070   8.852  -3.723
  187    HG3  PRO  30           HG3      PRO  30  10.588   7.879  -5.127
  188    HD2  PRO  30           HD2      PRO  30   8.935   8.878  -2.862
  189    HD3  PRO  30           HD3      PRO  30   8.513   8.767  -4.582
  190    H    TYR  31           H        TYR  31   8.813   6.428  -1.048
  191    HA   TYR  31           HA       TYR  31   9.495   3.725  -0.118
  192    HB2  TYR  31           HB2      TYR  31   9.168   6.287   1.489
  193    HB3  TYR  31           HB3      TYR  31   9.600   4.711   2.146
  194    HD1  TYR  31           HD1      TYR  31  10.777   7.453  -0.063
  195    HD2  TYR  31           HD2      TYR  31  11.831   3.925   2.053
  196    HE1  TYR  31           HE1      TYR  31  13.145   7.885  -0.534
  197    HE2  TYR  31           HE2      TYR  31  14.190   4.343   1.590
  198    HH   TYR  31           HH       TYR  31  15.341   7.270   0.462
  199    H    TYR  32           H        TYR  32   6.930   5.954  -0.537
  200    HA   TYR  32           HA       TYR  32   5.157   4.404   1.169
  201    HB2  TYR  32           HB2      TYR  32   5.190   6.952   1.125
  202    HB3  TYR  32           HB3      TYR  32   4.439   6.820  -0.459
  203    HD1  TYR  32           HD1      TYR  32   2.128   6.529  -0.668
  204    HD2  TYR  32           HD2      TYR  32   3.987   5.971   3.100
  205    HE1  TYR  32           HE1      TYR  32  -0.080   6.398   0.398
  206    HE2  TYR  32           HE2      TYR  32   1.793   5.835   4.179
  207    HH   TYR  32           HH       TYR  32  -1.110   5.620   2.290
  208    H    SER  33           H        SER  33   4.313   2.618   0.246
  209    HA   SER  33           HA       SER  33   3.253   2.882  -2.466
  210    HB2  SER  33           HB2      SER  33   3.819   0.303  -0.938
  211    HB3  SER  33           HB3      SER  33   3.352   0.472  -2.634
  212    HG   SER  33           HG       SER  33   5.444   0.335  -2.850
  213    H    GLN  34           H        GLN  34   1.054   2.511  -2.708
  214    HA   GLN  34           HA       GLN  34  -0.410   2.112  -0.211
  215    HB2  GLN  34           HB2      GLN  34  -0.199   4.496  -0.506
  216    HB3  GLN  34           HB3      GLN  34  -0.804   4.384  -2.148
  217    HG2  GLN  34           HG2      GLN  34  -2.981   3.862  -1.410
  218    HG3  GLN  34           HG3      GLN  34  -2.421   3.561   0.231
  219   HE21  GLN  34          HE21      GLN  34  -3.274   5.966  -2.085
  220   HE22  GLN  34          HE22      GLN  34  -3.255   7.299  -0.984
  221    H    CYS  35           H        CYS  35  -2.353   1.123  -0.377
  222    HA   CYS  35           HA       CYS  35  -2.958  -0.355  -2.713
  223    HB2  CYS  35           HB2      CYS  35  -4.764   0.171  -0.351
  224    HB3  CYS  35           HB3      CYS  35  -4.833  -1.150  -1.496
  225    H    LEU  36           H        LEU  36  -3.644   0.645  -4.424
  226    HA   LEU  36           HA       LEU  36  -5.727   2.694  -4.219
  227    HB2  LEU  36           HB2      LEU  36  -3.585   2.299  -6.319
  228    HB3  LEU  36           HB3      LEU  36  -4.883   3.463  -6.435
  229    HG   LEU  36           HG       LEU  36  -2.713   3.503  -4.335
  230   HD11  LEU  36          HD11      LEU  36  -1.869   5.456  -5.542
  231   HD12  LEU  36          HD12      LEU  36  -3.110   5.236  -6.774
  232   HD13  LEU  36          HD13      LEU  36  -1.850   4.019  -6.565
  233   HD21  LEU  36          HD21      LEU  36  -4.737   4.504  -3.472
  234   HD22  LEU  36          HD22      LEU  36  -4.961   5.406  -4.965
  235   HD23  LEU  36          HD23      LEU  36  -3.615   5.799  -3.906
  236    H1   MAN 101           H1       MAN 101  11.211  -4.370   7.071
  237    H2   MAN 101           H2       MAN 101   9.727  -6.157   9.029
  238    H3   MAN 101           H3       MAN 101  11.206  -5.297  10.624
  239    H4   MAN 101           H4       MAN 101  12.950  -4.538   8.258
  240    H5   MAN 101           H5       MAN 101  11.441  -2.662  10.185
  241    H61  MAN 101           H61      MAN 101  11.474  -1.164   8.223
  242    H62  MAN 101           H62      MAN 101  12.387  -2.357   7.276
  243    HO2  MAN 101           HO2      MAN 101  10.574  -6.927   6.984
  244    HO3  MAN 101           HO3      MAN 101  12.887  -6.811   8.886
  245    HO4  MAN 101           HO4      MAN 101  14.046  -5.022  10.191
  246    HO6  MAN 101           HO6      MAN 101  13.913  -2.178   9.258
  Start of MODEL   14
    1    H1   THR   1           H1       THR   1  -4.854  -8.070   6.096
    2    H2   THR   1           H2       THR   1  -3.434  -8.230   5.165
    3    H3   THR   1           H3       THR   1  -4.797  -9.218   4.882
    4    HA   THR   1           HA       THR   1  -4.602  -7.495   3.243
    5    HB   THR   1           HB       THR   1  -7.023  -7.239   5.031
    6    HG1  THR   1           HG1      THR   1  -7.661  -9.155   3.703
    7   HG21  THR   1          HG21      THR   1  -6.977  -5.844   3.006
    8   HG22  THR   1          HG22      THR   1  -8.204  -7.105   2.882
    9   HG23  THR   1          HG23      THR   1  -6.669  -7.280   2.030
   10    H    GLN   2           H        GLN   2  -4.496  -5.280   2.822
   11    HA   GLN   2           HA       GLN   2  -4.463  -3.515   5.154
   12    HB2  GLN   2           HB2      GLN   2  -2.224  -4.119   3.954
   13    HB3  GLN   2           HB3      GLN   2  -2.793  -3.076   2.670
   14    HG2  GLN   2           HG2      GLN   2  -2.504  -2.154   5.527
   15    HG3  GLN   2           HG3      GLN   2  -1.189  -2.066   4.366
   16   HE21  GLN   2          HE21      GLN   2  -2.850  -1.335   2.145
   17   HE22  GLN   2          HE22      GLN   2  -3.385   0.266   2.438
   18    H    SER   3           H        SER   3  -5.480  -1.555   4.907
   19    HA   SER   3           HA       SER   3  -7.841  -1.531   3.477
   20    HB2  SER   3           HB2      SER   3  -6.429   0.731   4.850
   21    HB3  SER   3           HB3      SER   3  -8.149   0.619   4.486
   22    HG   SER   3           HG       SER   3  -8.062  -0.079   6.468
   23    H    HIS   4           H        HIS   4  -8.673  -0.104   1.980
   24    HA   HIS   4           HA       HIS   4  -7.145   0.583  -0.303
   25    HB2  HIS   4           HB2      HIS   4  -9.679   0.149  -0.147
   26    HB3  HIS   4           HB3      HIS   4  -9.821   1.746   0.555
   27    HD1  HIS   4           HD1      HIS   4 -11.479   1.683  -1.772
   28    HD2  HIS   4           HD2      HIS   4  -7.382   2.141  -2.245
   29    HE1  HIS   4           HE1      HIS   4 -11.159   2.504  -4.107
   30    HE2  HIS   4           HE2      HIS   4  -8.659   2.243  -4.416
   31    H    TYR   5           H        TYR   5  -6.028   2.472  -0.723
   32    HA   TYR   5           HA       TYR   5  -5.068   4.422  -0.491
   33    HB2  TYR   5           HB2      TYR   5  -7.540   5.147   1.074
   34    HB3  TYR   5           HB3      TYR   5  -6.223   6.294   0.842
   35    HD1  TYR   5           HD1      TYR   5  -5.480   6.714  -1.590
   36    HD2  TYR   5           HD2      TYR   5  -9.222   4.989  -0.551
   37    HE1  TYR   5           HE1      TYR   5  -6.363   7.341  -3.785
   38    HE2  TYR   5           HE2      TYR   5 -10.116   5.618  -2.772
   39    HH   TYR   5           HH       TYR   5  -9.675   7.211  -4.531
   40    H    GLY   6           H        GLY   6  -4.852   2.258   1.720
   41    HA2  GLY   6           HA2      GLY   6  -3.398   3.944   3.633
   42    HA3  GLY   6           HA3      GLY   6  -3.794   2.239   3.852
   43    H    GLN   7           H        GLN   7  -1.213   3.071   4.308
   44    HA   GLN   7           HA       GLN   7   0.400   2.645   1.969
   45    HB2  GLN   7           HB2      GLN   7   1.212   4.087   3.802
   46    HB3  GLN   7           HB3      GLN   7   1.184   2.716   4.898
   47    HG2  GLN   7           HG2      GLN   7   2.917   1.608   3.544
   48    HG3  GLN   7           HG3      GLN   7   2.960   3.002   2.469
   49   HE21  GLN   7          HE21      GLN   7   5.200   3.426   2.939
   50   HE22  GLN   7          HE22      GLN   7   5.662   4.020   4.460
   51    H    CYS   8           H        CYS   8   0.492   0.747   1.093
   52    HA   CYS   8           HA       CYS   8  -0.108  -1.651   2.578
   53    HB2  CYS   8           HB2      CYS   8   0.164  -2.735   0.331
   54    HB3  CYS   8           HB3      CYS   8  -1.097  -1.513   0.467
   55    H    GLY   9           H        GLY   9   2.759  -0.230   1.139
   56    HA2  GLY   9           HA2      GLY   9   4.559  -1.517   2.724
   57    HA3  GLY   9           HA3      GLY   9   4.210  -2.690   1.469
   58    H    GLY  10           H        GLY  10   5.667   0.303   2.242
   59    HA2  GLY  10           HA2      GLY  10   7.004   0.226  -0.355
   60    HA3  GLY  10           HA3      GLY  10   6.830   1.687   0.634
   61    H    ILE  11           H        ILE  11   9.274   1.566   0.241
   62    HA   ILE  11           HA       ILE  11  10.813  -0.303   1.676
   63    HB   ILE  11           HB       ILE  11  11.452   2.613   1.066
   64   HG12  ILE  11          HG12      ILE  11  12.196   0.104  -0.463
   65   HG13  ILE  11          HG13      ILE  11  10.961   1.258  -0.949
   66   HG21  ILE  11          HG21      ILE  11  13.303   0.340   1.824
   67   HG22  ILE  11          HG22      ILE  11  12.896   1.730   2.829
   68   HG23  ILE  11          HG23      ILE  11  13.813   1.959   1.340
   69   HD11  ILE  11          HD11      ILE  11  12.675   2.984  -1.196
   70   HD12  ILE  11          HD12      ILE  11  13.015   1.574  -2.202
   71   HD13  ILE  11          HD13      ILE  11  13.909   1.823  -0.701
   72    H    GLY  12           H        GLY  12  10.749  -0.641   3.824
   73    HA2  GLY  12           HA2      GLY  12  11.284   0.228   5.998
   74    HA3  GLY  12           HA3      GLY  12  10.465   1.720   5.550
   75    H    TYR  13           H        TYR  13   8.405  -0.195   4.242
   76    HA   TYR  13           HA       TYR  13   6.909  -0.596   6.728
   77    HB2  TYR  13           HB2      TYR  13   5.876   0.941   5.012
   78    HB3  TYR  13           HB3      TYR  13   5.830  -0.422   3.902
   79    HD1  TYR  13           HD1      TYR  13   4.132   1.298   6.535
   80    HD2  TYR  13           HD2      TYR  13   4.399  -2.476   4.597
   81    HE1  TYR  13           HE1      TYR  13   1.952   0.663   7.468
   82    HE2  TYR  13           HE2      TYR  13   2.219  -3.112   5.520
   83    HH   TYR  13           HH       TYR  13   0.107  -0.932   6.880
   84    H    SER  14           H        SER  14   6.703  -2.612   7.345
   85    HA   SER  14           HA       SER  14   6.738  -4.730   5.328
   86    HB2  SER  14           HB2      SER  14   8.117  -5.040   7.983
   87    HB3  SER  14           HB3      SER  14   8.374  -5.947   6.485
   88    H    GLY  15           H        GLY  15   4.931  -5.987   5.661
   89    HA2  GLY  15           HA2      GLY  15   3.935  -7.024   7.898
   90    HA3  GLY  15           HA3      GLY  15   3.329  -5.371   7.968
   91    HA   PRO  16           HA       PRO  16   0.084  -7.316   5.532
   92    HB2  PRO  16           HB2      PRO  16  -1.387  -4.808   5.841
   93    HB3  PRO  16           HB3      PRO  16  -1.800  -6.409   6.458
   94    HG2  PRO  16           HG2      PRO  16  -1.023  -4.366   8.070
   95    HG3  PRO  16           HG3      PRO  16  -0.702  -6.069   8.443
   96    HD2  PRO  16           HD2      PRO  16   1.135  -4.000   7.297
   97    HD3  PRO  16           HD3      PRO  16   1.448  -5.250   8.524
   98    H    THR  17           H        THR  17   1.099  -7.281   3.553
   99    HA   THR  17           HA       THR  17   1.252  -4.773   2.105
  100    HB   THR  17           HB       THR  17   2.675  -6.177   0.532
  101    HG1  THR  17           HG1      THR  17   3.512  -8.084   1.550
  102   HG21  THR  17          HG21      THR  17   3.622  -4.623   2.206
  103   HG22  THR  17          HG22      THR  17   4.637  -6.047   2.007
  104   HG23  THR  17          HG23      THR  17   3.582  -5.907   3.412
  105    H    VAL  18           H        VAL  18  -0.798  -7.411   2.305
  106    HA   VAL  18           HA       VAL  18  -1.460  -7.424  -0.530
  107    HB   VAL  18           HB       VAL  18  -2.656  -9.063   1.738
  108   HG11  VAL  18          HG11      VAL  18  -3.643 -10.449  -0.025
  109   HG12  VAL  18          HG12      VAL  18  -3.010  -9.344  -1.245
  110   HG13  VAL  18          HG13      VAL  18  -4.233  -8.788  -0.106
  111   HG21  VAL  18          HG21      VAL  18  -1.372 -10.934   0.806
  112   HG22  VAL  18          HG22      VAL  18  -0.312  -9.623   1.325
  113   HG23  VAL  18          HG23      VAL  18  -0.661  -9.847  -0.387
  114    H    CYS  19           H        CYS  19  -2.811  -5.961  -1.237
  115    HA   CYS  19           HA       CYS  19  -4.377  -4.406   0.562
  116    HB2  CYS  19           HB2      CYS  19  -4.291  -4.403  -2.449
  117    HB3  CYS  19           HB3      CYS  19  -5.075  -3.194  -1.431
  118    H    ALA  20           H        ALA  20  -6.629  -3.999   0.289
  119    HA   ALA  20           HA       ALA  20  -8.158  -6.325   0.530
  120    HB1  ALA  20           HB1      ALA  20  -8.635  -4.221   1.690
  121    HB2  ALA  20           HB2      ALA  20 -10.033  -4.831   0.809
  122    HB3  ALA  20           HB3      ALA  20  -9.092  -3.490   0.150
  123    H    SER  21           H        SER  21 -10.318  -6.496  -0.658
  124    HA   SER  21           HA       SER  21  -9.732  -7.368  -3.247
  125    HB2  SER  21           HB2      SER  21 -11.488  -8.311  -1.730
  126    HB3  SER  21           HB3      SER  21 -12.467  -6.885  -2.053
  127    HG   SER  21           HG       SER  21 -12.475  -9.053  -3.397
  128    H    GLY  22           H        GLY  22  -9.543  -6.256  -5.029
  129    HA2  GLY  22           HA2      GLY  22 -10.473  -4.915  -6.721
  130    HA3  GLY  22           HA3      GLY  22 -11.295  -3.976  -5.487
  131    H    THR  23           H        THR  23  -8.369  -4.337  -4.177
  132    HA   THR  23           HA       THR  23  -7.504  -1.842  -5.448
  133    HB   THR  23           HB       THR  23  -6.641  -1.066  -3.286
  134    HG1  THR  23           HG1      THR  23  -7.437  -3.663  -2.481
  135   HG21  THR  23          HG21      THR  23  -8.769  -0.788  -2.120
  136   HG22  THR  23          HG22      THR  23  -9.471  -2.073  -3.104
  137   HG23  THR  23          HG23      THR  23  -8.956  -0.565  -3.857
  138    H    THR  24           H        THR  24  -5.344  -1.458  -5.775
  139    HA   THR  24           HA       THR  24  -3.632  -3.842  -5.578
  140    HB   THR  24           HB       THR  24  -2.415  -2.856  -7.573
  141    HG1  THR  24           HG1      THR  24  -4.692  -1.150  -7.496
  142   HG21  THR  24          HG21      THR  24  -5.300  -3.674  -7.970
  143   HG22  THR  24          HG22      THR  24  -3.926  -4.770  -7.804
  144   HG23  THR  24          HG23      THR  24  -4.046  -3.714  -9.211
  145    H    CYS  25           H        CYS  25  -1.696  -3.624  -4.593
  146    HA   CYS  25           HA       CYS  25  -1.039  -1.202  -3.221
  147    HB2  CYS  25           HB2      CYS  25  -0.490  -3.418  -2.279
  148    HB3  CYS  25           HB3      CYS  25   0.585  -3.733  -3.634
  149    H    GLN  26           H        GLN  26  -0.391   0.491  -4.437
  150    HA   GLN  26           HA       GLN  26   1.573  -0.087  -6.532
  151    HB2  GLN  26           HB2      GLN  26  -0.400   2.168  -6.362
  152    HB3  GLN  26           HB3      GLN  26   0.807   1.961  -7.625
  153    HG2  GLN  26           HG2      GLN  26  -0.252  -0.173  -8.242
  154    HG3  GLN  26           HG3      GLN  26  -1.493   0.121  -7.025
  155   HE21  GLN  26          HE21      GLN  26  -3.132   0.188  -8.460
  156   HE22  GLN  26          HE22      GLN  26  -3.362   1.477  -9.587
  157    H    VAL  27           H        VAL  27   3.375   1.072  -6.654
  158    HA   VAL  27           HA       VAL  27   4.245   2.387  -4.275
  159    HB   VAL  27           HB       VAL  27   5.620   1.940  -6.950
  160   HG11  VAL  27          HG11      VAL  27   7.716   2.484  -5.784
  161   HG12  VAL  27          HG12      VAL  27   6.784   2.936  -4.354
  162   HG13  VAL  27          HG13      VAL  27   6.614   3.857  -5.842
  163   HG21  VAL  27          HG21      VAL  27   5.926   0.521  -4.310
  164   HG22  VAL  27          HG22      VAL  27   6.860   0.193  -5.770
  165   HG23  VAL  27          HG23      VAL  27   5.122  -0.117  -5.740
  166    H    LEU  28           H        LEU  28   3.733   4.448  -3.927
  167    HA   LEU  28           HA       LEU  28   3.132   6.200  -6.208
  168    HB2  LEU  28           HB2      LEU  28   1.638   5.806  -4.047
  169    HB3  LEU  28           HB3      LEU  28   2.762   6.918  -3.318
  170    HG   LEU  28           HG       LEU  28   1.044   7.610  -5.715
  171   HD11  LEU  28          HD11      LEU  28  -0.347   8.854  -4.149
  172   HD12  LEU  28          HD12      LEU  28   0.606   8.231  -2.807
  173   HD13  LEU  28          HD13      LEU  28  -0.352   7.124  -3.794
  174   HD21  LEU  28          HD21      LEU  28   2.602   9.377  -3.818
  175   HD22  LEU  28          HD22      LEU  28   1.580   9.930  -5.143
  176   HD23  LEU  28          HD23      LEU  28   3.050   9.014  -5.485
  177    H    ASN  29           H        ASN  29   5.227   5.741  -3.459
  178    HA   ASN  29           HA       ASN  29   7.198   7.572  -4.540
  179    HB2  ASN  29           HB2      ASN  29   6.272   7.605  -1.620
  180    HB3  ASN  29           HB3      ASN  29   7.688   8.414  -2.242
  181   HD21  ASN  29          HD21      ASN  29   4.259   8.520  -1.948
  182   HD22  ASN  29          HD22      ASN  29   4.077  10.126  -2.558
  183    HA   PRO  30           HA       PRO  30   9.941   4.234  -3.524
  184    HB2  PRO  30           HB2      PRO  30  11.379   5.948  -1.546
  185    HB3  PRO  30           HB3      PRO  30  12.031   4.973  -2.869
  186    HG2  PRO  30           HG2      PRO  30  11.861   7.594  -3.146
  187    HG3  PRO  30           HG3      PRO  30  11.425   6.528  -4.492
  188    HD2  PRO  30           HD2      PRO  30   9.663   8.038  -2.621
  189    HD3  PRO  30           HD3      PRO  30   9.464   7.753  -4.361
  190    H    TYR  31           H        TYR  31   9.090   6.050  -0.555
  191    HA   TYR  31           HA       TYR  31   9.086   3.502   0.899
  192    HB2  TYR  31           HB2      TYR  31   8.705   6.331   1.911
  193    HB3  TYR  31           HB3      TYR  31   8.761   4.897   2.903
  194    HD1  TYR  31           HD1      TYR  31  10.895   6.726   0.406
  195    HD2  TYR  31           HD2      TYR  31  10.740   4.349   3.920
  196    HE1  TYR  31           HE1      TYR  31  13.308   7.019   0.713
  197    HE2  TYR  31           HE2      TYR  31  13.145   4.635   4.226
  198    HH   TYR  31           HH       TYR  31  15.105   5.145   2.881
  199    H    TYR  32           H        TYR  32   6.941   5.885  -0.435
  200    HA   TYR  32           HA       TYR  32   4.748   4.812   1.135
  201    HB2  TYR  32           HB2      TYR  32   5.028   7.308   0.827
  202    HB3  TYR  32           HB3      TYR  32   4.580   7.043  -0.854
  203    HD1  TYR  32           HD1      TYR  32   3.288   6.077   2.504
  204    HD2  TYR  32           HD2      TYR  32   2.410   7.482  -1.408
  205    HE1  TYR  32           HE1      TYR  32   0.921   6.257   3.108
  206    HE2  TYR  32           HE2      TYR  32   0.031   7.654  -0.812
  207    HH   TYR  32           HH       TYR  32  -1.515   6.920   0.739
  208    H    SER  33           H        SER  33   3.782   3.073   0.394
  209    HA   SER  33           HA       SER  33   3.033   3.060  -2.430
  210    HB2  SER  33           HB2      SER  33   3.438   0.612  -0.665
  211    HB3  SER  33           HB3      SER  33   3.085   0.643  -2.397
  212    HG   SER  33           HG       SER  33   5.347   0.322  -1.632
  213    H    GLN  34           H        GLN  34   0.859   2.671  -2.777
  214    HA   GLN  34           HA       GLN  34  -0.793   2.523  -0.373
  215    HB2  GLN  34           HB2      GLN  34  -0.657   4.846  -0.756
  216    HB3  GLN  34           HB3      GLN  34  -0.818   4.668  -2.489
  217    HG2  GLN  34           HG2      GLN  34  -3.145   4.108  -2.251
  218    HG3  GLN  34           HG3      GLN  34  -2.985   4.093  -0.495
  219   HE21  GLN  34          HE21      GLN  34  -3.051   5.991   0.615
  220   HE22  GLN  34          HE22      GLN  34  -3.356   7.507  -0.118
  221    H    CYS  35           H        CYS  35  -2.675   1.420  -0.591
  222    HA   CYS  35           HA       CYS  35  -3.041  -0.193  -2.910
  223    HB2  CYS  35           HB2      CYS  35  -4.879   0.197  -0.542
  224    HB3  CYS  35           HB3      CYS  35  -4.941  -1.080  -1.741
  225    H    LEU  36           H        LEU  36  -3.772   0.740  -4.664
  226    HA   LEU  36           HA       LEU  36  -5.931   2.696  -4.497
  227    HB2  LEU  36           HB2      LEU  36  -4.112   1.949  -6.799
  228    HB3  LEU  36           HB3      LEU  36  -5.397   3.133  -6.885
  229    HG   LEU  36           HG       LEU  36  -2.922   3.359  -5.162
  230   HD11  LEU  36          HD11      LEU  36  -3.719   4.815  -7.677
  231   HD12  LEU  36          HD12      LEU  36  -2.435   3.612  -7.532
  232   HD13  LEU  36          HD13      LEU  36  -2.295   5.155  -6.695
  233   HD21  LEU  36          HD21      LEU  36  -4.831   4.462  -4.131
  234   HD22  LEU  36          HD22      LEU  36  -5.184   5.300  -5.637
  235   HD23  LEU  36          HD23      LEU  36  -3.698   5.657  -4.758
  236    H1   MAN 101           H1       MAN 101  10.503  -5.021   7.846
  237    H2   MAN 101           H2       MAN 101  11.101  -2.528   7.188
  238    H3   MAN 101           H3       MAN 101  12.527  -2.193   5.487
  239    H4   MAN 101           H4       MAN 101  11.982  -3.582   3.436
  240    H5   MAN 101           H5       MAN 101   9.783  -5.096   4.201
  241    H61  MAN 101           H61      MAN 101  11.527  -5.789   2.606
  242    H62  MAN 101           H62      MAN 101  11.076  -7.086   3.725
  243    HO2  MAN 101           HO2      MAN 101  12.151  -3.928   8.668
  244    HO3  MAN 101           HO3      MAN 101  13.889  -3.789   6.364
  245    HO4  MAN 101           HO4      MAN 101   9.781  -2.947   3.479
  246    HO6  MAN 101           HO6      MAN 101  13.089  -5.593   4.785
  Start of MODEL   15
    1    H1   THR   1           H1       THR   1  -7.115  -8.290   5.728
    2    H2   THR   1           H2       THR   1  -5.463  -8.424   6.027
    3    H3   THR   1           H3       THR   1  -6.286  -9.614   5.106
    4    HA   THR   1           HA       THR   1  -5.016  -8.126   3.676
    5    HB   THR   1           HB       THR   1  -7.933  -7.529   3.273
    6    HG1  THR   1           HG1      THR   1  -7.222 -10.073   2.533
    7   HG21  THR   1          HG21      THR   1  -5.784  -8.745   1.552
    8   HG22  THR   1          HG22      THR   1  -6.245  -7.045   1.557
    9   HG23  THR   1          HG23      THR   1  -7.393  -8.267   1.014
   10    H    GLN   2           H        GLN   2  -4.487  -5.886   3.201
   11    HA   GLN   2           HA       GLN   2  -5.359  -4.113   5.314
   12    HB2  GLN   2           HB2      GLN   2  -2.967  -4.172   4.612
   13    HB3  GLN   2           HB3      GLN   2  -3.447  -3.473   3.068
   14    HG2  GLN   2           HG2      GLN   2  -4.359  -1.515   4.272
   15    HG3  GLN   2           HG3      GLN   2  -3.794  -2.199   5.780
   16   HE21  GLN   2          HE21      GLN   2  -2.028  -2.319   2.787
   17   HE22  GLN   2          HE22      GLN   2  -0.792  -1.239   3.345
   18    H    SER   3           H        SER   3  -6.326  -2.170   5.083
   19    HA   SER   3           HA       SER   3  -8.525  -1.954   3.417
   20    HB2  SER   3           HB2      SER   3  -7.031   0.040   5.023
   21    HB3  SER   3           HB3      SER   3  -8.730   0.210   4.517
   22    HG   SER   3           HG       SER   3  -8.853  -1.985   5.647
   23    H    HIS   4           H        HIS   4  -9.031  -0.123   2.070
   24    HA   HIS   4           HA       HIS   4  -7.202   0.541  -0.012
   25    HB2  HIS   4           HB2      HIS   4  -9.744   0.360  -0.151
   26    HB3  HIS   4           HB3      HIS   4  -9.828   1.854   0.759
   27    HD1  HIS   4           HD1      HIS   4 -11.201   2.631  -1.392
   28    HD2  HIS   4           HD2      HIS   4  -7.165   1.980  -1.996
   29    HE1  HIS   4           HE1      HIS   4 -10.696   3.639  -3.627
   30    HE2  HIS   4           HE2      HIS   4  -8.413   2.662  -4.087
   31    H    TYR   5           H        TYR   5  -5.996   2.459  -0.202
   32    HA   TYR   5           HA       TYR   5  -4.932   4.294   0.349
   33    HB2  TYR   5           HB2      TYR   5  -7.351   4.852   2.075
   34    HB3  TYR   5           HB3      TYR   5  -5.989   5.962   1.987
   35    HD1  TYR   5           HD1      TYR   5  -5.381   6.955  -0.218
   36    HD2  TYR   5           HD2      TYR   5  -8.995   4.812   0.360
   37    HE1  TYR   5           HE1      TYR   5  -6.287   7.966  -2.259
   38    HE2  TYR   5           HE2      TYR   5  -9.917   5.817  -1.690
   39    HH   TYR   5           HH       TYR   5  -9.583   7.759  -3.080
   40    H    GLY   6           H        GLY   6  -4.670   1.767   1.814
   41    HA2  GLY   6           HA2      GLY   6  -3.190   2.801   4.120
   42    HA3  GLY   6           HA3      GLY   6  -3.571   1.103   3.805
   43    H    GLN   7           H        GLN   7  -0.928   2.458   4.256
   44    HA   GLN   7           HA       GLN   7   0.396   2.393   1.763
   45    HB2  GLN   7           HB2      GLN   7   1.287   3.678   3.661
   46    HB3  GLN   7           HB3      GLN   7   1.507   2.193   4.574
   47    HG2  GLN   7           HG2      GLN   7   3.232   1.460   3.160
   48    HG3  GLN   7           HG3      GLN   7   2.912   2.700   1.955
   49   HE21  GLN   7          HE21      GLN   7   5.412   2.152   3.275
   50   HE22  GLN   7          HE22      GLN   7   5.815   3.559   4.164
   51    H    CYS   8           H        CYS   8   0.621   0.597   0.666
   52    HA   CYS   8           HA       CYS   8   0.024  -1.942   1.793
   53    HB2  CYS   8           HB2      CYS   8   0.605  -2.759  -0.518
   54    HB3  CYS   8           HB3      CYS   8  -0.701  -1.581  -0.401
   55    H    GLY   9           H        GLY   9   2.999  -0.518   0.527
   56    HA2  GLY   9           HA2      GLY   9   4.668  -1.900   2.229
   57    HA3  GLY   9           HA3      GLY   9   4.414  -2.950   0.842
   58    H    GLY  10           H        GLY  10   5.642   0.043   1.938
   59    HA2  GLY  10           HA2      GLY  10   7.262   0.197  -0.489
   60    HA3  GLY  10           HA3      GLY  10   6.889   1.584   0.546
   61    H    ILE  11           H        ILE  11   9.466   1.306   0.223
   62    HA   ILE  11           HA       ILE  11  10.713  -0.516   1.994
   63    HB   ILE  11           HB       ILE  11  11.763   2.158   0.981
   64   HG12  ILE  11          HG12      ILE  11  12.149  -0.637  -0.134
   65   HG13  ILE  11          HG13      ILE  11  11.114   0.596  -0.831
   66   HG21  ILE  11          HG21      ILE  11  13.015   1.336   2.922
   67   HG22  ILE  11          HG22      ILE  11  13.995   1.227   1.460
   68   HG23  ILE  11          HG23      ILE  11  13.245  -0.220   2.130
   69   HD11  ILE  11          HD11      ILE  11  14.105   0.758  -0.547
   70   HD12  ILE  11          HD12      ILE  11  13.070   1.992  -1.270
   71   HD13  ILE  11          HD13      ILE  11  13.222   0.409  -2.031
   72    H    GLY  12           H        GLY  12  10.576  -0.498   4.130
   73    HA2  GLY  12           HA2      GLY  12  10.984   0.723   6.208
   74    HA3  GLY  12           HA3      GLY  12  10.192   2.106   5.463
   75    H    TYR  13           H        TYR  13   8.336  -0.135   4.300
   76    HA   TYR  13           HA       TYR  13   6.541  -0.027   6.583
   77    HB2  TYR  13           HB2      TYR  13   5.665   0.720   4.351
   78    HB3  TYR  13           HB3      TYR  13   5.905  -0.924   3.762
   79    HD1  TYR  13           HD1      TYR  13   3.951   1.194   6.043
   80    HD2  TYR  13           HD2      TYR  13   4.372  -2.706   4.399
   81    HE1  TYR  13           HE1      TYR  13   1.759   0.584   6.953
   82    HE2  TYR  13           HE2      TYR  13   2.185  -3.334   5.287
   83    HH   TYR  13           HH       TYR  13  -0.063  -1.168   6.338
   84    H    SER  14           H        SER  14   6.024  -1.769   7.678
   85    HA   SER  14           HA       SER  14   6.845  -4.394   6.701
   86    HB2  SER  14           HB2      SER  14   7.309  -3.230   9.456
   87    HB3  SER  14           HB3      SER  14   7.727  -4.866   8.936
   88    H    GLY  15           H        GLY  15   4.763  -5.027   6.300
   89    HA2  GLY  15           HA2      GLY  15   3.213  -5.970   8.381
   90    HA3  GLY  15           HA3      GLY  15   2.560  -4.402   7.899
   91    HA   PRO  16           HA       PRO  16   0.497  -7.481   5.238
   92    HB2  PRO  16           HB2      PRO  16  -1.702  -5.571   5.223
   93    HB3  PRO  16           HB3      PRO  16  -1.671  -7.222   5.835
   94    HG2  PRO  16           HG2      PRO  16  -1.861  -5.081   7.479
   95    HG3  PRO  16           HG3      PRO  16  -1.048  -6.584   7.949
   96    HD2  PRO  16           HD2      PRO  16   0.133  -4.011   6.977
   97    HD3  PRO  16           HD3      PRO  16   0.660  -5.071   8.306
   98    H    THR  17           H        THR  17   1.471  -7.288   3.299
   99    HA   THR  17           HA       THR  17   1.414  -4.806   1.838
  100    HB   THR  17           HB       THR  17   2.741  -6.095   0.149
  101    HG1  THR  17           HG1      THR  17   2.622  -8.187   0.293
  102   HG21  THR  17          HG21      THR  17   3.856  -4.840   1.944
  103   HG22  THR  17          HG22      THR  17   4.752  -6.319   1.578
  104   HG23  THR  17          HG23      THR  17   3.715  -6.232   3.005
  105    H    VAL  18           H        VAL  18  -0.524  -7.509   2.133
  106    HA   VAL  18           HA       VAL  18  -1.461  -7.539  -0.599
  107    HB   VAL  18           HB       VAL  18  -2.564  -9.029   1.807
  108   HG11  VAL  18          HG11      VAL  18  -2.978  -9.471  -1.142
  109   HG12  VAL  18          HG12      VAL  18  -4.164  -8.828  -0.006
  110   HG13  VAL  18          HG13      VAL  18  -3.608 -10.495   0.147
  111   HG21  VAL  18          HG21      VAL  18  -0.254  -9.666   1.399
  112   HG22  VAL  18          HG22      VAL  18  -0.611  -9.940  -0.303
  113   HG23  VAL  18          HG23      VAL  18  -1.334 -10.979   0.924
  114    H    CYS  19           H        CYS  19  -2.874  -6.122  -1.289
  115    HA   CYS  19           HA       CYS  19  -4.336  -4.495   0.584
  116    HB2  CYS  19           HB2      CYS  19  -4.236  -4.368  -2.431
  117    HB3  CYS  19           HB3      CYS  19  -4.926  -3.168  -1.334
  118    H    ALA  20           H        ALA  20  -6.557  -4.161   0.508
  119    HA   ALA  20           HA       ALA  20  -8.215  -6.320   0.566
  120    HB1  ALA  20           HB1      ALA  20  -8.697  -4.160   1.586
  121    HB2  ALA  20           HB2      ALA  20 -10.038  -4.726   0.599
  122    HB3  ALA  20           HB3      ALA  20  -8.963  -3.464  -0.011
  123    H    SER  21           H        SER  21  -9.810  -7.130  -0.743
  124    HA   SER  21           HA       SER  21  -9.277  -7.543  -3.395
  125    HB2  SER  21           HB2      SER  21 -11.931  -7.660  -1.958
  126    HB3  SER  21           HB3      SER  21 -11.502  -8.534  -3.426
  127    HG   SER  21           HG       SER  21 -10.255  -9.850  -2.338
  128    H    GLY  22           H        GLY  22  -9.221  -6.041  -4.932
  129    HA2  GLY  22           HA2      GLY  22 -10.559  -4.738  -6.471
  130    HA3  GLY  22           HA3      GLY  22 -11.425  -4.097  -5.078
  131    H    THR  23           H        THR  23  -8.268  -4.216  -4.137
  132    HA   THR  23           HA       THR  23  -7.644  -1.577  -5.268
  133    HB   THR  23           HB       THR  23  -6.756  -0.838  -3.022
  134    HG1  THR  23           HG1      THR  23  -7.520  -3.450  -2.347
  135   HG21  THR  23          HG21      THR  23  -8.898  -0.558  -1.896
  136   HG22  THR  23          HG22      THR  23  -9.613  -1.803  -2.925
  137   HG23  THR  23          HG23      THR  23  -9.069  -0.284  -3.629
  138    H    THR  24           H        THR  24  -5.401  -1.200  -5.633
  139    HA   THR  24           HA       THR  24  -3.775  -3.612  -5.286
  140    HB   THR  24           HB       THR  24  -2.577  -2.840  -7.407
  141    HG1  THR  24           HG1      THR  24  -5.040  -1.473  -7.772
  142   HG21  THR  24          HG21      THR  24  -4.221  -3.965  -8.874
  143   HG22  THR  24          HG22      THR  24  -5.417  -3.859  -7.578
  144   HG23  THR  24          HG23      THR  24  -3.967  -4.836  -7.364
  145    H    CYS  25           H        CYS  25  -1.598  -3.352  -4.910
  146    HA   CYS  25           HA       CYS  25  -0.880  -1.029  -3.413
  147    HB2  CYS  25           HB2      CYS  25  -0.064  -3.264  -2.788
  148    HB3  CYS  25           HB3      CYS  25   0.750  -3.408  -4.342
  149    H    GLN  26           H        GLN  26  -0.191   0.812  -4.359
  150    HA   GLN  26           HA       GLN  26   1.278   0.513  -6.864
  151    HB2  GLN  26           HB2      GLN  26  -0.630   2.719  -6.092
  152    HB3  GLN  26           HB3      GLN  26   0.333   2.685  -7.565
  153    HG2  GLN  26           HG2      GLN  26  -0.808   0.633  -8.266
  154    HG3  GLN  26           HG3      GLN  26  -1.761   0.663  -6.790
  155   HE21  GLN  26          HE21      GLN  26  -3.683   0.759  -7.886
  156   HE22  GLN  26          HE22      GLN  26  -4.194   2.190  -8.709
  157    H    VAL  27           H        VAL  27   3.213   1.306  -6.915
  158    HA   VAL  27           HA       VAL  27   4.315   2.543  -4.578
  159    HB   VAL  27           HB       VAL  27   5.605   1.894  -7.250
  160   HG11  VAL  27          HG11      VAL  27   6.876   2.617  -4.606
  161   HG12  VAL  27          HG12      VAL  27   6.859   3.608  -6.058
  162   HG13  VAL  27          HG13      VAL  27   7.747   2.082  -6.042
  163   HG21  VAL  27          HG21      VAL  27   6.552  -0.052  -6.109
  164   HG22  VAL  27          HG22      VAL  27   4.787  -0.111  -6.121
  165   HG23  VAL  27          HG23      VAL  27   5.649   0.356  -4.653
  166    H    LEU  28           H        LEU  28   3.762   4.580  -4.323
  167    HA   LEU  28           HA       LEU  28   3.512   6.388  -6.574
  168    HB2  LEU  28           HB2      LEU  28   3.219   6.916  -3.611
  169    HB3  LEU  28           HB3      LEU  28   2.769   8.011  -4.901
  170    HG   LEU  28           HG       LEU  28   1.459   5.353  -4.308
  171   HD11  LEU  28          HD11      LEU  28  -0.472   6.707  -3.682
  172   HD12  LEU  28          HD12      LEU  28   0.483   8.172  -3.903
  173   HD13  LEU  28          HD13      LEU  28   0.919   7.011  -2.642
  174   HD21  LEU  28          HD21      LEU  28   0.786   7.460  -6.346
  175   HD22  LEU  28          HD22      LEU  28  -0.195   6.044  -5.973
  176   HD23  LEU  28          HD23      LEU  28   1.411   5.844  -6.687
  177    H    ASN  29           H        ASN  29   5.452   6.000  -3.667
  178    HA   ASN  29           HA       ASN  29   7.561   7.700  -4.803
  179    HB2  ASN  29           HB2      ASN  29   6.663   7.626  -1.886
  180    HB3  ASN  29           HB3      ASN  29   7.980   8.576  -2.528
  181   HD21  ASN  29          HD21      ASN  29   5.590   9.399  -1.090
  182   HD22  ASN  29          HD22      ASN  29   4.789  10.541  -2.099
  183    HA   PRO  30           HA       PRO  30  10.277   4.325  -3.808
  184    HB2  PRO  30           HB2      PRO  30  11.741   5.851  -1.711
  185    HB3  PRO  30           HB3      PRO  30  12.377   5.027  -3.137
  186    HG2  PRO  30           HG2      PRO  30  12.218   7.669  -3.071
  187    HG3  PRO  30           HG3      PRO  30  11.824   6.778  -4.552
  188    HD2  PRO  30           HD2      PRO  30   9.999   8.032  -2.547
  189    HD3  PRO  30           HD3      PRO  30   9.847   7.984  -4.313
  190    H    TYR  31           H        TYR  31   9.454   6.044  -0.804
  191    HA   TYR  31           HA       TYR  31   9.403   3.467   0.577
  192    HB2  TYR  31           HB2      TYR  31   9.100   6.246   1.741
  193    HB3  TYR  31           HB3      TYR  31   9.360   4.755   2.629
  194    HD1  TYR  31           HD1      TYR  31  10.969   7.350   0.568
  195    HD2  TYR  31           HD2      TYR  31  11.590   3.747   2.742
  196    HE1  TYR  31           HE1      TYR  31  13.383   7.739   0.509
  197    HE2  TYR  31           HE2      TYR  31  14.014   4.127   2.684
  198    HH   TYR  31           HH       TYR  31  15.380   7.106   1.742
  199    H    TYR  32           H        TYR  32   7.323   5.963  -0.638
  200    HA   TYR  32           HA       TYR  32   5.091   4.959   0.931
  201    HB2  TYR  32           HB2      TYR  32   5.497   7.440   0.631
  202    HB3  TYR  32           HB3      TYR  32   4.960   7.224  -1.036
  203    HD1  TYR  32           HD1      TYR  32   3.877   6.392   2.397
  204    HD2  TYR  32           HD2      TYR  32   2.694   7.629  -1.494
  205    HE1  TYR  32           HE1      TYR  32   1.594   6.667   3.199
  206    HE2  TYR  32           HE2      TYR  32   0.379   7.910  -0.682
  207    HH   TYR  32           HH       TYR  32  -1.041   7.115   1.165
  208    H    SER  33           H        SER  33   4.018   3.328   0.180
  209    HA   SER  33           HA       SER  33   3.198   3.342  -2.615
  210    HB2  SER  33           HB2      SER  33   4.115   0.882  -1.070
  211    HB3  SER  33           HB3      SER  33   3.636   0.942  -2.769
  212    HG   SER  33           HG       SER  33   5.505   2.755  -2.458
  213    H    GLN  34           H        GLN  34   0.981   3.014  -2.713
  214    HA   GLN  34           HA       GLN  34  -0.317   2.251  -0.198
  215    HB2  GLN  34           HB2      GLN  34  -0.313   4.619  -0.144
  216    HB3  GLN  34           HB3      GLN  34  -0.821   4.771  -1.807
  217    HG2  GLN  34           HG2      GLN  34  -3.012   3.875  -1.201
  218    HG3  GLN  34           HG3      GLN  34  -2.480   3.691   0.467
  219   HE21  GLN  34          HE21      GLN  34  -2.339   5.504   1.774
  220   HE22  GLN  34          HE22      GLN  34  -3.004   7.015   1.307
  221    H    CYS  35           H        CYS  35  -2.351   1.277  -0.352
  222    HA   CYS  35           HA       CYS  35  -2.915  -0.095  -2.785
  223    HB2  CYS  35           HB2      CYS  35  -4.674   0.090  -0.329
  224    HB3  CYS  35           HB3      CYS  35  -4.691  -1.102  -1.594
  225    H    LEU  36           H        LEU  36  -3.872   0.896  -4.394
  226    HA   LEU  36           HA       LEU  36  -5.986   2.833  -3.858
  227    HB2  LEU  36           HB2      LEU  36  -4.131   2.622  -6.239
  228    HB3  LEU  36           HB3      LEU  36  -5.470   3.745  -6.109
  229    HG   LEU  36           HG       LEU  36  -3.002   3.743  -4.355
  230   HD11  LEU  36          HD11      LEU  36  -2.457   5.829  -5.505
  231   HD12  LEU  36          HD12      LEU  36  -3.842   5.593  -6.577
  232   HD13  LEU  36          HD13      LEU  36  -2.495   4.454  -6.607
  233   HD21  LEU  36          HD21      LEU  36  -3.862   5.883  -3.518
  234   HD22  LEU  36          HD22      LEU  36  -4.955   4.561  -3.143
  235   HD23  LEU  36          HD23      LEU  36  -5.333   5.667  -4.467
  236    H1   MAN 101           H1       MAN 101  10.689  -2.497   8.573
  237    H2   MAN 101           H2       MAN 101   9.122  -4.307  10.513
  238    H3   MAN 101           H3       MAN 101   9.541  -2.720  12.076
  239    H4   MAN 101           H4       MAN 101  11.937  -1.896  10.372
  240    H5   MAN 101           H5       MAN 101   9.468  -0.239  11.106
  241    H61  MAN 101           H61      MAN 101  11.259   1.013  10.053
  242    H62  MAN 101           H62      MAN 101   9.926   0.816   8.904
  243    HO2  MAN 101           HO2      MAN 101  11.264  -4.986  10.822
  244    HO3  MAN 101           HO3      MAN 101  11.612  -3.214  12.973
  245    HO4  MAN 101           HO4      MAN 101  12.085  -0.230  11.968
  246    HO6  MAN 101           HO6      MAN 101  12.335   0.278   8.327
  Start of MODEL   16
    1    H1   THR   1           H1       THR   1  -5.289  -8.710   5.088
    2    H2   THR   1           H2       THR   1  -6.117  -9.683   3.964
    3    H3   THR   1           H3       THR   1  -6.942  -8.492   4.844
    4    HA   THR   1           HA       THR   1  -4.849  -7.915   2.910
    5    HB   THR   1           HB       THR   1  -6.807  -6.950   1.646
    6    HG1  THR   1           HG1      THR   1  -8.879  -7.959   2.235
    7   HG21  THR   1          HG21      THR   1  -5.788  -9.067   0.950
    8   HG22  THR   1          HG22      THR   1  -7.530  -9.099   0.690
    9   HG23  THR   1          HG23      THR   1  -6.827  -9.947   2.069
   10    H    GLN   2           H        GLN   2  -4.628  -5.602   2.587
   11    HA   GLN   2           HA       GLN   2  -5.292  -4.146   5.013
   12    HB2  GLN   2           HB2      GLN   2  -2.947  -4.166   4.008
   13    HB3  GLN   2           HB3      GLN   2  -3.599  -3.135   2.740
   14    HG2  GLN   2           HG2      GLN   2  -4.367  -1.568   4.537
   15    HG3  GLN   2           HG3      GLN   2  -3.452  -2.546   5.674
   16   HE21  GLN   2          HE21      GLN   2  -1.250  -3.014   3.756
   17   HE22  GLN   2          HE22      GLN   2  -0.500  -1.453   3.682
   18    H    SER   3           H        SER   3  -6.077  -1.976   4.911
   19    HA   SER   3           HA       SER   3  -8.444  -1.578   3.548
   20    HB2  SER   3           HB2      SER   3  -6.644   0.368   4.929
   21    HB3  SER   3           HB3      SER   3  -8.405   0.478   4.765
   22    HG   SER   3           HG       SER   3  -7.961  -0.319   6.769
   23    H    HIS   4           H        HIS   4  -8.945   0.336   2.278
   24    HA   HIS   4           HA       HIS   4  -7.115   0.860   0.099
   25    HB2  HIS   4           HB2      HIS   4  -9.636   0.595  -0.158
   26    HB3  HIS   4           HB3      HIS   4  -9.821   2.086   0.736
   27    HD1  HIS   4           HD1      HIS   4 -10.860   3.453  -1.080
   28    HD2  HIS   4           HD2      HIS   4  -7.319   1.687  -2.282
   29    HE1  HIS   4           HE1      HIS   4 -10.416   4.356  -3.378
   30    HE2  HIS   4           HE2      HIS   4  -8.506   2.954  -4.191
   31    H    TYR   5           H        TYR   5  -5.895   2.715  -0.079
   32    HA   TYR   5           HA       TYR   5  -4.806   4.533   0.484
   33    HB2  TYR   5           HB2      TYR   5  -7.352   5.281   1.893
   34    HB3  TYR   5           HB3      TYR   5  -5.924   6.301   2.037
   35    HD1  TYR   5           HD1      TYR   5  -8.631   5.204  -0.157
   36    HD2  TYR   5           HD2      TYR   5  -5.027   7.432   0.075
   37    HE1  TYR   5           HE1      TYR   5  -9.167   6.303  -2.288
   38    HE2  TYR   5           HE2      TYR   5  -5.551   8.526  -2.040
   39    HH   TYR   5           HH       TYR   5  -8.596   8.402  -3.439
   40    H    GLY   6           H        GLY   6  -3.715   2.681   1.455
   41    HA2  GLY   6           HA2      GLY   6  -2.636   3.644   3.927
   42    HA3  GLY   6           HA3      GLY   6  -3.273   1.990   3.948
   43    H    GLN   7           H        GLN   7  -0.540   2.640   4.275
   44    HA   GLN   7           HA       GLN   7   0.772   2.263   1.764
   45    HB2  GLN   7           HB2      GLN   7   1.826   3.613   3.506
   46    HB3  GLN   7           HB3      GLN   7   1.836   2.237   4.594
   47    HG2  GLN   7           HG2      GLN   7   3.447   1.105   3.220
   48    HG3  GLN   7           HG3      GLN   7   3.378   2.371   2.000
   49   HE21  GLN   7          HE21      GLN   7   5.666   2.842   2.236
   50   HE22  GLN   7          HE22      GLN   7   6.230   3.591   3.667
   51    H    CYS   8           H        CYS   8   0.732   0.421   0.816
   52    HA   CYS   8           HA       CYS   8   0.001  -2.018   2.071
   53    HB2  CYS   8           HB2      CYS   8   0.557  -2.979  -0.196
   54    HB3  CYS   8           HB3      CYS   8  -0.672  -1.716  -0.162
   55    H    GLY   9           H        GLY   9   2.997  -0.855   0.667
   56    HA2  GLY   9           HA2      GLY   9   4.627  -2.199   2.483
   57    HA3  GLY   9           HA3      GLY   9   4.453  -3.172   1.023
   58    H    GLY  10           H        GLY  10   5.543  -0.216   2.343
   59    HA2  GLY  10           HA2      GLY  10   6.998   0.257  -0.145
   60    HA3  GLY  10           HA3      GLY  10   6.579   1.520   1.017
   61    H    ILE  11           H        ILE  11   9.130   1.383   0.367
   62    HA   ILE  11           HA       ILE  11  10.722  -0.355   1.908
   63    HB   ILE  11           HB       ILE  11  11.409   2.464   0.999
   64   HG12  ILE  11          HG12      ILE  11  11.889  -0.176  -0.402
   65   HG13  ILE  11          HG13      ILE  11  10.679   1.009  -0.872
   66   HG21  ILE  11          HG21      ILE  11  12.944   1.584   2.701
   67   HG22  ILE  11          HG22      ILE  11  13.744   1.699   1.134
   68   HG23  ILE  11          HG23      ILE  11  13.192   0.132   1.728
   69   HD11  ILE  11          HD11      ILE  11  12.474   2.614  -1.366
   70   HD12  ILE  11          HD12      ILE  11  12.622   1.135  -2.314
   71   HD13  ILE  11          HD13      ILE  11  13.669   1.395  -0.918
   72    H    GLY  12           H        GLY  12  10.662  -0.488   4.028
   73    HA2  GLY  12           HA2      GLY  12  11.297   0.481   6.131
   74    HA3  GLY  12           HA3      GLY  12  10.541   1.985   5.622
   75    H    TYR  13           H        TYR  13   8.402  -0.080   4.498
   76    HA   TYR  13           HA       TYR  13   6.894  -0.098   7.000
   77    HB2  TYR  13           HB2      TYR  13   5.775   1.134   5.200
   78    HB3  TYR  13           HB3      TYR  13   5.905  -0.263   4.140
   79    HD1  TYR  13           HD1      TYR  13   4.093   1.210   6.976
   80    HD2  TYR  13           HD2      TYR  13   4.426  -2.213   4.464
   81    HE1  TYR  13           HE1      TYR  13   1.922   0.391   7.795
   82    HE2  TYR  13           HE2      TYR  13   2.272  -3.031   5.262
   83    HH   TYR  13           HH       TYR  13   0.109  -1.129   6.963
   84    H    SER  14           H        SER  14   6.352  -1.972   7.887
   85    HA   SER  14           HA       SER  14   6.457  -4.363   6.226
   86    HB2  SER  14           HB2      SER  14   7.231  -4.177   9.145
   87    HB3  SER  14           HB3      SER  14   7.348  -5.617   8.143
   88    H    GLY  15           H        GLY  15   4.558  -5.496   6.267
   89    HA2  GLY  15           HA2      GLY  15   2.903  -5.952   8.353
   90    HA3  GLY  15           HA3      GLY  15   2.386  -4.384   7.739
   91    HA   PRO  16           HA       PRO  16   0.063  -7.532   5.323
   92    HB2  PRO  16           HB2      PRO  16  -2.042  -5.508   5.244
   93    HB3  PRO  16           HB3      PRO  16  -2.102  -7.138   5.915
   94    HG2  PRO  16           HG2      PRO  16  -2.152  -4.905   7.455
   95    HG3  PRO  16           HG3      PRO  16  -1.473  -6.448   8.000
   96    HD2  PRO  16           HD2      PRO  16  -0.070  -4.002   7.011
   97    HD3  PRO  16           HD3      PRO  16   0.380  -5.109   8.326
   98    H    THR  17           H        THR  17   1.229  -7.373   3.468
   99    HA   THR  17           HA       THR  17   1.345  -4.964   1.950
  100    HB   THR  17           HB       THR  17   2.656  -6.471   0.380
  101    HG1  THR  17           HG1      THR  17   3.129  -8.302   2.372
  102   HG21  THR  17          HG21      THR  17   4.614  -6.483   1.880
  103   HG22  THR  17          HG22      THR  17   3.539  -6.190   3.255
  104   HG23  THR  17          HG23      THR  17   3.716  -4.968   2.003
  105    H    VAL  18           H        VAL  18  -0.615  -7.747   1.965
  106    HA   VAL  18           HA       VAL  18  -1.473  -7.427  -0.788
  107    HB   VAL  18           HB       VAL  18  -2.573  -9.285   1.352
  108   HG11  VAL  18          HG11      VAL  18  -4.131  -8.898  -0.494
  109   HG12  VAL  18          HG12      VAL  18  -3.512 -10.550  -0.522
  110   HG13  VAL  18          HG13      VAL  18  -2.881  -9.356  -1.652
  111   HG21  VAL  18          HG21      VAL  18  -1.220 -11.045   0.272
  112   HG22  VAL  18          HG22      VAL  18  -0.218  -9.762   0.948
  113   HG23  VAL  18          HG23      VAL  18  -0.512  -9.827  -0.786
  114    H    CYS  19           H        CYS  19  -3.086  -6.101  -1.304
  115    HA   CYS  19           HA       CYS  19  -4.489  -4.786   0.857
  116    HB2  CYS  19           HB2      CYS  19  -4.608  -4.157  -2.100
  117    HB3  CYS  19           HB3      CYS  19  -5.030  -3.138  -0.723
  118    H    ALA  20           H        ALA  20  -6.850  -4.333   0.533
  119    HA   ALA  20           HA       ALA  20  -8.376  -6.665   0.379
  120    HB1  ALA  20           HB1      ALA  20  -9.064  -4.649   1.597
  121    HB2  ALA  20           HB2      ALA  20 -10.313  -5.185   0.473
  122    HB3  ALA  20           HB3      ALA  20  -9.294  -3.806   0.065
  123    H    SER  21           H        SER  21 -10.115  -7.186  -1.117
  124    HA   SER  21           HA       SER  21  -9.250  -7.440  -3.744
  125    HB2  SER  21           HB2      SER  21 -12.093  -7.578  -2.723
  126    HB3  SER  21           HB3      SER  21 -11.408  -8.409  -4.122
  127    HG   SER  21           HG       SER  21 -11.622  -9.385  -1.790
  128    H    GLY  22           H        GLY  22  -9.160  -5.913  -5.282
  129    HA2  GLY  22           HA2      GLY  22 -10.354  -4.340  -6.680
  130    HA3  GLY  22           HA3      GLY  22 -11.149  -3.746  -5.233
  131    H    THR  23           H        THR  23  -8.448  -4.045  -3.849
  132    HA   THR  23           HA       THR  23  -7.387  -1.495  -4.839
  133    HB   THR  23           HB       THR  23  -6.541  -1.066  -2.503
  134    HG1  THR  23           HG1      THR  23  -7.461  -3.686  -2.165
  135   HG21  THR  23          HG21      THR  23  -8.683  -0.798  -1.391
  136   HG22  THR  23          HG22      THR  23  -9.443  -1.886  -2.551
  137   HG23  THR  23          HG23      THR  23  -8.812  -0.325  -3.085
  138    H    THR  24           H        THR  24  -5.203  -1.301  -5.172
  139    HA   THR  24           HA       THR  24  -3.692  -3.817  -5.078
  140    HB   THR  24           HB       THR  24  -2.564  -2.966  -7.180
  141    HG1  THR  24           HG1      THR  24  -4.613  -1.032  -6.896
  142   HG21  THR  24          HG21      THR  24  -4.363  -3.746  -8.664
  143   HG22  THR  24          HG22      THR  24  -5.523  -3.575  -7.348
  144   HG23  THR  24          HG23      THR  24  -4.235  -4.772  -7.238
  145    H    CYS  25           H        CYS  25  -1.504  -3.637  -4.616
  146    HA   CYS  25           HA       CYS  25  -0.683  -1.331  -3.149
  147    HB2  CYS  25           HB2      CYS  25   0.028  -3.627  -2.521
  148    HB3  CYS  25           HB3      CYS  25   0.887  -3.772  -4.048
  149    H    GLN  26           H        GLN  26  -0.195   0.480  -4.266
  150    HA   GLN  26           HA       GLN  26   1.385   0.164  -6.719
  151    HB2  GLN  26           HB2      GLN  26  -0.560   2.352  -6.001
  152    HB3  GLN  26           HB3      GLN  26   0.422   2.308  -7.459
  153    HG2  GLN  26           HG2      GLN  26  -0.720   0.268  -8.162
  154    HG3  GLN  26           HG3      GLN  26  -1.712   0.319  -6.708
  155   HE21  GLN  26          HE21      GLN  26  -3.593   0.474  -7.840
  156   HE22  GLN  26          HE22      GLN  26  -4.086   1.879  -8.694
  157    H    VAL  27           H        VAL  27   3.271   1.125  -6.806
  158    HA   VAL  27           HA       VAL  27   4.299   2.495  -4.500
  159    HB   VAL  27           HB       VAL  27   5.554   2.086  -7.240
  160   HG11  VAL  27          HG11      VAL  27   7.691   2.494  -6.109
  161   HG12  VAL  27          HG12      VAL  27   6.829   2.816  -4.604
  162   HG13  VAL  27          HG13      VAL  27   6.620   3.890  -5.986
  163   HG21  VAL  27          HG21      VAL  27   5.005  -0.043  -6.170
  164   HG22  VAL  27          HG22      VAL  27   5.868   0.459  -4.718
  165   HG23  VAL  27          HG23      VAL  27   6.751   0.206  -6.227
  166    H    LEU  28           H        LEU  28   3.710   4.519  -4.150
  167    HA   LEU  28           HA       LEU  28   2.970   6.242  -6.393
  168    HB2  LEU  28           HB2      LEU  28   2.796   6.793  -3.430
  169    HB3  LEU  28           HB3      LEU  28   2.109   7.755  -4.721
  170    HG   LEU  28           HG       LEU  28   1.223   5.003  -3.866
  171   HD11  LEU  28          HD11      LEU  28  -0.101   7.702  -3.707
  172   HD12  LEU  28          HD12      LEU  28   0.527   6.760  -2.353
  173   HD13  LEU  28          HD13      LEU  28  -0.850   6.169  -3.279
  174   HD21  LEU  28          HD21      LEU  28   1.023   5.252  -6.276
  175   HD22  LEU  28          HD22      LEU  28   0.157   6.783  -6.038
  176   HD23  LEU  28          HD23      LEU  28  -0.559   5.262  -5.490
  177    H    ASN  29           H        ASN  29   5.159   6.063  -3.675
  178    HA   ASN  29           HA       ASN  29   6.875   8.118  -4.860
  179    HB2  ASN  29           HB2      ASN  29   6.190   7.787  -1.903
  180    HB3  ASN  29           HB3      ASN  29   7.384   8.887  -2.559
  181   HD21  ASN  29          HD21      ASN  29   4.984   9.427  -0.937
  182   HD22  ASN  29          HD22      ASN  29   4.077  10.550  -1.863
  183    HA   PRO  30           HA       PRO  30  10.197   5.203  -4.400
  184    HB2  PRO  30           HB2      PRO  30  11.440   6.937  -2.300
  185    HB3  PRO  30           HB3      PRO  30  12.183   6.197  -3.723
  186    HG2  PRO  30           HG2      PRO  30  11.582   8.761  -3.786
  187    HG3  PRO  30           HG3      PRO  30  11.218   7.739  -5.190
  188    HD2  PRO  30           HD2      PRO  30   9.381   8.792  -3.083
  189    HD3  PRO  30           HD3      PRO  30   9.092   8.637  -4.826
  190    H    TYR  31           H        TYR  31   9.243   6.469  -1.191
  191    HA   TYR  31           HA       TYR  31   9.664   3.761  -0.128
  192    HB2  TYR  31           HB2      TYR  31   9.310   6.385   1.335
  193    HB3  TYR  31           HB3      TYR  31   9.500   4.826   2.110
  194    HD1  TYR  31           HD1      TYR  31  11.640   3.938   2.512
  195    HD2  TYR  31           HD2      TYR  31  11.246   7.289  -0.069
  196    HE1  TYR  31           HE1      TYR  31  14.078   4.204   2.497
  197    HE2  TYR  31           HE2      TYR  31  13.685   7.562  -0.088
  198    HH   TYR  31           HH       TYR  31  15.800   5.166   1.169
  199    H    TYR  32           H        TYR  32   7.204   6.086  -0.863
  200    HA   TYR  32           HA       TYR  32   5.333   4.635   0.807
  201    HB2  TYR  32           HB2      TYR  32   5.343   7.165   0.775
  202    HB3  TYR  32           HB3      TYR  32   4.631   7.053  -0.836
  203    HD1  TYR  32           HD1      TYR  32   2.271   6.800  -1.089
  204    HD2  TYR  32           HD2      TYR  32   4.128   5.978   2.662
  205    HE1  TYR  32           HE1      TYR  32   0.071   6.530  -0.039
  206    HE2  TYR  32           HE2      TYR  32   1.929   5.699   3.698
  207    HH   TYR  32           HH       TYR  32  -0.364   6.421   3.303
  208    H    SER  33           H        SER  33   4.358   2.959   0.067
  209    HA   SER  33           HA       SER  33   3.327   3.008  -2.668
  210    HB2  SER  33           HB2      SER  33   4.136   0.574  -1.030
  211    HB3  SER  33           HB3      SER  33   3.661   0.596  -2.731
  212    HG   SER  33           HG       SER  33   5.608   2.303  -2.574
  213    H    GLN  34           H        GLN  34   1.087   2.655  -2.749
  214    HA   GLN  34           HA       GLN  34  -0.226   2.248  -0.144
  215    HB2  GLN  34           HB2      GLN  34  -0.119   4.604  -0.542
  216    HB3  GLN  34           HB3      GLN  34  -0.764   4.412  -2.164
  217    HG2  GLN  34           HG2      GLN  34  -2.912   3.762  -1.256
  218    HG3  GLN  34           HG3      GLN  34  -2.271   3.836   0.383
  219   HE21  GLN  34          HE21      GLN  34  -1.905   5.852   1.329
  220   HE22  GLN  34          HE22      GLN  34  -2.544   7.294   0.672
  221    H    CYS  35           H        CYS  35  -2.227   1.255  -0.176
  222    HA   CYS  35           HA       CYS  35  -2.887  -0.311  -2.455
  223    HB2  CYS  35           HB2      CYS  35  -4.454   0.105   0.104
  224    HB3  CYS  35           HB3      CYS  35  -4.714  -1.110  -1.119
  225    H    LEU  36           H        LEU  36  -3.696   0.699  -4.113
  226    HA   LEU  36           HA       LEU  36  -5.977   2.490  -3.740
  227    HB2  LEU  36           HB2      LEU  36  -3.965   2.366  -5.993
  228    HB3  LEU  36           HB3      LEU  36  -5.431   3.322  -6.043
  229    HG   LEU  36           HG       LEU  36  -3.119   3.732  -4.141
  230   HD11  LEU  36          HD11      LEU  36  -2.604   4.380  -6.431
  231   HD12  LEU  36          HD12      LEU  36  -2.771   5.797  -5.395
  232   HD13  LEU  36          HD13      LEU  36  -4.073   5.351  -6.492
  233   HD21  LEU  36          HD21      LEU  36  -4.310   5.781  -3.498
  234   HD22  LEU  36          HD22      LEU  36  -5.230   4.339  -3.091
  235   HD23  LEU  36          HD23      LEU  36  -5.676   5.300  -4.502
  236    H1   MAN 101           H1       MAN 101   8.380  -3.880   5.767
  237    H2   MAN 101           H2       MAN 101   8.404  -6.461   6.742
  238    H3   MAN 101           H3       MAN 101  10.372  -7.623   6.307
  239    H4   MAN 101           H4       MAN 101  12.301  -6.351   7.163
  240    H5   MAN 101           H5       MAN 101  11.541  -3.818   7.751
  241    H61  MAN 101           H61      MAN 101  12.854  -3.061   5.852
  242    H62  MAN 101           H62      MAN 101  12.650  -4.627   5.021
  243    HO2  MAN 101           HO2      MAN 101   9.234  -5.564   4.205
  244    HO3  MAN 101           HO3      MAN 101  11.969  -6.818   4.863
  245    HO4  MAN 101           HO4      MAN 101  11.265  -5.574   9.049
  246    HO6  MAN 101           HO6      MAN 101  14.603  -4.779   6.028
  Start of MODEL   17
    1    H1   THR   1           H1       THR   1  -5.663  -8.050   6.290
    2    H2   THR   1           H2       THR   1  -4.006  -7.861   6.075
    3    H3   THR   1           H3       THR   1  -4.820  -9.232   5.467
    4    HA   THR   1           HA       THR   1  -4.390  -7.631   3.702
    5    HB   THR   1           HB       THR   1  -7.321  -7.921   4.378
    6    HG1  THR   1           HG1      THR   1  -6.659 -10.094   3.174
    7   HG21  THR   1          HG21      THR   1  -5.773  -8.251   1.801
    8   HG22  THR   1          HG22      THR   1  -6.718  -6.833   2.243
    9   HG23  THR   1          HG23      THR   1  -7.521  -8.380   1.981
   10    H    GLN   2           H        GLN   2  -4.368  -5.429   3.199
   11    HA   GLN   2           HA       GLN   2  -5.322  -3.721   5.382
   12    HB2  GLN   2           HB2      GLN   2  -2.896  -3.755   4.525
   13    HB3  GLN   2           HB3      GLN   2  -3.544  -2.834   3.175
   14    HG2  GLN   2           HG2      GLN   2  -4.376  -1.133   4.761
   15    HG3  GLN   2           HG3      GLN   2  -3.650  -2.042   6.081
   16   HE21  GLN   2          HE21      GLN   2  -2.236  -1.596   2.903
   17   HE22  GLN   2          HE22      GLN   2  -0.925  -0.650   3.488
   18    H    SER   3           H        SER   3  -6.228  -1.660   4.919
   19    HA   SER   3           HA       SER   3  -8.427  -1.725   3.169
   20    HB2  SER   3           HB2      SER   3  -7.246   0.494   4.775
   21    HB3  SER   3           HB3      SER   3  -8.934   0.362   4.238
   22    HG   SER   3           HG       SER   3  -9.162  -1.427   5.597
   23    H    HIS   4           H        HIS   4  -8.958   0.027   1.761
   24    HA   HIS   4           HA       HIS   4  -7.165   0.793  -0.273
   25    HB2  HIS   4           HB2      HIS   4  -9.696   0.591  -0.404
   26    HB3  HIS   4           HB3      HIS   4  -9.802   2.027   0.579
   27    HD1  HIS   4           HD1      HIS   4 -11.010   3.453  -1.117
   28    HD2  HIS   4           HD2      HIS   4  -7.489   1.850  -2.602
   29    HE1  HIS   4           HE1      HIS   4 -10.713   4.481  -3.384
   30    HE2  HIS   4           HE2      HIS   4  -8.699   3.398  -4.338
   31    H    TYR   5           H        TYR   5  -5.965   2.691  -0.493
   32    HA   TYR   5           HA       TYR   5  -4.955   4.616  -0.073
   33    HB2  TYR   5           HB2      TYR   5  -7.207   5.100   1.851
   34    HB3  TYR   5           HB3      TYR   5  -5.875   6.241   1.678
   35    HD1  TYR   5           HD1      TYR   5  -9.071   5.264   0.520
   36    HD2  TYR   5           HD2      TYR   5  -5.472   7.127  -0.732
   37    HE1  TYR   5           HE1      TYR   5 -10.268   6.313  -1.345
   38    HE2  TYR   5           HE2      TYR   5  -6.658   8.180  -2.607
   39    HH   TYR   5           HH       TYR   5  -8.650   7.797  -3.924
   40    H    GLY   6           H        GLY   6  -4.744   2.097   1.809
   41    HA2  GLY   6           HA2      GLY   6  -3.098   3.432   3.804
   42    HA3  GLY   6           HA3      GLY   6  -3.526   1.712   3.815
   43    H    GLN   7           H        GLN   7  -0.915   2.820   4.152
   44    HA   GLN   7           HA       GLN   7   0.565   2.572   1.731
   45    HB2  GLN   7           HB2      GLN   7   1.473   3.857   3.614
   46    HB3  GLN   7           HB3      GLN   7   1.480   2.415   4.616
   47    HG2  GLN   7           HG2      GLN   7   3.138   1.394   3.108
   48    HG3  GLN   7           HG3      GLN   7   3.166   2.871   2.151
   49   HE21  GLN   7          HE21      GLN   7   5.441   3.185   2.601
   50   HE22  GLN   7          HE22      GLN   7   5.935   3.645   4.166
   51    H    CYS   8           H        CYS   8   0.609   0.738   0.697
   52    HA   CYS   8           HA       CYS   8   0.016  -1.743   1.985
   53    HB2  CYS   8           HB2      CYS   8   0.382  -2.693  -0.298
   54    HB3  CYS   8           HB3      CYS   8  -0.861  -1.454  -0.170
   55    H    GLY   9           H        GLY   9   2.933  -0.297   0.665
   56    HA2  GLY   9           HA2      GLY   9   4.666  -1.635   2.288
   57    HA3  GLY   9           HA3      GLY   9   4.362  -2.747   0.963
   58    H    GLY  10           H        GLY  10   5.837   0.150   1.961
   59    HA2  GLY  10           HA2      GLY  10   7.203   0.282  -0.623
   60    HA3  GLY  10           HA3      GLY  10   7.048   1.635   0.506
   61    H    ILE  11           H        ILE  11   9.488   1.499   0.159
   62    HA   ILE  11           HA       ILE  11  10.931  -0.597   1.388
   63    HB   ILE  11           HB       ILE  11  11.784   2.296   0.981
   64   HG12  ILE  11          HG12      ILE  11  12.196  -0.097  -0.831
   65   HG13  ILE  11          HG13      ILE  11  11.039   1.190  -1.115
   66   HG21  ILE  11          HG21      ILE  11  13.437  -0.201   1.375
   67   HG22  ILE  11          HG22      ILE  11  13.227   1.096   2.550
   68   HG23  ILE  11          HG23      ILE  11  14.074   1.407   1.033
   69   HD11  ILE  11          HD11      ILE  11  13.035   1.468  -2.476
   70   HD12  ILE  11          HD12      ILE  11  14.033   1.497  -1.021
   71   HD13  ILE  11          HD13      ILE  11  12.871   2.792  -1.320
   72    H    GLY  12           H        GLY  12  10.930  -1.074   3.496
   73    HA2  GLY  12           HA2      GLY  12  11.527  -0.525   5.739
   74    HA3  GLY  12           HA3      GLY  12  11.017   1.128   5.436
   75    H    TYR  13           H        TYR  13   8.679  -0.692   4.102
   76    HA   TYR  13           HA       TYR  13   7.096  -0.504   6.548
   77    HB2  TYR  13           HB2      TYR  13   6.130   0.632   4.608
   78    HB3  TYR  13           HB3      TYR  13   6.174  -0.847   3.669
   79    HD1  TYR  13           HD1      TYR  13   4.554  -2.702   4.214
   80    HD2  TYR  13           HD2      TYR  13   4.397   1.049   6.211
   81    HE1  TYR  13           HE1      TYR  13   2.288  -3.226   5.007
   82    HE2  TYR  13           HE2      TYR  13   2.134   0.529   7.014
   83    HH   TYR  13           HH       TYR  13   0.203  -1.002   6.100
   84    H    SER  14           H        SER  14   6.468  -2.253   7.586
   85    HA   SER  14           HA       SER  14   6.442  -4.786   6.189
   86    HB2  SER  14           HB2      SER  14   7.435  -5.815   8.269
   87    HB3  SER  14           HB3      SER  14   8.550  -4.781   7.372
   88    H    GLY  15           H        GLY  15   4.642  -5.950   6.680
   89    HA2  GLY  15           HA2      GLY  15   3.103  -6.186   8.810
   90    HA3  GLY  15           HA3      GLY  15   2.647  -4.581   8.235
   91    HA   PRO  16           HA       PRO  16   0.043  -7.320   5.737
   92    HB2  PRO  16           HB2      PRO  16  -1.911  -5.215   5.616
   93    HB3  PRO  16           HB3      PRO  16  -2.028  -6.751   6.468
   94    HG2  PRO  16           HG2      PRO  16  -1.845  -4.281   7.692
   95    HG3  PRO  16           HG3      PRO  16  -1.426  -5.818   8.461
   96    HD2  PRO  16           HD2      PRO  16   0.349  -3.742   7.261
   97    HD3  PRO  16           HD3      PRO  16   0.614  -4.782   8.681
   98    H    THR  17           H        THR  17   1.234  -7.233   3.872
   99    HA   THR  17           HA       THR  17   1.404  -4.789   2.355
  100    HB   THR  17           HB       THR  17   2.812  -6.379   0.880
  101    HG1  THR  17           HG1      THR  17   2.877  -8.366   1.563
  102   HG21  THR  17          HG21      THR  17   3.768  -4.644   2.340
  103   HG22  THR  17          HG22      THR  17   4.748  -6.110   2.377
  104   HG23  THR  17          HG23      THR  17   3.656  -5.741   3.716
  105    H    VAL  18           H        VAL  18  -0.676  -7.438   2.493
  106    HA   VAL  18           HA       VAL  18  -1.336  -7.246  -0.336
  107    HB   VAL  18           HB       VAL  18  -2.473  -9.101   1.789
  108   HG11  VAL  18          HG11      VAL  18  -3.471 -10.338  -0.084
  109   HG12  VAL  18          HG12      VAL  18  -2.877  -9.117  -1.208
  110   HG13  VAL  18          HG13      VAL  18  -4.086  -8.687  -0.000
  111   HG21  VAL  18          HG21      VAL  18  -1.184 -10.852   0.653
  112   HG22  VAL  18          HG22      VAL  18  -0.133  -9.590   1.297
  113   HG23  VAL  18          HG23      VAL  18  -0.496  -9.644  -0.428
  114    H    CYS  19           H        CYS  19  -2.845  -5.920  -0.985
  115    HA   CYS  19           HA       CYS  19  -4.495  -4.545   0.946
  116    HB2  CYS  19           HB2      CYS  19  -4.406  -4.238  -2.066
  117    HB3  CYS  19           HB3      CYS  19  -5.083  -3.116  -0.887
  118    H    ALA  20           H        ALA  20  -6.844  -4.362   0.509
  119    HA   ALA  20           HA       ALA  20  -8.095  -6.857   0.247
  120    HB1  ALA  20           HB1      ALA  20 -10.188  -5.579   0.252
  121    HB2  ALA  20           HB2      ALA  20  -9.283  -4.095  -0.038
  122    HB3  ALA  20           HB3      ALA  20  -9.075  -4.971   1.480
  123    H    SER  21           H        SER  21  -9.209  -7.794  -1.458
  124    HA   SER  21           HA       SER  21  -8.283  -7.281  -4.034
  125    HB2  SER  21           HB2      SER  21 -10.756  -8.775  -3.151
  126    HB3  SER  21           HB3      SER  21 -10.023  -8.864  -4.756
  127    HG   SER  21           HG       SER  21  -8.039  -9.343  -3.346
  128    H    GLY  22           H        GLY  22  -8.922  -5.982  -5.576
  129    HA2  GLY  22           HA2      GLY  22 -10.595  -4.656  -6.676
  130    HA3  GLY  22           HA3      GLY  22 -11.311  -4.343  -5.094
  131    H    THR  23           H        THR  23  -8.359  -4.195  -4.152
  132    HA   THR  23           HA       THR  23  -7.755  -1.538  -5.219
  133    HB   THR  23           HB       THR  23  -6.817  -0.898  -2.974
  134    HG1  THR  23           HG1      THR  23  -7.453  -3.552  -2.409
  135   HG21  THR  23          HG21      THR  23  -8.915  -0.709  -1.743
  136   HG22  THR  23          HG22      THR  23  -9.671  -1.878  -2.827
  137   HG23  THR  23          HG23      THR  23  -9.140  -0.313  -3.445
  138    H    THR  24           H        THR  24  -5.545  -1.146  -5.594
  139    HA   THR  24           HA       THR  24  -3.924  -3.588  -5.441
  140    HB   THR  24           HB       THR  24  -2.828  -2.846  -7.566
  141    HG1  THR  24           HG1      THR  24  -4.676  -0.755  -7.253
  142   HG21  THR  24          HG21      THR  24  -5.812  -3.308  -7.761
  143   HG22  THR  24          HG22      THR  24  -4.599  -4.567  -7.571
  144   HG23  THR  24          HG23      THR  24  -4.634  -3.592  -9.043
  145    H    CYS  25           H        CYS  25  -1.875  -3.394  -4.772
  146    HA   CYS  25           HA       CYS  25  -1.042  -1.049  -3.402
  147    HB2  CYS  25           HB2      CYS  25  -0.373  -3.291  -2.646
  148    HB3  CYS  25           HB3      CYS  25   0.479  -3.556  -4.163
  149    H    GLN  26           H        GLN  26  -0.520   0.717  -4.550
  150    HA   GLN  26           HA       GLN  26   1.219   0.355  -6.863
  151    HB2  GLN  26           HB2      GLN  26  -0.978   2.349  -6.377
  152    HB3  GLN  26           HB3      GLN  26   0.242   2.579  -7.622
  153    HG2  GLN  26           HG2      GLN  26  -0.448   0.569  -8.747
  154    HG3  GLN  26           HG3      GLN  26  -1.566   0.180  -7.441
  155   HE21  GLN  26          HE21      GLN  26  -3.499   1.209  -7.328
  156   HE22  GLN  26          HE22      GLN  26  -4.110   2.226  -8.561
  157    H    VAL  27           H        VAL  27   3.073   1.326  -6.844
  158    HA   VAL  27           HA       VAL  27   3.967   2.593  -4.437
  159    HB   VAL  27           HB       VAL  27   5.456   2.172  -7.046
  160   HG11  VAL  27          HG11      VAL  27   7.479   2.380  -5.678
  161   HG12  VAL  27          HG12      VAL  27   6.484   2.724  -4.264
  162   HG13  VAL  27          HG13      VAL  27   6.505   3.847  -5.622
  163   HG21  VAL  27          HG21      VAL  27   6.424   0.182  -5.970
  164   HG22  VAL  27          HG22      VAL  27   4.677   0.042  -6.150
  165   HG23  VAL  27          HG23      VAL  27   5.372   0.434  -4.577
  166    H    LEU  28           H        LEU  28   3.823   4.664  -4.063
  167    HA   LEU  28           HA       LEU  28   3.376   6.509  -6.301
  168    HB2  LEU  28           HB2      LEU  28   2.954   6.914  -3.331
  169    HB3  LEU  28           HB3      LEU  28   2.559   8.072  -4.581
  170    HG   LEU  28           HG       LEU  28   1.232   5.382  -4.184
  171   HD11  LEU  28          HD11      LEU  28   0.251   8.177  -3.680
  172   HD12  LEU  28          HD12      LEU  28   0.613   6.948  -2.462
  173   HD13  LEU  28          HD13      LEU  28  -0.727   6.718  -3.579
  174   HD21  LEU  28          HD21      LEU  28   1.285   6.001  -6.538
  175   HD22  LEU  28          HD22      LEU  28   0.636   7.596  -6.135
  176   HD23  LEU  28          HD23      LEU  28  -0.350   6.155  -5.887
  177    H    ASN  29           H        ASN  29   5.205   6.126  -3.322
  178    HA   ASN  29           HA       ASN  29   7.287   7.874  -4.410
  179    HB2  ASN  29           HB2      ASN  29   6.331   7.718  -1.511
  180    HB3  ASN  29           HB3      ASN  29   7.683   8.669  -2.105
  181   HD21  ASN  29          HD21      ASN  29   5.167   9.460  -0.724
  182   HD22  ASN  29          HD22      ASN  29   4.463  10.648  -1.736
  183    HA   PRO  30           HA       PRO  30  10.143   4.558  -3.647
  184    HB2  PRO  30           HB2      PRO  30  11.447   6.130  -1.466
  185    HB3  PRO  30           HB3      PRO  30  12.182   5.295  -2.843
  186    HG2  PRO  30           HG2      PRO  30  11.931   7.919  -2.889
  187    HG3  PRO  30           HG3      PRO  30  11.581   6.960  -4.339
  188    HD2  PRO  30           HD2      PRO  30   9.695   8.243  -2.415
  189    HD3  PRO  30           HD3      PRO  30   9.556   8.106  -4.176
  190    H    TYR  31           H        TYR  31   9.156   6.081  -0.575
  191    HA   TYR  31           HA       TYR  31   9.191   3.417   0.634
  192    HB2  TYR  31           HB2      TYR  31   8.759   6.086   1.970
  193    HB3  TYR  31           HB3      TYR  31   9.048   4.540   2.746
  194    HD1  TYR  31           HD1      TYR  31  11.340   3.506   2.563
  195    HD2  TYR  31           HD2      TYR  31  10.563   7.468   1.254
  196    HE1  TYR  31           HE1      TYR  31  13.746   3.999   2.601
  197    HE2  TYR  31           HE2      TYR  31  12.934   7.962   1.293
  198    HH   TYR  31           HH       TYR  31  15.258   5.515   1.571
  199    H    TYR  32           H        TYR  32   7.041   5.982  -0.413
  200    HA   TYR  32           HA       TYR  32   4.896   4.697   1.049
  201    HB2  TYR  32           HB2      TYR  32   5.091   7.218   1.117
  202    HB3  TYR  32           HB3      TYR  32   4.587   7.217  -0.573
  203    HD1  TYR  32           HD1      TYR  32   3.535   6.110   2.798
  204    HD2  TYR  32           HD2      TYR  32   2.294   7.111  -1.149
  205    HE1  TYR  32           HE1      TYR  32   1.191   5.943   3.501
  206    HE2  TYR  32           HE2      TYR  32  -0.055   6.953  -0.441
  207    HH   TYR  32           HH       TYR  32  -0.980   6.767   2.810
  208    H    SER  33           H        SER  33   3.843   3.143   0.188
  209    HA   SER  33           HA       SER  33   3.059   3.304  -2.630
  210    HB2  SER  33           HB2      SER  33   3.616   0.804  -0.984
  211    HB3  SER  33           HB3      SER  33   3.197   0.850  -2.703
  212    HG   SER  33           HG       SER  33   5.469   0.615  -2.261
  213    H    GLN  34           H        GLN  34   0.797   2.868  -2.914
  214    HA   GLN  34           HA       GLN  34  -0.660   2.602  -0.374
  215    HB2  GLN  34           HB2      GLN  34  -0.532   4.927  -0.871
  216    HB3  GLN  34           HB3      GLN  34  -1.096   4.681  -2.523
  217    HG2  GLN  34           HG2      GLN  34  -3.275   4.020  -1.621
  218    HG3  GLN  34           HG3      GLN  34  -2.662   4.273   0.010
  219   HE21  GLN  34          HE21      GLN  34  -2.276   6.391   0.725
  220   HE22  GLN  34          HE22      GLN  34  -2.957   7.749  -0.069
  221    H    CYS  35           H        CYS  35  -2.555   1.463  -0.437
  222    HA   CYS  35           HA       CYS  35  -3.088  -0.176  -2.702
  223    HB2  CYS  35           HB2      CYS  35  -4.855   0.253  -0.286
  224    HB3  CYS  35           HB3      CYS  35  -4.872  -1.067  -1.415
  225    H    LEU  36           H        LEU  36  -3.896   0.786  -4.424
  226    HA   LEU  36           HA       LEU  36  -6.269   2.452  -4.119
  227    HB2  LEU  36           HB2      LEU  36  -4.099   2.588  -6.210
  228    HB3  LEU  36           HB3      LEU  36  -5.615   3.460  -6.309
  229    HG   LEU  36           HG       LEU  36  -3.529   3.856  -4.167
  230   HD11  LEU  36          HD11      LEU  36  -4.260   5.565  -6.543
  231   HD12  LEU  36          HD12      LEU  36  -2.772   4.641  -6.355
  232   HD13  LEU  36          HD13      LEU  36  -3.114   5.992  -5.274
  233   HD21  LEU  36          HD21      LEU  36  -6.085   5.340  -4.776
  234   HD22  LEU  36          HD22      LEU  36  -4.885   5.801  -3.568
  235   HD23  LEU  36          HD23      LEU  36  -5.791   4.309  -3.373
  236    H1   MAN 101           H1       MAN 101   8.932  -5.437  10.081
  237    H2   MAN 101           H2       MAN 101   7.975  -3.464  11.579
  238    H3   MAN 101           H3       MAN 101   9.300  -1.694  11.955
  239    H4   MAN 101           H4       MAN 101  10.370  -0.789   9.845
  240    H5   MAN 101           H5       MAN 101   9.930  -2.564   7.806
  241    H61  MAN 101           H61      MAN 101  12.308  -3.264   7.965
  242    H62  MAN 101           H62      MAN 101  12.399  -2.595   9.612
  243    HO2  MAN 101           HO2      MAN 101   9.175  -5.339  12.213
  244    HO3  MAN 101           HO3      MAN 101  10.975  -3.226  12.392
  245    HO4  MAN 101           HO4      MAN 101   8.548  -0.923   8.582
  246    HO6  MAN 101           HO6      MAN 101  12.334  -0.553   8.824
  Start of MODEL   18
    1    H1   THR   1           H1       THR   1  -4.865  -9.012   5.388
    2    H2   THR   1           H2       THR   1  -5.569  -7.775   6.294
    3    H3   THR   1           H3       THR   1  -3.980  -7.601   5.782
    4    HA   THR   1           HA       THR   1  -4.765  -7.560   3.508
    5    HB   THR   1           HB       THR   1  -7.506  -7.563   4.817
    6    HG1  THR   1           HG1      THR   1  -7.612  -9.671   3.742
    7   HG21  THR   1          HG21      THR   1  -7.363  -6.328   2.685
    8   HG22  THR   1          HG22      THR   1  -8.313  -7.803   2.509
    9   HG23  THR   1          HG23      THR   1  -6.652  -7.748   1.918
   10    H    GLN   2           H        GLN   2  -4.103  -5.584   3.133
   11    HA   GLN   2           HA       GLN   2  -4.506  -3.554   5.135
   12    HB2  GLN   2           HB2      GLN   2  -2.322  -4.303   3.872
   13    HB3  GLN   2           HB3      GLN   2  -2.880  -3.212   2.625
   14    HG2  GLN   2           HG2      GLN   2  -2.487  -2.404   5.494
   15    HG3  GLN   2           HG3      GLN   2  -1.213  -2.290   4.295
   16   HE21  GLN   2          HE21      GLN   2  -3.021  -1.451   2.184
   17   HE22  GLN   2          HE22      GLN   2  -3.517   0.140   2.573
   18    H    SER   3           H        SER   3  -5.658  -1.731   4.878
   19    HA   SER   3           HA       SER   3  -7.896  -1.912   3.181
   20    HB2  SER   3           HB2      SER   3  -7.044   0.239   5.090
   21    HB3  SER   3           HB3      SER   3  -8.671  -0.002   4.457
   22    HG   SER   3           HG       SER   3  -8.979  -1.526   5.820
   23    H    HIS   4           H        HIS   4  -8.815   0.055   2.110
   24    HA   HIS   4           HA       HIS   4  -7.226   0.756  -0.138
   25    HB2  HIS   4           HB2      HIS   4  -9.804   0.482   0.042
   26    HB3  HIS   4           HB3      HIS   4  -9.796   2.109   0.696
   27    HD1  HIS   4           HD1      HIS   4 -11.376   1.814  -1.744
   28    HD2  HIS   4           HD2      HIS   4  -7.297   2.476  -1.957
   29    HE1  HIS   4           HE1      HIS   4 -10.953   2.654  -4.068
   30    HE2  HIS   4           HE2      HIS   4  -8.473   2.380  -4.206
   31    H    TYR   5           H        TYR   5  -5.949   2.477  -0.433
   32    HA   TYR   5           HA       TYR   5  -4.905   4.365  -0.242
   33    HB2  TYR   5           HB2      TYR   5  -7.240   5.274   1.440
   34    HB3  TYR   5           HB3      TYR   5  -5.879   6.326   1.067
   35    HD1  TYR   5           HD1      TYR   5  -9.102   5.424   0.072
   36    HD2  TYR   5           HD2      TYR   5  -5.299   6.384  -1.558
   37    HE1  TYR   5           HE1      TYR   5 -10.166   6.026  -2.067
   38    HE2  TYR   5           HE2      TYR   5  -6.359   6.988  -3.696
   39    HH   TYR   5           HH       TYR   5  -8.528   6.340  -4.911
   40    H    GLY   6           H        GLY   6  -4.765   2.162   1.846
   41    HA2  GLY   6           HA2      GLY   6  -3.122   3.631   3.786
   42    HA3  GLY   6           HA3      GLY   6  -3.593   1.935   3.907
   43    H    GLN   7           H        GLN   7  -0.941   2.600   4.273
   44    HA   GLN   7           HA       GLN   7   0.522   2.340   1.818
   45    HB2  GLN   7           HB2      GLN   7   1.448   3.573   3.779
   46    HB3  GLN   7           HB3      GLN   7   1.501   2.063   4.677
   47    HG2  GLN   7           HG2      GLN   7   3.122   1.167   3.080
   48    HG3  GLN   7           HG3      GLN   7   3.076   2.669   2.168
   49   HE21  GLN   7          HE21      GLN   7   5.314   3.143   2.490
   50   HE22  GLN   7          HE22      GLN   7   5.902   3.549   4.038
   51    H    CYS   8           H        CYS   8   0.843   0.524   0.784
   52    HA   CYS   8           HA       CYS   8   0.051  -2.000   2.002
   53    HB2  CYS   8           HB2      CYS   8   0.383  -2.911  -0.280
   54    HB3  CYS   8           HB3      CYS   8  -0.789  -1.606  -0.182
   55    H    GLY   9           H        GLY   9   3.041  -0.568   0.822
   56    HA2  GLY   9           HA2      GLY   9   4.652  -2.132   2.446
   57    HA3  GLY   9           HA3      GLY   9   4.457  -3.026   0.946
   58    H    GLY  10           H        GLY  10   5.253   0.170   2.122
   59    HA2  GLY  10           HA2      GLY  10   7.117   0.456  -0.126
   60    HA3  GLY  10           HA3      GLY  10   6.504   1.782   0.869
   61    H    ILE  11           H        ILE  11   9.109   1.824   0.694
   62    HA   ILE  11           HA       ILE  11  10.564   0.114   2.367
   63    HB   ILE  11           HB       ILE  11  11.228   3.006   1.724
   64   HG12  ILE  11          HG12      ILE  11  12.069   0.494   0.257
   65   HG13  ILE  11          HG13      ILE  11  10.818   1.595  -0.303
   66   HG21  ILE  11          HG21      ILE  11  13.557   2.319   2.136
   67   HG22  ILE  11          HG22      ILE  11  13.002   0.698   2.552
   68   HG23  ILE  11          HG23      ILE  11  12.550   2.069   3.567
   69   HD11  ILE  11          HD11      ILE  11  12.472   3.380  -0.483
   70   HD12  ILE  11          HD12      ILE  11  12.921   1.981  -1.460
   71   HD13  ILE  11          HD13      ILE  11  13.720   2.273   0.089
   72    H    GLY  12           H        GLY  12  10.434  -0.129   4.434
   73    HA2  GLY  12           HA2      GLY  12  10.748   0.803   6.646
   74    HA3  GLY  12           HA3      GLY  12   9.737   2.155   6.146
   75    H    TYR  13           H        TYR  13   7.935   0.209   4.724
   76    HA   TYR  13           HA       TYR  13   6.235  -0.276   7.020
   77    HB2  TYR  13           HB2      TYR  13   5.293   0.629   4.891
   78    HB3  TYR  13           HB3      TYR  13   5.745  -0.864   4.087
   79    HD1  TYR  13           HD1      TYR  13   4.435  -2.898   4.412
   80    HD2  TYR  13           HD2      TYR  13   3.438   0.678   6.485
   81    HE1  TYR  13           HE1      TYR  13   2.251  -3.860   5.007
   82    HE2  TYR  13           HE2      TYR  13   1.257  -0.277   7.091
   83    HH   TYR  13           HH       TYR  13  -0.243  -1.978   6.127
   84    H    SER  14           H        SER  14   5.862  -2.242   7.898
   85    HA   SER  14           HA       SER  14   7.026  -4.563   6.575
   86    HB2  SER  14           HB2      SER  14   7.279  -3.950   9.515
   87    HB3  SER  14           HB3      SER  14   8.111  -5.212   8.597
   88    H    GLY  15           H        GLY  15   5.137  -5.624   6.129
   89    HA2  GLY  15           HA2      GLY  15   3.692  -6.893   8.093
   90    HA3  GLY  15           HA3      GLY  15   2.837  -5.394   7.740
   91    HA   PRO  16           HA       PRO  16   1.342  -8.533   4.759
   92    HB2  PRO  16           HB2      PRO  16  -1.276  -7.300   5.189
   93    HB3  PRO  16           HB3      PRO  16  -0.777  -8.969   5.480
   94    HG2  PRO  16           HG2      PRO  16  -1.330  -7.287   7.515
   95    HG3  PRO  16           HG3      PRO  16  -0.073  -8.529   7.628
   96    HD2  PRO  16           HD2      PRO  16   0.236  -5.605   6.996
   97    HD3  PRO  16           HD3      PRO  16   1.142  -6.612   8.163
   98    H    THR  17           H        THR  17   1.567  -8.063   2.705
   99    HA   THR  17           HA       THR  17   1.222  -5.336   1.783
  100    HB   THR  17           HB       THR  17   2.343  -6.435  -0.294
  101    HG1  THR  17           HG1      THR  17   2.161  -8.612   0.313
  102   HG21  THR  17          HG21      THR  17   4.562  -6.100   0.711
  103   HG22  THR  17          HG22      THR  17   3.849  -6.175   2.322
  104   HG23  THR  17          HG23      THR  17   3.446  -4.843   1.240
  105    H    VAL  18           H        VAL  18  -0.598  -8.090   1.919
  106    HA   VAL  18           HA       VAL  18  -1.874  -7.938  -0.641
  107    HB   VAL  18           HB       VAL  18  -2.861  -9.257   1.912
  108   HG11  VAL  18          HG11      VAL  18  -4.370 -10.535   0.450
  109   HG12  VAL  18          HG12      VAL  18  -3.789  -9.623  -0.939
  110   HG13  VAL  18          HG13      VAL  18  -4.688  -8.800   0.338
  111   HG21  VAL  18          HG21      VAL  18  -2.049 -11.342   0.937
  112   HG22  VAL  18          HG22      VAL  18  -0.727 -10.178   1.075
  113   HG23  VAL  18          HG23      VAL  18  -1.487 -10.464  -0.480
  114    H    CYS  19           H        CYS  19  -3.151  -6.358  -1.225
  115    HA   CYS  19           HA       CYS  19  -4.333  -4.585   0.717
  116    HB2  CYS  19           HB2      CYS  19  -4.402  -4.564  -2.305
  117    HB3  CYS  19           HB3      CYS  19  -5.058  -3.299  -1.268
  118    H    ALA  20           H        ALA  20  -6.605  -3.932   0.441
  119    HA   ALA  20           HA       ALA  20  -8.360  -6.100   0.705
  120    HB1  ALA  20           HB1      ALA  20 -10.123  -4.412   0.847
  121    HB2  ALA  20           HB2      ALA  20  -9.009  -3.187   0.238
  122    HB3  ALA  20           HB3      ALA  20  -8.716  -3.948   1.803
  123    H    SER  21           H        SER  21 -10.339  -6.387  -0.516
  124    HA   SER  21           HA       SER  21  -9.879  -7.199  -3.110
  125    HB2  SER  21           HB2      SER  21 -11.615  -8.096  -1.580
  126    HB3  SER  21           HB3      SER  21 -12.517  -6.596  -1.751
  127    HG   SER  21           HG       SER  21 -11.824  -8.331  -3.875
  128    H    GLY  22           H        GLY  22  -9.658  -6.052  -4.894
  129    HA2  GLY  22           HA2      GLY  22 -10.495  -4.639  -6.586
  130    HA3  GLY  22           HA3      GLY  22 -11.378  -3.739  -5.366
  131    H    THR  23           H        THR  23  -8.503  -4.044  -3.954
  132    HA   THR  23           HA       THR  23  -7.603  -1.537  -5.173
  133    HB   THR  23           HB       THR  23  -6.659  -0.876  -3.011
  134    HG1  THR  23           HG1      THR  23  -7.432  -3.505  -2.279
  135   HG21  THR  23          HG21      THR  23  -8.710  -0.691  -1.700
  136   HG22  THR  23          HG22      THR  23  -9.475  -1.908  -2.726
  137   HG23  THR  23          HG23      THR  23  -8.993  -0.352  -3.406
  138    H    THR  24           H        THR  24  -5.449  -1.245  -5.615
  139    HA   THR  24           HA       THR  24  -3.875  -3.719  -5.611
  140    HB   THR  24           HB       THR  24  -2.754  -2.741  -7.655
  141    HG1  THR  24           HG1      THR  24  -4.780  -0.793  -7.250
  142   HG21  THR  24          HG21      THR  24  -4.568  -3.402  -9.182
  143   HG22  THR  24          HG22      THR  24  -5.712  -3.318  -7.843
  144   HG23  THR  24          HG23      THR  24  -4.426  -4.523  -7.827
  145    H    CYS  25           H        CYS  25  -1.739  -3.609  -4.996
  146    HA   CYS  25           HA       CYS  25  -0.982  -1.312  -3.436
  147    HB2  CYS  25           HB2      CYS  25  -0.357  -3.540  -2.653
  148    HB3  CYS  25           HB3      CYS  25   0.518  -3.849  -4.148
  149    H    GLN  26           H        GLN  26  -0.348   0.485  -4.497
  150    HA   GLN  26           HA       GLN  26   1.403   0.085  -6.798
  151    HB2  GLN  26           HB2      GLN  26  -0.574   2.316  -6.326
  152    HB3  GLN  26           HB3      GLN  26   0.553   2.244  -7.672
  153    HG2  GLN  26           HG2      GLN  26  -0.507   0.134  -8.397
  154    HG3  GLN  26           HG3      GLN  26  -1.681   0.315  -7.098
  155   HE21  GLN  26          HE21      GLN  26  -3.400   0.429  -8.495
  156   HE22  GLN  26          HE22      GLN  26  -3.668   1.776  -9.541
  157    H    VAL  27           H        VAL  27   3.197   1.292  -6.972
  158    HA   VAL  27           HA       VAL  27   4.152   2.473  -4.496
  159    HB   VAL  27           HB       VAL  27   5.636   2.022  -7.110
  160   HG11  VAL  27          HG11      VAL  27   6.683   2.558  -4.336
  161   HG12  VAL  27          HG12      VAL  27   6.683   3.690  -5.686
  162   HG13  VAL  27          HG13      VAL  27   7.668   2.229  -5.762
  163   HG21  VAL  27          HG21      VAL  27   6.607   0.028  -6.052
  164   HG22  VAL  27          HG22      VAL  27   4.856  -0.108  -6.229
  165   HG23  VAL  27          HG23      VAL  27   5.560   0.268  -4.654
  166    H    LEU  28           H        LEU  28   3.812   4.574  -4.233
  167    HA   LEU  28           HA       LEU  28   3.294   6.243  -6.587
  168    HB2  LEU  28           HB2      LEU  28   2.825   6.790  -3.663
  169    HB3  LEU  28           HB3      LEU  28   2.396   7.869  -4.969
  170    HG   LEU  28           HG       LEU  28   1.206   5.135  -4.484
  171   HD11  LEU  28          HD11      LEU  28   0.050   7.892  -4.125
  172   HD12  LEU  28          HD12      LEU  28   0.496   6.770  -2.839
  173   HD13  LEU  28          HD13      LEU  28  -0.825   6.373  -3.938
  174   HD21  LEU  28          HD21      LEU  28   0.536   7.240  -6.531
  175   HD22  LEU  28          HD22      LEU  28  -0.368   5.746  -6.247
  176   HD23  LEU  28          HD23      LEU  28   1.283   5.673  -6.860
  177    H    ASN  29           H        ASN  29   5.497   5.812  -3.953
  178    HA   ASN  29           HA       ASN  29   7.353   7.723  -5.089
  179    HB2  ASN  29           HB2      ASN  29   6.457   7.856  -2.169
  180    HB3  ASN  29           HB3      ASN  29   7.795   8.741  -2.870
  181   HD21  ASN  29          HD21      ASN  29   4.377   8.556  -2.524
  182   HD22  ASN  29          HD22      ASN  29   4.040  10.104  -3.209
  183    HA   PRO  30           HA       PRO  30  10.343   4.646  -3.892
  184    HB2  PRO  30           HB2      PRO  30  11.546   6.534  -1.910
  185    HB3  PRO  30           HB3      PRO  30  12.339   5.559  -3.156
  186    HG2  PRO  30           HG2      PRO  30  11.984   8.154  -3.538
  187    HG3  PRO  30           HG3      PRO  30  11.723   7.012  -4.868
  188    HD2  PRO  30           HD2      PRO  30   9.739   8.457  -3.191
  189    HD3  PRO  30           HD3      PRO  30   9.649   8.046  -4.913
  190    H    TYR  31           H        TYR  31   9.244   6.454  -0.992
  191    HA   TYR  31           HA       TYR  31   9.378   3.924   0.488
  192    HB2  TYR  31           HB2      TYR  31   8.899   6.740   1.514
  193    HB3  TYR  31           HB3      TYR  31   9.046   5.300   2.508
  194    HD1  TYR  31           HD1      TYR  31  10.926   7.488   0.163
  195    HD2  TYR  31           HD2      TYR  31  11.170   4.540   3.213
  196    HE1  TYR  31           HE1      TYR  31  13.333   7.841   0.293
  197    HE2  TYR  31           HE2      TYR  31  13.598   4.890   3.353
  198    HH   TYR  31           HH       TYR  31  15.391   5.703   1.825
  199    H    TYR  32           H        TYR  32   7.133   6.115  -0.920
  200    HA   TYR  32           HA       TYR  32   5.001   5.082   0.759
  201    HB2  TYR  32           HB2      TYR  32   5.255   7.562   0.301
  202    HB3  TYR  32           HB3      TYR  32   4.688   7.207  -1.328
  203    HD1  TYR  32           HD1      TYR  32   3.736   6.376   2.158
  204    HD2  TYR  32           HD2      TYR  32   2.426   7.572  -1.710
  205    HE1  TYR  32           HE1      TYR  32   1.458   6.524   2.992
  206    HE2  TYR  32           HE2      TYR  32   0.120   7.716  -0.881
  207    HH   TYR  32           HH       TYR  32  -1.238   7.034   0.862
  208    H    SER  33           H        SER  33   4.043   3.293   0.149
  209    HA   SER  33           HA       SER  33   3.179   3.034  -2.638
  210    HB2  SER  33           HB2      SER  33   3.879   0.744  -0.757
  211    HB3  SER  33           HB3      SER  33   3.483   0.640  -2.477
  212    HG   SER  33           HG       SER  33   5.588   0.722  -2.685
  213    H    GLN  34           H        GLN  34   0.988   2.693  -2.788
  214    HA   GLN  34           HA       GLN  34  -0.487   2.378  -0.270
  215    HB2  GLN  34           HB2      GLN  34  -0.429   4.711  -0.582
  216    HB3  GLN  34           HB3      GLN  34  -0.726   4.595  -2.299
  217    HG2  GLN  34           HG2      GLN  34  -3.022   3.885  -1.843
  218    HG3  GLN  34           HG3      GLN  34  -2.698   3.991  -0.110
  219   HE21  GLN  34          HE21      GLN  34  -2.749   5.966   0.879
  220   HE22  GLN  34          HE22      GLN  34  -3.118   7.426   0.027
  221    H    CYS  35           H        CYS  35  -2.453   1.307  -0.426
  222    HA   CYS  35           HA       CYS  35  -2.905  -0.234  -2.780
  223    HB2  CYS  35           HB2      CYS  35  -4.635   0.047  -0.315
  224    HB3  CYS  35           HB3      CYS  35  -4.778  -1.159  -1.572
  225    H    LEU  36           H        LEU  36  -3.654   0.795  -4.453
  226    HA   LEU  36           HA       LEU  36  -5.810   2.734  -4.185
  227    HB2  LEU  36           HB2      LEU  36  -4.004   2.053  -6.512
  228    HB3  LEU  36           HB3      LEU  36  -5.314   3.211  -6.580
  229    HG   LEU  36           HG       LEU  36  -2.830   3.462  -4.880
  230   HD11  LEU  36          HD11      LEU  36  -2.373   3.791  -7.237
  231   HD12  LEU  36          HD12      LEU  36  -2.330   5.336  -6.378
  232   HD13  LEU  36          HD13      LEU  36  -3.730   4.909  -7.354
  233   HD21  LEU  36          HD21      LEU  36  -3.651   5.704  -4.411
  234   HD22  LEU  36          HD22      LEU  36  -4.750   4.473  -3.799
  235   HD23  LEU  36          HD23      LEU  36  -5.143   5.351  -5.284
  236    H1   MAN 101           H1       MAN 101   9.354  -3.032  10.173
  237    H2   MAN 101           H2       MAN 101  10.149  -1.243   8.454
  238    H3   MAN 101           H3       MAN 101  12.137  -1.616   7.300
  239    H4   MAN 101           H4       MAN 101  12.444  -3.970   6.548
  240    H5   MAN 101           H5       MAN 101  10.345  -5.457   7.478
  241    H61  MAN 101           H61      MAN 101  11.912  -6.602   8.973
  242    H62  MAN 101           H62      MAN 101  13.041  -5.224   8.913
  243    HO2  MAN 101           HO2      MAN 101  11.938  -2.418  10.291
  244    HO3  MAN 101           HO3      MAN 101  13.773  -2.999   8.219
  245    HO4  MAN 101           HO4      MAN 101   9.713  -3.134   6.609
  246    HO6  MAN 101           HO6      MAN 101  12.214  -6.901   6.739
  Start of MODEL   19
    1    H1   THR   1           H1       THR   1  -5.234  -7.975   6.054
    2    H2   THR   1           H2       THR   1  -3.703  -7.947   5.364
    3    H3   THR   1           H3       THR   1  -4.764  -9.251   5.076
    4    HA   THR   1           HA       THR   1  -4.690  -7.744   3.189
    5    HB   THR   1           HB       THR   1  -7.354  -7.573   4.614
    6    HG1  THR   1           HG1      THR   1  -7.191  -9.662   4.893
    7   HG21  THR   1          HG21      THR   1  -7.144  -6.633   2.366
    8   HG22  THR   1          HG22      THR   1  -8.235  -8.024   2.384
    9   HG23  THR   1          HG23      THR   1  -6.593  -8.193   1.754
   10    H    GLN   2           H        GLN   2  -3.956  -5.674   2.904
   11    HA   GLN   2           HA       GLN   2  -4.308  -3.782   5.058
   12    HB2  GLN   2           HB2      GLN   2  -2.121  -4.384   3.803
   13    HB3  GLN   2           HB3      GLN   2  -2.700  -3.317   2.548
   14    HG2  GLN   2           HG2      GLN   2  -2.347  -2.451   5.417
   15    HG3  GLN   2           HG3      GLN   2  -1.068  -2.339   4.217
   16   HE21  GLN   2          HE21      GLN   2  -2.722  -1.567   2.041
   17   HE22  GLN   2          HE22      GLN   2  -3.286   0.013   2.376
   18    H    SER   3           H        SER   3  -5.244  -1.787   4.928
   19    HA   SER   3           HA       SER   3  -7.679  -1.569   3.682
   20    HB2  SER   3           HB2      SER   3  -6.058   0.621   4.905
   21    HB3  SER   3           HB3      SER   3  -7.813   0.438   4.885
   22    HG   SER   3           HG       SER   3  -6.297  -0.294   6.770
   23    H    HIS   4           H        HIS   4  -8.509  -0.091   2.218
   24    HA   HIS   4           HA       HIS   4  -7.082   0.734  -0.066
   25    HB2  HIS   4           HB2      HIS   4  -9.552   0.322   0.072
   26    HB3  HIS   4           HB3      HIS   4  -9.706   1.751   1.072
   27    HD1  HIS   4           HD1      HIS   4 -11.124   3.158  -0.412
   28    HD2  HIS   4           HD2      HIS   4  -7.815   1.658  -2.419
   29    HE1  HIS   4           HE1      HIS   4 -11.241   4.123  -2.725
   30    HE2  HIS   4           HE2      HIS   4  -9.197   3.268  -3.899
   31    H    TYR   5           H        TYR   5  -5.944   2.608  -0.474
   32    HA   TYR   5           HA       TYR   5  -4.882   4.507  -0.214
   33    HB2  TYR   5           HB2      TYR   5  -7.219   5.199   1.532
   34    HB3  TYR   5           HB3      TYR   5  -5.827   6.274   1.476
   35    HD1  TYR   5           HD1      TYR   5  -5.336   7.563  -0.503
   36    HD2  TYR   5           HD2      TYR   5  -8.632   4.890  -0.432
   37    HE1  TYR   5           HE1      TYR   5  -6.212   8.602  -2.548
   38    HE2  TYR   5           HE2      TYR   5  -9.514   5.924  -2.473
   39    HH   TYR   5           HH       TYR   5  -7.672   8.041  -4.388
   40    H    GLY   6           H        GLY   6  -4.666   2.178   1.840
   41    HA2  GLY   6           HA2      GLY   6  -2.932   3.640   3.698
   42    HA3  GLY   6           HA3      GLY   6  -3.468   1.969   3.884
   43    H    GLN   7           H        GLN   7  -0.821   2.550   4.182
   44    HA   GLN   7           HA       GLN   7   0.582   2.100   1.715
   45    HB2  GLN   7           HB2      GLN   7   1.605   3.457   3.467
   46    HB3  GLN   7           HB3      GLN   7   1.543   2.095   4.572
   47    HG2  GLN   7           HG2      GLN   7   3.126   0.885   3.257
   48    HG3  GLN   7           HG3      GLN   7   3.214   2.138   2.036
   49   HE21  GLN   7          HE21      GLN   7   5.445   2.664   2.390
   50   HE22  GLN   7          HE22      GLN   7   5.971   3.317   3.876
   51    H    CYS   8           H        CYS   8   0.659   0.246   0.810
   52    HA   CYS   8           HA       CYS   8  -0.049  -2.218   2.119
   53    HB2  CYS   8           HB2      CYS   8   0.549  -3.082  -0.238
   54    HB3  CYS   8           HB3      CYS   8  -0.874  -2.063  -0.025
   55    H    GLY   9           H        GLY   9   2.902  -1.049   0.536
   56    HA2  GLY   9           HA2      GLY   9   4.536  -2.599   2.234
   57    HA3  GLY   9           HA3      GLY   9   4.265  -3.443   0.711
   58    H    GLY  10           H        GLY  10   5.349  -0.493   2.124
   59    HA2  GLY  10           HA2      GLY  10   6.969  -0.073  -0.270
   60    HA3  GLY  10           HA3      GLY  10   6.442   1.221   0.809
   61    H    ILE  11           H        ILE  11   8.992   1.160   0.343
   62    HA   ILE  11           HA       ILE  11  10.552  -0.459   2.044
   63    HB   ILE  11           HB       ILE  11  11.169   2.324   0.994
   64   HG12  ILE  11          HG12      ILE  11  11.922  -0.390  -0.115
   65   HG13  ILE  11          HG13      ILE  11  10.679   0.661  -0.777
   66   HG21  ILE  11          HG21      ILE  11  13.526   1.734   1.377
   67   HG22  ILE  11          HG22      ILE  11  13.020   0.202   2.088
   68   HG23  ILE  11          HG23      ILE  11  12.606   1.718   2.885
   69   HD11  ILE  11          HD11      ILE  11  12.372   2.338  -1.293
   70   HD12  ILE  11          HD12      ILE  11  12.738   0.792  -2.059
   71   HD13  ILE  11          HD13      ILE  11  13.615   1.290  -0.614
   72    H    GLY  12           H        GLY  12  10.468  -0.502   4.170
   73    HA2  GLY  12           HA2      GLY  12  10.877   0.613   6.256
   74    HA3  GLY  12           HA3      GLY  12  10.035   2.019   5.614
   75    H    TYR  13           H        TYR  13   8.152  -0.302   4.505
   76    HA   TYR  13           HA       TYR  13   6.441  -0.182   6.866
   77    HB2  TYR  13           HB2      TYR  13   5.447   0.552   4.712
   78    HB3  TYR  13           HB3      TYR  13   5.739  -1.056   4.053
   79    HD1  TYR  13           HD1      TYR  13   4.184  -2.823   4.437
   80    HD2  TYR  13           HD2      TYR  13   3.862   0.789   6.653
   81    HE1  TYR  13           HE1      TYR  13   2.013  -3.568   5.331
   82    HE2  TYR  13           HE2      TYR  13   1.703   0.052   7.549
   83    HH   TYR  13           HH       TYR  13  -0.093  -1.466   6.792
   84    H    SER  14           H        SER  14   5.830  -1.950   7.957
   85    HA   SER  14           HA       SER  14   6.792  -4.569   7.011
   86    HB2  SER  14           HB2      SER  14   6.674  -3.894   9.901
   87    HB3  SER  14           HB3      SER  14   7.775  -4.996   9.067
   88    H    GLY  15           H        GLY  15   4.808  -5.596   6.586
   89    HA2  GLY  15           HA2      GLY  15   3.141  -6.444   8.534
   90    HA3  GLY  15           HA3      GLY  15   2.498  -4.860   8.105
   91    HA   PRO  16           HA       PRO  16   0.403  -7.809   5.306
   92    HB2  PRO  16           HB2      PRO  16  -1.728  -5.797   5.323
   93    HB3  PRO  16           HB3      PRO  16  -1.792  -7.485   5.822
   94    HG2  PRO  16           HG2      PRO  16  -1.933  -5.458   7.596
   95    HG3  PRO  16           HG3      PRO  16  -1.182  -7.014   7.988
   96    HD2  PRO  16           HD2      PRO  16   0.106  -4.422   7.227
   97    HD3  PRO  16           HD3      PRO  16   0.565  -5.592   8.488
   98    H    THR  17           H        THR  17   1.350  -7.615   3.385
   99    HA   THR  17           HA       THR  17   1.564  -5.076   2.070
  100    HB   THR  17           HB       THR  17   2.852  -6.501   0.406
  101    HG1  THR  17           HG1      THR  17   3.331  -8.541   1.004
  102   HG21  THR  17          HG21      THR  17   3.762  -6.449   3.290
  103   HG22  THR  17          HG22      THR  17   3.877  -5.100   2.167
  104   HG23  THR  17          HG23      THR  17   4.815  -6.572   1.877
  105    H    VAL  18           H        VAL  18  -0.586  -7.708   1.986
  106    HA   VAL  18           HA       VAL  18  -1.242  -7.308  -0.812
  107    HB   VAL  18           HB       VAL  18  -2.562  -9.208   1.154
  108   HG11  VAL  18          HG11      VAL  18  -3.362 -10.361  -0.859
  109   HG12  VAL  18          HG12      VAL  18  -2.641  -9.099  -1.852
  110   HG13  VAL  18          HG13      VAL  18  -3.963  -8.705  -0.756
  111   HG21  VAL  18          HG21      VAL  18  -0.193  -9.748   0.906
  112   HG22  VAL  18          HG22      VAL  18  -0.371  -9.766  -0.850
  113   HG23  VAL  18          HG23      VAL  18  -1.200 -10.972   0.134
  114    H    CYS  19           H        CYS  19  -2.784  -6.043  -1.464
  115    HA   CYS  19           HA       CYS  19  -4.167  -4.409   0.416
  116    HB2  CYS  19           HB2      CYS  19  -4.310  -4.505  -2.587
  117    HB3  CYS  19           HB3      CYS  19  -5.018  -3.256  -1.562
  118    H    ALA  20           H        ALA  20  -6.432  -3.936   0.310
  119    HA   ALA  20           HA       ALA  20  -8.068  -6.184   0.702
  120    HB1  ALA  20           HB1      ALA  20  -9.851  -4.585   1.043
  121    HB2  ALA  20           HB2      ALA  20  -8.878  -3.309   0.314
  122    HB3  ALA  20           HB3      ALA  20  -8.377  -4.032   1.841
  123    H    SER  21           H        SER  21 -10.316  -6.201  -0.288
  124    HA   SER  21           HA       SER  21 -10.111  -7.347  -2.770
  125    HB2  SER  21           HB2      SER  21 -12.639  -7.179  -2.622
  126    HB3  SER  21           HB3      SER  21 -11.820  -8.000  -1.282
  127    HG   SER  21           HG       SER  21 -12.558  -5.291  -1.368
  128    H    GLY  22           H        GLY  22  -9.640  -6.314  -4.604
  129    HA2  GLY  22           HA2      GLY  22 -10.391  -5.133  -6.462
  130    HA3  GLY  22           HA3      GLY  22 -11.368  -4.130  -5.400
  131    H    THR  23           H        THR  23  -8.427  -4.265  -3.935
  132    HA   THR  23           HA       THR  23  -7.684  -1.755  -5.276
  133    HB   THR  23           HB       THR  23  -6.658  -1.032  -3.120
  134    HG1  THR  23           HG1      THR  23  -7.393  -3.645  -2.396
  135   HG21  THR  23          HG21      THR  23  -9.516  -1.960  -2.848
  136   HG22  THR  23          HG22      THR  23  -8.987  -0.449  -3.586
  137   HG23  THR  23          HG23      THR  23  -8.736  -0.723  -1.862
  138    H    THR  24           H        THR  24  -5.477  -1.308  -5.704
  139    HA   THR  24           HA       THR  24  -3.772  -3.705  -5.650
  140    HB   THR  24           HB       THR  24  -2.697  -2.741  -7.728
  141    HG1  THR  24           HG1      THR  24  -4.667  -0.815  -7.298
  142   HG21  THR  24          HG21      THR  24  -4.455  -3.557  -9.250
  143   HG22  THR  24          HG22      THR  24  -5.618  -3.504  -7.923
  144   HG23  THR  24          HG23      THR  24  -4.257  -4.623  -7.859
  145    H    CYS  25           H        CYS  25  -1.594  -3.437  -5.130
  146    HA   CYS  25           HA       CYS  25  -0.990  -1.090  -3.581
  147    HB2  CYS  25           HB2      CYS  25  -0.279  -3.340  -2.819
  148    HB3  CYS  25           HB3      CYS  25   0.717  -3.505  -4.261
  149    H    GLN  26           H        GLN  26  -0.490   0.700  -4.673
  150    HA   GLN  26           HA       GLN  26   1.281   0.438  -6.988
  151    HB2  GLN  26           HB2      GLN  26  -0.769   2.574  -6.399
  152    HB3  GLN  26           HB3      GLN  26   0.335   2.591  -7.768
  153    HG2  GLN  26           HG2      GLN  26  -0.664   0.519  -8.602
  154    HG3  GLN  26           HG3      GLN  26  -1.776   0.509  -7.237
  155   HE21  GLN  26          HE21      GLN  26  -3.541   0.593  -8.540
  156   HE22  GLN  26          HE22      GLN  26  -4.008   1.995  -9.435
  157    H    VAL  27           H        VAL  27   3.140   1.405  -6.946
  158    HA   VAL  27           HA       VAL  27   4.077   2.608  -4.522
  159    HB   VAL  27           HB       VAL  27   5.516   2.339  -7.177
  160   HG11  VAL  27          HG11      VAL  27   6.571   3.905  -5.646
  161   HG12  VAL  27          HG12      VAL  27   7.551   2.449  -5.835
  162   HG13  VAL  27          HG13      VAL  27   6.585   2.677  -4.379
  163   HG21  VAL  27          HG21      VAL  27   4.725   0.165  -6.409
  164   HG22  VAL  27          HG22      VAL  27   5.495   0.436  -4.843
  165   HG23  VAL  27          HG23      VAL  27   6.480   0.283  -6.300
  166    H    LEU  28           H        LEU  28   3.686   4.685  -4.126
  167    HA   LEU  28           HA       LEU  28   3.207   6.527  -6.353
  168    HB2  LEU  28           HB2      LEU  28   2.838   6.949  -3.389
  169    HB3  LEU  28           HB3      LEU  28   2.370   8.065  -4.649
  170    HG   LEU  28           HG       LEU  28   1.154   5.354  -4.118
  171   HD11  LEU  28          HD11      LEU  28   0.518   7.044  -2.499
  172   HD12  LEU  28          HD12      LEU  28  -0.841   6.640  -3.550
  173   HD13  LEU  28          HD13      LEU  28   0.055   8.139  -3.800
  174   HD21  LEU  28          HD21      LEU  28   0.477   7.409  -6.214
  175   HD22  LEU  28          HD22      LEU  28  -0.469   5.965  -5.844
  176   HD23  LEU  28          HD23      LEU  28   1.161   5.805  -6.502
  177    H    ASN  29           H        ASN  29   5.193   6.122  -3.502
  178    HA   ASN  29           HA       ASN  29   6.981   8.254  -4.454
  179    HB2  ASN  29           HB2      ASN  29   6.170   7.676  -1.572
  180    HB3  ASN  29           HB3      ASN  29   7.329   8.877  -2.092
  181   HD21  ASN  29          HD21      ASN  29   4.778   9.120  -0.600
  182   HD22  ASN  29          HD22      ASN  29   3.890  10.300  -1.459
  183    HA   PRO  30           HA       PRO  30  10.425   5.438  -3.880
  184    HB2  PRO  30           HB2      PRO  30  11.354   6.955  -1.478
  185    HB3  PRO  30           HB3      PRO  30  12.275   6.432  -2.894
  186    HG2  PRO  30           HG2      PRO  30  11.553   8.959  -2.682
  187    HG3  PRO  30           HG3      PRO  30  11.397   8.130  -4.241
  188    HD2  PRO  30           HD2      PRO  30   9.304   8.820  -2.245
  189    HD3  PRO  30           HD3      PRO  30   9.223   8.882  -4.016
  190    H    TYR  31           H        TYR  31   9.108   6.364  -0.698
  191    HA   TYR  31           HA       TYR  31   9.525   3.596   0.234
  192    HB2  TYR  31           HB2      TYR  31   8.795   6.045   1.857
  193    HB3  TYR  31           HB3      TYR  31   9.235   4.462   2.475
  194    HD1  TYR  31           HD1      TYR  31  11.596   3.771   2.528
  195    HD2  TYR  31           HD2      TYR  31  10.473   7.606   1.075
  196    HE1  TYR  31           HE1      TYR  31  13.926   4.544   2.747
  197    HE2  TYR  31           HE2      TYR  31  12.772   8.374   1.280
  198    HH   TYR  31           HH       TYR  31  15.387   6.295   1.794
  199    H    TYR  32           H        TYR  32   7.091   5.905  -0.601
  200    HA   TYR  32           HA       TYR  32   5.073   4.454   0.898
  201    HB2  TYR  32           HB2      TYR  32   5.183   6.964   0.949
  202    HB3  TYR  32           HB3      TYR  32   4.625   6.942  -0.718
  203    HD1  TYR  32           HD1      TYR  32   3.704   5.862   2.697
  204    HD2  TYR  32           HD2      TYR  32   2.328   6.848  -1.210
  205    HE1  TYR  32           HE1      TYR  32   1.385   5.810   3.507
  206    HE2  TYR  32           HE2      TYR  32   0.018   6.797  -0.403
  207    HH   TYR  32           HH       TYR  32  -0.791   6.783   2.854
  208    H    SER  33           H        SER  33   4.135   2.804   0.036
  209    HA   SER  33           HA       SER  33   3.181   2.978  -2.727
  210    HB2  SER  33           HB2      SER  33   3.736   0.462  -1.095
  211    HB3  SER  33           HB3      SER  33   3.270   0.542  -2.798
  212    HG   SER  33           HG       SER  33   5.424   0.297  -2.844
  213    H    GLN  34           H        GLN  34   0.935   2.726  -2.929
  214    HA   GLN  34           HA       GLN  34  -0.541   2.436  -0.389
  215    HB2  GLN  34           HB2      GLN  34  -0.290   4.789  -0.992
  216    HB3  GLN  34           HB3      GLN  34  -0.976   4.467  -2.575
  217    HG2  GLN  34           HG2      GLN  34  -3.096   3.879  -1.530
  218    HG3  GLN  34           HG3      GLN  34  -2.399   4.200   0.056
  219   HE21  GLN  34          HE21      GLN  34  -2.004   6.331   0.671
  220   HE22  GLN  34          HE22      GLN  34  -2.683   7.662  -0.187
  221    H    CYS  35           H        CYS  35  -2.569   1.413  -0.532
  222    HA   CYS  35           HA       CYS  35  -3.024  -0.138  -2.893
  223    HB2  CYS  35           HB2      CYS  35  -4.721   0.042  -0.398
  224    HB3  CYS  35           HB3      CYS  35  -4.834  -1.114  -1.693
  225    H    LEU  36           H        LEU  36  -3.869   0.755  -4.539
  226    HA   LEU  36           HA       LEU  36  -6.174   2.540  -4.285
  227    HB2  LEU  36           HB2      LEU  36  -4.112   2.300  -6.490
  228    HB3  LEU  36           HB3      LEU  36  -5.519   3.339  -6.536
  229    HG   LEU  36           HG       LEU  36  -3.268   3.614  -4.542
  230   HD11  LEU  36          HD11      LEU  36  -3.890   5.158  -7.049
  231   HD12  LEU  36          HD12      LEU  36  -2.486   4.123  -6.780
  232   HD13  LEU  36          HD13      LEU  36  -2.680   5.613  -5.853
  233   HD21  LEU  36          HD21      LEU  36  -4.307   5.773  -4.066
  234   HD22  LEU  36          HD22      LEU  36  -5.411   4.442  -3.722
  235   HD23  LEU  36          HD23      LEU  36  -5.610   5.398  -5.191
  236    H1   MAN 101           H1       MAN 101   9.908  -3.811  10.017
  237    H2   MAN 101           H2       MAN 101   7.889  -3.919  11.456
  238    H3   MAN 101           H3       MAN 101   6.821  -1.841  10.730
  239    H4   MAN 101           H4       MAN 101   9.103  -0.442  12.225
  240    H5   MAN 101           H5       MAN 101   8.369  -0.538   9.279
  241    H61  MAN 101           H61      MAN 101   9.430   1.565  10.128
  242    H62  MAN 101           H62      MAN 101  10.310   0.741   8.814
  243    HO2  MAN 101           HO2      MAN 101   9.972  -2.213  12.426
  244    HO3  MAN 101           HO3      MAN 101   7.627  -1.724  13.468
  245    HO4  MAN 101           HO4      MAN 101   6.863   0.511  10.739
  246    HO6  MAN 101           HO6      MAN 101  11.413  -0.326  10.788
  Start of MODEL   20
    1    H1   THR   1           H1       THR   1  -6.148  -7.958   5.765
    2    H2   THR   1           H2       THR   1  -4.480  -8.107   5.824
    3    H3   THR   1           H3       THR   1  -5.405  -9.280   5.008
    4    HA   THR   1           HA       THR   1  -4.435  -7.796   3.410
    5    HB   THR   1           HB       THR   1  -6.600  -6.739   2.561
    6    HG1  THR   1           HG1      THR   1  -8.458  -7.555   3.767
    7   HG21  THR   1          HG21      THR   1  -5.874  -8.988   1.857
    8   HG22  THR   1          HG22      THR   1  -7.627  -8.928   2.049
    9   HG23  THR   1          HG23      THR   1  -6.629  -9.679   3.292
   10    H    GLN   2           H        GLN   2  -4.596  -5.475   2.575
   11    HA   GLN   2           HA       GLN   2  -4.430  -3.633   4.847
   12    HB2  GLN   2           HB2      GLN   2  -2.507  -4.232   3.032
   13    HB3  GLN   2           HB3      GLN   2  -3.307  -2.915   2.192
   14    HG2  GLN   2           HG2      GLN   2  -2.007  -2.801   4.912
   15    HG3  GLN   2           HG3      GLN   2  -1.454  -2.030   3.428
   16   HE21  GLN   2          HE21      GLN   2  -2.660  -0.333   2.634
   17   HE22  GLN   2          HE22      GLN   2  -3.692   0.596   3.664
   18    H    SER   3           H        SER   3  -5.569  -1.688   4.715
   19    HA   SER   3           HA       SER   3  -7.986  -1.770   3.208
   20    HB2  SER   3           HB2      SER   3  -6.892   0.327   5.073
   21    HB3  SER   3           HB3      SER   3  -8.558   0.224   4.493
   22    HG   SER   3           HG       SER   3  -8.388  -0.674   6.509
   23    H    HIS   4           H        HIS   4  -8.808  -0.018   1.945
   24    HA   HIS   4           HA       HIS   4  -7.159   0.830  -0.166
   25    HB2  HIS   4           HB2      HIS   4  -9.709   0.458  -0.077
   26    HB3  HIS   4           HB3      HIS   4  -9.805   2.063   0.627
   27    HD1  HIS   4           HD1      HIS   4 -11.295   2.589  -1.521
   28    HD2  HIS   4           HD2      HIS   4  -7.304   1.783  -2.269
   29    HE1  HIS   4           HE1      HIS   4 -10.914   3.230  -3.916
   30    HE2  HIS   4           HE2      HIS   4  -8.657   2.207  -4.363
   31    H    TYR   5           H        TYR   5  -5.989   2.698  -0.467
   32    HA   TYR   5           HA       TYR   5  -5.030   4.651  -0.202
   33    HB2  TYR   5           HB2      TYR   5  -7.465   5.323   1.418
   34    HB3  TYR   5           HB3      TYR   5  -6.156   6.479   1.206
   35    HD1  TYR   5           HD1      TYR   5  -5.728   7.465  -0.976
   36    HD2  TYR   5           HD2      TYR   5  -8.928   4.735  -0.411
   37    HE1  TYR   5           HE1      TYR   5  -6.691   8.158  -3.130
   38    HE2  TYR   5           HE2      TYR   5  -9.898   5.423  -2.561
   39    HH   TYR   5           HH       TYR   5  -9.846   7.144  -4.153
   40    H    GLY   6           H        GLY   6  -4.650   2.417   1.769
   41    HA2  GLY   6           HA2      GLY   6  -3.094   4.037   3.679
   42    HA3  GLY   6           HA3      GLY   6  -3.609   2.375   3.974
   43    H    GLN   7           H        GLN   7  -0.991   2.857   4.311
   44    HA   GLN   7           HA       GLN   7   0.459   2.497   1.852
   45    HB2  GLN   7           HB2      GLN   7   1.401   3.814   3.742
   46    HB3  GLN   7           HB3      GLN   7   1.454   2.355   4.712
   47    HG2  GLN   7           HG2      GLN   7   3.095   1.377   3.199
   48    HG3  GLN   7           HG3      GLN   7   3.014   2.806   2.168
   49   HE21  GLN   7          HE21      GLN   7   5.322   3.223   2.481
   50   HE22  GLN   7          HE22      GLN   7   5.838   3.825   3.991
   51    H    CYS   8           H        CYS   8   0.871   0.660   0.902
   52    HA   CYS   8           HA       CYS   8   0.078  -1.854   2.214
   53    HB2  CYS   8           HB2      CYS   8   0.036  -2.719  -0.084
   54    HB3  CYS   8           HB3      CYS   8  -1.043  -1.349   0.179
   55    H    GLY   9           H        GLY   9   2.865  -0.297   1.928
   56    HA2  GLY   9           HA2      GLY   9   4.699  -1.700   2.839
   57    HA3  GLY   9           HA3      GLY   9   4.247  -2.880   1.622
   58    H    GLY  10           H        GLY  10   5.766   0.106   2.273
   59    HA2  GLY  10           HA2      GLY  10   7.072  -0.027  -0.343
   60    HA3  GLY  10           HA3      GLY  10   6.924   1.443   0.635
   61    H    ILE  11           H        ILE  11   9.350   1.260   0.255
   62    HA   ILE  11           HA       ILE  11  10.869  -0.658   1.639
   63    HB   ILE  11           HB       ILE  11  11.664   2.237   1.156
   64   HG12  ILE  11          HG12      ILE  11  12.021  -0.137  -0.698
   65   HG13  ILE  11          HG13      ILE  11  10.845   1.146  -0.920
   66   HG21  ILE  11          HG21      ILE  11  13.324  -0.272   1.472
   67   HG22  ILE  11          HG22      ILE  11  13.153   1.018   2.663
   68   HG23  ILE  11          HG23      ILE  11  13.955   1.339   1.125
   69   HD11  ILE  11          HD11      ILE  11  13.834   1.484  -0.923
   70   HD12  ILE  11          HD12      ILE  11  12.652   2.773  -1.154
   71   HD13  ILE  11          HD13      ILE  11  12.786   1.475  -2.342
   72    H    GLY  12           H        GLY  12  11.045  -0.962   3.775
   73    HA2  GLY  12           HA2      GLY  12  11.620  -0.181   5.961
   74    HA3  GLY  12           HA3      GLY  12  10.855   1.354   5.575
   75    H    TYR  13           H        TYR  13   8.559  -0.130   4.397
   76    HA   TYR  13           HA       TYR  13   7.025  -0.282   6.832
   77    HB2  TYR  13           HB2      TYR  13   6.076   0.784   4.847
   78    HB3  TYR  13           HB3      TYR  13   6.185  -0.701   3.940
   79    HD1  TYR  13           HD1      TYR  13   4.239   1.287   6.184
   80    HD2  TYR  13           HD2      TYR  13   4.653  -2.670   4.696
   81    HE1  TYR  13           HE1      TYR  13   1.958   0.788   6.902
   82    HE2  TYR  13           HE2      TYR  13   2.370  -3.186   5.403
   83    HH   TYR  13           HH       TYR  13   0.153  -0.880   6.123
   84    H    SER  14           H        SER  14   6.502  -2.078   7.879
   85    HA   SER  14           HA       SER  14   7.038  -4.668   6.590
   86    HB2  SER  14           HB2      SER  14   7.457  -4.055   9.501
   87    HB3  SER  14           HB3      SER  14   8.123  -5.396   8.556
   88    H    GLY  15           H        GLY  15   4.854  -5.223   6.238
   89    HA2  GLY  15           HA2      GLY  15   3.351  -6.201   8.357
   90    HA3  GLY  15           HA3      GLY  15   2.777  -4.574   8.011
   91    HA   PRO  16           HA       PRO  16   0.208  -7.119   5.268
   92    HB2  PRO  16           HB2      PRO  16  -1.420  -4.720   5.034
   93    HB3  PRO  16           HB3      PRO  16  -1.867  -6.296   5.674
   94    HG2  PRO  16           HG2      PRO  16  -1.585  -4.104   7.246
   95    HG3  PRO  16           HG3      PRO  16  -1.253  -5.749   7.814
   96    HD2  PRO  16           HD2      PRO  16   0.653  -3.614   6.964
   97    HD3  PRO  16           HD3      PRO  16   0.780  -4.801   8.283
   98    H    THR  17           H        THR  17   0.846  -7.329   3.239
   99    HA   THR  17           HA       THR  17   1.437  -4.913   1.726
  100    HB   THR  17           HB       THR  17   2.789  -6.495   0.300
  101    HG1  THR  17           HG1      THR  17   2.693  -8.506   0.792
  102   HG21  THR  17          HG21      THR  17   3.819  -4.979   1.910
  103   HG22  THR  17          HG22      THR  17   4.678  -6.524   1.902
  104   HG23  THR  17          HG23      THR  17   3.546  -6.142   3.202
  105    H    VAL  18           H        VAL  18  -0.700  -7.540   1.948
  106    HA   VAL  18           HA       VAL  18  -1.484  -7.353  -0.857
  107    HB   VAL  18           HB       VAL  18  -2.501  -9.244   1.299
  108   HG11  VAL  18          HG11      VAL  18  -4.133  -8.900  -0.475
  109   HG12  VAL  18          HG12      VAL  18  -3.456 -10.529  -0.568
  110   HG13  VAL  18          HG13      VAL  18  -2.914  -9.283  -1.690
  111   HG21  VAL  18          HG21      VAL  18  -1.166 -10.978   0.177
  112   HG22  VAL  18          HG22      VAL  18  -0.151  -9.684   0.813
  113   HG23  VAL  18          HG23      VAL  18  -0.504  -9.759  -0.912
  114    H    CYS  19           H        CYS  19  -2.929  -5.837  -1.274
  115    HA   CYS  19           HA       CYS  19  -4.453  -4.613   0.798
  116    HB2  CYS  19           HB2      CYS  19  -4.550  -4.204  -2.191
  117    HB3  CYS  19           HB3      CYS  19  -5.225  -3.137  -0.965
  118    H    ALA  20           H        ALA  20  -6.818  -4.220   0.461
  119    HA   ALA  20           HA       ALA  20  -8.267  -6.609   0.503
  120    HB1  ALA  20           HB1      ALA  20  -8.974  -4.559   1.649
  121    HB2  ALA  20           HB2      ALA  20 -10.247  -5.182   0.603
  122    HB3  ALA  20           HB3      ALA  20  -9.285  -3.796   0.091
  123    H    SER  21           H        SER  21 -10.132  -7.136  -0.916
  124    HA   SER  21           HA       SER  21  -9.336  -7.600  -3.527
  125    HB2  SER  21           HB2      SER  21 -12.127  -7.607  -2.375
  126    HB3  SER  21           HB3      SER  21 -11.562  -8.510  -3.782
  127    HG   SER  21           HG       SER  21 -10.442  -9.833  -2.545
  128    H    GLY  22           H        GLY  22  -9.267  -6.247  -5.194
  129    HA2  GLY  22           HA2      GLY  22 -10.374  -4.850  -6.770
  130    HA3  GLY  22           HA3      GLY  22 -11.356  -4.214  -5.456
  131    H    THR  23           H        THR  23  -8.394  -4.346  -4.161
  132    HA   THR  23           HA       THR  23  -7.684  -1.705  -5.206
  133    HB   THR  23           HB       THR  23  -6.826  -1.075  -2.950
  134    HG1  THR  23           HG1      THR  23  -7.509  -3.744  -2.383
  135   HG21  THR  23          HG21      THR  23  -9.145  -0.535  -3.489
  136   HG22  THR  23          HG22      THR  23  -8.962  -0.905  -1.776
  137   HG23  THR  23          HG23      THR  23  -9.663  -2.101  -2.871
  138    H    THR  24           H        THR  24  -5.495  -1.312  -5.574
  139    HA   THR  24           HA       THR  24  -3.844  -3.735  -5.493
  140    HB   THR  24           HB       THR  24  -2.697  -2.736  -7.525
  141    HG1  THR  24           HG1      THR  24  -4.807  -0.890  -7.210
  142   HG21  THR  24          HG21      THR  24  -4.413  -3.586  -9.083
  143   HG22  THR  24          HG22      THR  24  -5.593  -3.563  -7.773
  144   HG23  THR  24          HG23      THR  24  -4.204  -4.647  -7.693
  145    H    CYS  25           H        CYS  25  -1.720  -3.540  -4.900
  146    HA   CYS  25           HA       CYS  25  -1.068  -1.203  -3.348
  147    HB2  CYS  25           HB2      CYS  25  -0.506  -3.420  -2.471
  148    HB3  CYS  25           HB3      CYS  25   0.497  -3.738  -3.882
  149    H    GLN  26           H        GLN  26  -0.603   0.511  -4.632
  150    HA   GLN  26           HA       GLN  26   1.328   0.097  -6.801
  151    HB2  GLN  26           HB2      GLN  26  -0.577   2.402  -6.355
  152    HB3  GLN  26           HB3      GLN  26   0.499   2.204  -7.729
  153    HG2  GLN  26           HG2      GLN  26  -0.730   0.175  -8.378
  154    HG3  GLN  26           HG3      GLN  26  -1.817   0.416  -7.015
  155   HE21  GLN  26          HE21      GLN  26  -3.605   0.624  -8.312
  156   HE22  GLN  26          HE22      GLN  26  -3.903   2.010  -9.288
  157    H    VAL  27           H        VAL  27   3.244   1.034  -6.719
  158    HA   VAL  27           HA       VAL  27   4.069   2.339  -4.307
  159    HB   VAL  27           HB       VAL  27   5.585   1.847  -6.896
  160   HG11  VAL  27          HG11      VAL  27   6.600   3.632  -5.580
  161   HG12  VAL  27          HG12      VAL  27   7.613   2.186  -5.554
  162   HG13  VAL  27          HG13      VAL  27   6.616   2.591  -4.158
  163   HG21  VAL  27          HG21      VAL  27   4.853  -0.233  -5.874
  164   HG22  VAL  27          HG22      VAL  27   5.542   0.265  -4.329
  165   HG23  VAL  27          HG23      VAL  27   6.599  -0.049  -5.705
  166    H    LEU  28           H        LEU  28   3.771   4.418  -3.982
  167    HA   LEU  28           HA       LEU  28   3.246   6.182  -6.265
  168    HB2  LEU  28           HB2      LEU  28   2.860   6.690  -3.314
  169    HB3  LEU  28           HB3      LEU  28   2.360   7.750  -4.611
  170    HG   LEU  28           HG       LEU  28   1.204   5.039  -3.968
  171   HD11  LEU  28          HD11      LEU  28   0.116   7.827  -3.720
  172   HD12  LEU  28          HD12      LEU  28   0.528   6.734  -2.396
  173   HD13  LEU  28          HD13      LEU  28  -0.813   6.353  -3.475
  174   HD21  LEU  28          HD21      LEU  28   0.464   7.014  -6.109
  175   HD22  LEU  28          HD22      LEU  28  -0.440   5.553  -5.686
  176   HD23  LEU  28          HD23      LEU  28   1.186   5.418  -6.360
  177    H    ASN  29           H        ASN  29   5.022   6.138  -3.223
  178    HA   ASN  29           HA       ASN  29   6.899   8.157  -4.281
  179    HB2  ASN  29           HB2      ASN  29   6.297   7.491  -1.358
  180    HB3  ASN  29           HB3      ASN  29   7.393   8.718  -1.925
  181   HD21  ASN  29          HD21      ASN  29   4.151   8.238  -3.194
  182   HD22  ASN  29          HD22      ASN  29   3.467   9.671  -2.544
  183    HA   PRO  30           HA       PRO  30  10.192   5.122  -3.845
  184    HB2  PRO  30           HB2      PRO  30  11.371   6.602  -1.537
  185    HB3  PRO  30           HB3      PRO  30  12.143   6.020  -3.017
  186    HG2  PRO  30           HG2      PRO  30  11.596   8.594  -2.737
  187    HG3  PRO  30           HG3      PRO  30  11.335   7.783  -4.293
  188    HD2  PRO  30           HD2      PRO  30   9.356   8.603  -2.224
  189    HD3  PRO  30           HD3      PRO  30   9.213   8.647  -3.995
  190    H    TYR  31           H        TYR  31   9.024   6.232  -0.662
  191    HA   TYR  31           HA       TYR  31   9.275   3.474   0.304
  192    HB2  TYR  31           HB2      TYR  31   8.964   6.033   1.911
  193    HB3  TYR  31           HB3      TYR  31   9.124   4.418   2.571
  194    HD1  TYR  31           HD1      TYR  31  10.915   7.103   0.759
  195    HD2  TYR  31           HD2      TYR  31  11.239   3.406   2.806
  196    HE1  TYR  31           HE1      TYR  31  13.351   7.365   0.844
  197    HE2  TYR  31           HE2      TYR  31  13.669   3.646   2.890
  198    HH   TYR  31           HH       TYR  31  15.446   4.817   1.670
  199    H    TYR  32           H        TYR  32   6.999   5.946  -0.486
  200    HA   TYR  32           HA       TYR  32   4.918   4.631   1.058
  201    HB2  TYR  32           HB2      TYR  32   5.141   7.199   0.845
  202    HB3  TYR  32           HB3      TYR  32   4.482   6.964  -0.760
  203    HD1  TYR  32           HD1      TYR  32   3.743   6.138   2.767
  204    HD2  TYR  32           HD2      TYR  32   2.183   7.026  -1.091
  205    HE1  TYR  32           HE1      TYR  32   1.481   6.207   3.711
  206    HE2  TYR  32           HE2      TYR  32  -0.087   7.097  -0.150
  207    HH   TYR  32           HH       TYR  32  -1.322   6.380   1.710
  208    H    SER  33           H        SER  33   3.975   2.955   0.241
  209    HA   SER  33           HA       SER  33   3.136   2.937  -2.572
  210    HB2  SER  33           HB2      SER  33   3.532   0.589  -0.678
  211    HB3  SER  33           HB3      SER  33   3.188   0.501  -2.408
  212    HG   SER  33           HG       SER  33   5.417   0.185  -1.800
  213    H    GLN  34           H        GLN  34   0.849   2.589  -2.826
  214    HA   GLN  34           HA       GLN  34  -0.624   2.374  -0.308
  215    HB2  GLN  34           HB2      GLN  34  -0.362   4.745  -0.758
  216    HB3  GLN  34           HB3      GLN  34  -1.027   4.538  -2.367
  217    HG2  GLN  34           HG2      GLN  34  -3.180   4.025  -1.478
  218    HG3  GLN  34           HG3      GLN  34  -2.545   3.980   0.163
  219   HE21  GLN  34          HE21      GLN  34  -3.559   5.993  -2.437
  220   HE22  GLN  34          HE22      GLN  34  -3.463   7.490  -1.587
  221    H    CYS  35           H        CYS  35  -2.597   1.386  -0.417
  222    HA   CYS  35           HA       CYS  35  -3.165  -0.210  -2.697
  223    HB2  CYS  35           HB2      CYS  35  -4.955   0.300  -0.314
  224    HB3  CYS  35           HB3      CYS  35  -5.016  -1.012  -1.458
  225    H    LEU  36           H        LEU  36  -3.999   0.631  -4.415
  226    HA   LEU  36           HA       LEU  36  -6.136   2.610  -4.210
  227    HB2  LEU  36           HB2      LEU  36  -4.110   2.149  -6.395
  228    HB3  LEU  36           HB3      LEU  36  -5.471   3.243  -6.516
  229    HG   LEU  36           HG       LEU  36  -3.197   3.525  -4.550
  230   HD11  LEU  36          HD11      LEU  36  -2.474   3.907  -6.833
  231   HD12  LEU  36          HD12      LEU  36  -2.539   5.422  -5.927
  232   HD13  LEU  36          HD13      LEU  36  -3.814   5.026  -7.081
  233   HD21  LEU  36          HD21      LEU  36  -4.161   5.769  -4.183
  234   HD22  LEU  36          HD22      LEU  36  -5.240   4.476  -3.669
  235   HD23  LEU  36          HD23      LEU  36  -5.537   5.321  -5.190
  236    H1   MAN 101           H1       MAN 101   9.505  -3.486  10.220
  237    H2   MAN 101           H2       MAN 101  10.479  -1.630   8.596
  238    H3   MAN 101           H3       MAN 101  12.548  -1.959   7.750
  239    H4   MAN 101           H4       MAN 101  12.889  -4.305   6.843
  240    H5   MAN 101           H5       MAN 101  10.514  -5.578   7.290
  241    H61  MAN 101           H61      MAN 101  12.820  -6.527   7.316
  242    H62  MAN 101           H62      MAN 101  11.713  -7.246   8.519
  243    HO2  MAN 101           HO2      MAN 101  11.856  -2.866  10.761
  244    HO3  MAN 101           HO3      MAN 101  13.029  -4.051   9.612
  245    HO4  MAN 101           HO4      MAN 101  11.575  -2.772   5.822
  246    HO6  MAN 101           HO6      MAN 101  12.594  -5.884  10.074