*HEADER    HYDROLASE                               04-FEB-17   5X3C              
*TITLE     SOLUTION STRUCTURE OF THE FAMILY 1 CARBOHYDRATE-BINDING MODULE Y5A    
*TITLE    2 MUTANT WITH MANNOSYLATED SER3                                        
*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;                                                     
*COMPND   9 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: TRICHODERMA REESEI;                             
*SOURCE   4 ORGANISM_TAXID: 51453                                                
*KEYWDS    CARBOHYDRATE BINDING, HYDROLASE                                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Y.FENG,Z.TAN                                                          
*REVDAT   1   31-MAY-17 5X3C    0                                                
# Restraints file 1: all.tbl
assign (resid   24 and name   HN) (resid   36 and name   HN) 2.65 0.85 0.85 ! 0.9853    0:1  Long   2.58, 2.80 A
assign (resid   13 and name   HN) (resid   12 and name   HN) 2.65 0.85 0.85 ! 0.9837    1:1  Seq    1.97, 2.25 A
assign (resid   23 and name   HN) (resid   22 and name   HN) 2.65 0.85 0.85 ! 0.0000    2:1  Seq    2.22, 2.37 A
assign (resid   32 and name   HN) (resid   31 and name   HN) 2.30 0.50 0.50 ! 0.9402    3:1  Seq    1.91, 2.06 A
assign (resid   31 and name  HD*) (resid   31 and name   HN) 2.65 0.85 0.85 ! 0.0000    4:1  Intra  2.17, 3.75 A
assign (resid   18 and name   HN) (resid   17 and name   HN) 2.65 0.85 0.85 ! 0.9435    5:1  Seq    2.19, 2.51 A
assign (resid   12 and name   HN) (resid   13 and name   HN) 2.65 0.85 0.85 ! 0.9866    6:1  Seq    1.97, 2.25 A
assign (resid   22 and name   HN) (resid   23 and name   HN) 2.65 0.85 0.85 ! 0.0000    7:1  Seq    2.22, 2.37 A
assign (resid   31 and name   HN) (resid   32 and name   HN) 2.30 0.50 0.50 ! 0.9404    8:1  Seq    1.91, 2.06 A
assign (resid    9 and name   HN) (resid    8 and name   HN) 2.30 0.50 0.50 ! 0.9980   12:1  Seq    2.08, 2.17 A
assign (resid   31 and name   HN) (resid   31 and name  HD*) 2.65 0.85 0.85 ! 0.6828   14:1  Ambig  2.17, 3.75 A
    or (resid   10 and name   HN) (resid    7 and name HE21)                ! 0.3139   14:1  -----  2.47, 2.99 A
assign (resid   17 and name   HN) (resid   18 and name   HN) 2.65 0.85 0.85 ! 0.9989   15:1  Seq    2.19, 2.51 A
assign (resid   14 and name   HN) (resid   13 and name  HD*) 3.65 1.85 1.85 ! 0.9164   16:1  Seq    3.22, 4.36 A
assign (resid   31 and name  HE*) (resid   31 and name  HD*) 2.30 0.50 0.50 ! 0.0000   28:1  Intra  2.41, 3.68 A
assign (resid   32 and name  HE*) (resid   32 and name  HD*) 2.30 0.50 0.50 ! 0.9888   30:1  Intra  2.44, 3.68 A
assign (resid   13 and name  HE*) (resid   13 and name  HD*) 2.30 0.50 0.50 ! 0.9797   31:1  Intra  2.44, 3.68 A
assign (resid    8 and name   HN) (resid    9 and name   HN) 2.30 0.50 0.50 ! 0.9980   32:1  Seq    2.08, 2.17 A
assign (resid   31 and name  HD*) (resid   31 and name  HE*) 2.30 0.50 0.50 ! 0.0000   36:1  Intra  2.41, 3.68 A
assign (resid   32 and name  HD*) (resid   32 and name  HE*) 2.30 0.50 0.50 ! 0.9888   38:1  Intra  2.44, 3.68 A
assign (resid   13 and name  HD*) (resid   13 and name  HE*) 2.30 0.50 0.50 ! 0.0000   39:1  Intra  2.44, 3.68 A
assign (resid   24 and name   HN) (resid   35 and name   HA) 3.65 1.85 1.85 ! 0.0000   40:1  Long   3.81, 4.07 A
assign (resid   24 and name   HN) (resid   23 and name   HA) 2.65 0.85 0.85 ! 0.0000   41:1  Seq    2.16, 2.27 A
assign (resid   34 and name   HN) (resid   33 and name   HA) 2.30 0.50 0.50 ! 0.9986   42:1  Seq    2.25, 2.30 A
assign (resid   36 and name   HN) (resid   35 and name   HA) 2.30 0.50 0.50 ! 0.8821   43:1  Seq    2.05, 2.09 A
assign (resid   34 and name   HN) (resid   34 and name   HA) 3.65 1.85 1.85 ! 0.0000   44:1  Intra  2.88, 2.91 A
assign (resid   36 and name   HN) (resid   23 and name   HA) 3.15 1.35 1.35 ! 0.5181   45:1  Ambig  4.11, 4.45 A
    or (resid   26 and name   HN) (resid   34 and name   HA)                ! 0.3769   45:1  -----  4.33, 4.50 A
assign (resid    3 and name   HN) (resid  101 and name   H1) 3.65 1.85 1.85 ! 0.9605   46:1  Long   2.17, 3.96 A
assign (resid   28 and name   HN) (resid   33 and name   HA) 2.30 0.50 0.50 ! 0.9858   47:1  Long   1.90, 1.99 A
assign (resid   14 and name   HN) (resid   15 and name   HN) 2.65 0.85 0.85 ! 0.0000   48:1  Seq    2.18, 2.39 A
assign (resid   35 and name   HN) (resid   35 and name   HA) 3.15 1.35 1.35 ! 0.0000   49:1  Intra  2.84, 2.87 A
assign (resid   29 and name   HN) (resid   29 and name   HA) 2.65 0.85 0.85 ! 0.7742   51:1  Ambig  2.90, 2.91 A
    or (resid   31 and name   HN) (resid   29 and name   HA)                ! 0.1318   51:1  -----  3.90, 4.15 A
assign (resid   23 and name   HN) (resid   23 and name   HA) 3.15 1.35 1.35 ! 0.9826   54:1  Intra  2.91, 2.92 A
assign (resid    8 and name   HN) (resid    8 and name   HA) 3.15 1.35 1.35 ! 0.8801   55:1  Intra  2.93, 2.95 A
assign (resid   29 and name HD21) (resid   29 and name   HA) 3.65 1.85 1.85 ! 0.0000   56:1  Intra  2.97, 3.97 A
assign (resid    9 and name   HN) (resid    8 and name   HA) 3.15 1.35 1.35 ! 0.8026   58:1  Seq    3.46, 3.53 A
assign (resid   13 and name  HE*) (resid    8 and name   HA) 2.65 0.85 0.85 ! 0.9300   59:1  Long   2.30, 4.13 A
assign (resid   24 and name   HN) (resid   24 and name   HA) 2.65 0.85 0.85 ! 0.8440   61:1  Intra  2.91, 2.93 A
assign (resid   26 and name   HN) (resid   25 and name   HA) 2.30 0.50 0.50 ! 0.9245   62:1  Seq    2.12, 2.15 A
assign (resid   12 and name   HN) (resid   12 and name  HA1) 2.65 0.85 0.85 ! 0.9140   63:1  Intra  2.91, 2.93 A
assign (resid    3 and name   HN) (resid    2 and name   HA) 2.30 0.50 0.50 ! 0.5822   64:1  Ambig  2.08, 2.25 A
    or (resid    4 and name   HN) (resid    3 and name   HA)                ! 0.3336   64:1  -----  2.29, 2.54 A
assign (resid   27 and name   HN) (resid   26 and name   HA) 2.30 0.50 0.50 ! 0.9683   65:1  Seq    1.99, 2.04 A
assign (resid   25 and name   HN) (resid   24 and name   HA) 2.30 0.50 0.50 ! 0.8580   67:1  Seq    2.11, 2.26 A
assign (resid    5 and name   HN) (resid    4 and name   HA) 2.30 0.50 0.50 ! 0.0000   68:1  Seq    2.09, 2.13 A
assign (resid    4 and name   HN) (resid    4 and name   HA) 3.15 1.35 1.35 ! 0.9714   69:1  Intra  2.74, 2.78 A
assign (resid   31 and name   HN) (resid   31 and name   HA) 2.65 0.85 0.85 ! 0.9460   70:1  Intra  2.90, 2.92 A
assign (resid   22 and name   HN) (resid   22 and name  HA1) 2.65 0.85 0.85 ! 0.0000   71:1  Intra  2.92, 2.93 A
assign (resid   10 and name   HN) (resid    9 and name  HA2) 2.30 0.50 0.50 ! 0.9518   72:1  Seq    2.72, 2.79 A
assign (resid   22 and name   HN) (resid   21 and name   HA) 2.30 0.50 0.50 ! 0.0000   73:1  Seq    2.08, 2.15 A
assign (resid    5 and name   HN) (resid    5 and name   HA) 2.65 0.85 0.85 ! 0.0000   74:1  Intra  2.20, 2.23 A
assign (resid   21 and name   HN) (resid   19 and name   HA) 4.15 2.35 2.35 ! 0.5591   75:1  Ambig  5.81, 6.23 A
    or (resid   35 and name   HN) (resid   19 and name   HA)                ! 0.4409   75:1  -----  6.04, 6.25 A
assign (resid   17 and name   HN) (resid   17 and name   HA) 3.15 1.35 1.35 ! 0.0000   76:1  Intra  2.85, 2.88 A
assign (resid   14 and name   HN) (resid   13 and name   HA) 2.30 0.50 0.50 ! 0.9944   78:1  Seq    2.13, 2.19 A
assign (resid   17 and name   HN) (resid   16 and name   HA) 2.30 0.50 0.50 ! 0.9893   80:1  Seq    2.12, 2.17 A
assign (resid   14 and name   HN) (resid   14 and name   HA) 3.15 1.35 1.35 ! 0.0000   81:1  Intra  2.86, 2.90 A
assign (resid   11 and name   HN) (resid   31 and name   HA) 2.30 0.50 0.50 ! 0.0000   85:1  Long   1.79, 2.04 A
assign (resid   11 and name   HN) (resid   10 and name  HA2) 2.65 0.85 0.85 ! 0.9854   86:1  Seq    2.34, 2.42 A
assign (resid    7 and name   HN) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.0000   88:1  Intra  2.81, 2.85 A
assign (resid   21 and name   HN) (resid   20 and name   HA) 2.30 0.50 0.50 ! 0.9829   90:1  Seq    2.10, 2.28 A
assign (resid   19 and name   HN) (resid   18 and name   HA) 2.30 0.50 0.50 ! 0.7396   91:1  Ambig  2.06, 2.14 A
    or (resid    2 and name   HN) (resid    1 and name   HB)                ! 0.2421   91:1  -----  2.49, 3.76 A
assign (resid   20 and name   HN) (resid   19 and name   HA) 3.15 1.35 1.35 ! 0.0000   92:1  Seq    2.19, 2.29 A
assign (resid   23 and name   HN) (resid   22 and name  HA1) 3.15 1.35 1.35 ! 0.0000   94:1  Seq    3.02, 3.14 A
assign (resid   23 and name   HN) (resid   21 and name   HA) 3.15 1.35 1.35 ! 0.9867   98:1  Mid    3.05, 3.33 A
assign (resid   20 and name   HN) (resid   20 and name   HA) 2.65 0.85 0.85 ! 0.5584   99:1  Ambig  2.76, 2.81 A
    or (resid   20 and name   HN) (resid    1 and name   HB)                ! 0.4367   99:1  -----  2.88, 4.76 A
assign (resid   13 and name   HN) (resid   13 and name   HA) 2.65 0.85 0.85 ! 0.5368  100:1  Ambig  2.79, 2.83 A
    or (resid   32 and name   HN) (resid   32 and name   HA)                ! 0.4397  100:1  -----  2.88, 2.90 A
assign (resid   32 and name   HN) (resid   31 and name   HA) 3.15 1.35 1.35 ! 0.8953  102:1  Seq    3.41, 3.48 A
assign (resid    8 and name   HN) (resid    7 and name   HA) 2.30 0.50 0.50 ! 0.9033  103:1  Seq    2.02, 2.09 A
assign (resid   34 and name HE21) (resid    5 and name   HA) 3.65 1.85 1.85 ! 0.0000  104:1  Long   1.93, 2.73 A
assign (resid    7 and name HE21) (resid   32 and name   HA) 3.15 1.35 1.35 ! 0.9688  105:1  Long   2.04, 3.02 A
assign (resid   32 and name  HD*) (resid   32 and name   HA) 2.65 0.85 0.85 ! 0.7374  106:1  Ambig  2.54, 3.49 A
    or (resid    7 and name HE22) (resid   32 and name   HA)                ! 0.1871  106:1  -----  3.20, 3.79 A
assign (resid   13 and name  HD*) (resid   13 and name   HA) 2.65 0.85 0.85 ! 0.9732  107:1  Intra  2.31, 3.47 A
assign (resid   18 and name   HN) (resid   16 and name   HA) 3.65 1.85 1.85 ! 0.0000  108:1  Mid    3.15, 3.48 A
assign (resid    4 and name  HD2) (resid   36 and name   HA) 3.15 1.35 1.35 ! 0.0000  109:1  Long   2.02, 2.23 A
assign (resid   31 and name  HD*) (resid   31 and name   HA) 2.65 0.85 0.85 ! 0.0000  110:1  Intra  2.61, 3.52 A
assign (resid    7 and name HE21) (resid   10 and name  HA2) 3.65 1.85 1.85 ! 0.8349  111:1  Mid    3.88, 4.21 A
assign (resid   13 and name  HD*) (resid    9 and name  HA2) 2.65 0.85 0.85 ! 0.9939  112:1  Mid    2.51, 4.51 A
assign (resid   18 and name   HN) (resid   18 and name   HA) 3.15 1.35 1.35 ! 0.9788  113:1  Intra  2.86, 2.90 A
assign (resid   33 and name   HN) (resid   32 and name   HA) 2.30 0.50 0.50 ! 0.9988  114:1  Seq    2.04, 2.08 A
assign (resid   32 and name  HE*) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.0000  115:1  Long   3.23, 4.67 A
assign (resid    9 and name   HN) (resid    9 and name  HA2) 2.65 0.85 0.85 ! 0.7970  116:1  Ambig  2.90, 2.93 A
    or (resid    9 and name   HN) (resid    7 and name   HA)                ! 0.2030  116:1  -----  3.64, 3.79 A
assign (resid   13 and name  HE*) (resid   17 and name   HA) 3.65 1.85 1.85 ! 0.0000  117:1  Mid    2.11, 5.01 A
assign (resid   13 and name  HE*) (resid   17 and name   HB) 3.65 1.85 1.85 ! 0.5722  118:1  Ambig  4.25, 7.16 A
    or (resid   13 and name  HE*) (resid   13 and name   HA)                ! 0.3625  118:1  -----  4.59, 5.30 A
assign (resid   13 and name  HE*) (resid    9 and name  HA2) 3.65 1.85 1.85 ! 0.8662  119:1  Mid    4.23, 5.89 A
assign (resid   24 and name   HN) (resid   24 and name   HB) 3.15 1.35 1.35 ! 0.0000  120:1  Intra  3.65, 3.70 A
assign (resid   34 and name   HN) (resid   27 and name   HA) 3.65 1.85 1.85 ! 0.9791  121:1  Long   3.88, 4.02 A
assign (resid   36 and name   HN) (resid   23 and name   HB) 2.65 0.85 0.85 ! 0.9817  122:1  Long   3.07, 3.24 A
assign (resid   12 and name   HN) (resid   11 and name   HA) 2.30 0.50 0.50 ! 0.9922  123:1  Seq    2.09, 2.12 A
assign (resid   12 and name   HN) (resid   12 and name  HA2) 2.65 0.85 0.85 ! 0.9990  124:1  Intra  2.37, 2.42 A
assign (resid   34 and name   HN) (resid   33 and name  HB1) 2.65 0.85 0.85 ! 0.0000  125:1  Seq    3.09, 3.23 A
assign (resid    6 and name   HN) (resid    5 and name   HA) 2.65 0.85 0.85 ! 0.8180  126:1  Seq    2.15, 3.05 A
assign (resid   28 and name   HN) (resid   27 and name   HA) 2.30 0.50 0.50 ! 0.8389  127:1  Seq    2.16, 2.23 A
assign (resid   25 and name   HN) (resid   24 and name   HB) 2.65 0.85 0.85 ! 0.0000  128:1  Seq    2.71, 2.92 A
assign (resid    4 and name   HN) (resid    3 and name  HB2) 3.15 1.35 1.35 ! 0.7587  129:1  Ambig  2.00, 2.76 A
    or (resid    3 and name   HN) (resid    3 and name  HB2)                ! 0.2413  129:1  -----  2.43, 3.07 A
assign (resid   22 and name   HN) (resid   21 and name  HB*) 3.15 1.35 1.35 ! 0.0000  130:1  Seq    3.00, 3.76 A
assign (resid   10 and name   HN) (resid   10 and name  HA1) 2.30 0.50 0.50 ! 0.9002  131:1  Intra  2.26, 2.29 A
assign (resid    4 and name   HN) (resid    3 and name  HB1) 2.65 0.85 0.85 ! 0.7168  132:1  Ambig  1.96, 2.99 A
    or (resid    3 and name   HN) (resid    3 and name  HB1)                ! 0.1535  132:1  -----  2.54, 3.22 A
assign (resid    6 and name   HN) (resid    6 and name  HA1) 2.65 0.85 0.85 ! 0.0000  133:1  Intra  2.29, 2.40 A
assign (resid   22 and name   HN) (resid   22 and name  HA2) 2.65 0.85 0.85 ! 0.0000  134:1  Intra  2.36, 2.41 A
assign (resid    3 and name   HN) (resid  101 and name   H5) 3.65 1.85 1.85 ! 0.6679  135:1  Ambig  2.56, 4.79 A
    or (resid    4 and name   HN) (resid  101 and name   H5)                ! 0.2909  135:1  -----  2.94, 5.74 A
assign (resid    7 and name   HN) (resid    6 and name  HA2) 2.65 0.85 0.85 ! 0.9970  136:1  Seq    2.24, 2.32 A
assign (resid   21 and name   HN) (resid   21 and name  HB*) 2.65 0.85 0.85 ! 0.0000  139:1  Intra  2.43, 3.02 A
assign (resid   11 and name   HN) (resid   10 and name  HA1) 2.30 0.50 0.50 ! 0.4433  141:1  Ambig  2.78, 2.90 A
    or (resid   11 and name   HN) (resid   11 and name   HA)                ! 0.4173  141:1  -----  2.81, 2.83 A
assign (resid   35 and name   HN) (resid    6 and name  HA1) 3.65 1.85 1.85 ! 0.0000  142:1  Long   4.10, 4.34 A
assign (resid    7 and name   HN) (resid    6 and name  HA1) 2.65 0.85 0.85 ! 0.0000  143:1  Seq    2.79, 2.94 A
assign (resid   31 and name   HN) (resid   30 and name  HD2) 3.15 1.35 1.35 ! 0.9868  144:1  Seq    2.19, 2.43 A
assign (resid   19 and name   HN) (resid   19 and name  HB1) 3.15 1.35 1.35 ! 0.7053  145:1  Ambig  3.57, 3.62 A
    or (resid    2 and name   HN) (resid   19 and name  HB1)                ! 0.1347  145:1  -----  4.70, 5.10 A
assign (resid   14 and name   HN) (resid   14 and name  HB1) 3.15 1.35 1.35 ! 0.9453  146:1  Intra  2.69, 2.99 A
assign (resid   20 and name   HN) (resid    3 and name  HB2) 4.15 2.35 2.35 ! 0.0000  149:1  Long   4.77, 5.88 A
assign (resid   23 and name   HN) (resid   23 and name   HB) 3.15 1.35 1.35 ! 0.9415  150:1  Intra  3.76, 3.80 A
assign (resid   23 and name   HN) (resid   22 and name  HA2) 3.15 1.35 1.35 ! 0.9203  152:1  Seq    3.24, 3.39 A
assign (resid   20 and name   HN) (resid   19 and name  HB1) 3.15 1.35 1.35 ! 0.9746  153:1  Seq    2.42, 2.63 A
assign (resid   13 and name   HN) (resid   11 and name   HA) 2.65 0.85 0.85 ! 0.6407  154:1  Ambig  3.09, 3.24 A
    or (resid   13 and name   HN) (resid   10 and name  HA1)                ! 0.1368  154:1  -----  4.00, 4.23 A
    or (resid   32 and name   HN) (resid   10 and name  HA1)                ! 0.1043  154:1  -----  4.19, 4.32 A
assign (resid   13 and name   HN) (resid   12 and name  HA2) 3.15 1.35 1.35 ! 0.7403  155:1  Ambig  3.15, 3.32 A
    or (resid   32 and name   HN) (resid   30 and name  HD2)                ! 0.2295  155:1  -----  3.83, 4.07 A
assign (resid   29 and name HD21) (resid   30 and name  HD2) 4.15 2.35 2.35 ! 0.0000  156:1  Seq    5.11, 5.59 A
assign (resid    7 and name HE21) (resid   10 and name  HA1) 3.65 1.85 1.85 ! 0.9949  157:1  Mid    2.17, 2.62 A
assign (resid   13 and name  HD*) (resid    9 and name  HA1) 3.15 1.35 1.35 ! 0.7484  158:1  Ambig  4.12, 6.00 A
    or (resid   13 and name  HD*) (resid   10 and name  HA1)                ! 0.1998  158:1  -----  5.13, 5.57 A
assign (resid   31 and name  HD*) (resid   30 and name  HD2) 3.15 1.35 1.35 ! 0.9829  159:1  Seq    2.50, 4.59 A
assign (resid    9 and name   HN) (resid    9 and name  HA1) 2.65 0.85 0.85 ! 0.9328  160:1  Intra  2.58, 2.65 A
assign (resid    9 and name   HN) (resid   33 and name  HB1) 3.65 1.85 1.85 ! 0.0000  161:1  Long   3.17, 3.36 A
assign (resid   33 and name   HN) (resid   33 and name  HB1) 3.15 1.35 1.35 ! 0.0000  162:1  Intra  3.75, 3.78 A
assign (resid   13 and name  HE*) (resid   15 and name  HA2) 3.65 1.85 1.85 ! 0.0000  163:1  Mid    4.43, 5.13 A
assign (resid   13 and name  HE*) (resid   15 and name  HA1) 3.15 1.35 1.35 ! 0.0000  164:1  Mid    2.97, 3.65 A
assign (resid   26 and name   HN) (resid   25 and name  HB2) 3.65 1.85 1.85 ! 0.8079  165:1  Seq    4.31, 4.41 A
assign (resid   36 and name   HN) (resid   35 and name  HB1) 3.15 1.35 1.35 ! 0.9424  166:1  Seq    3.31, 3.48 A
assign (resid   36 and name   HN) (resid   35 and name  HB2) 3.65 1.85 1.85 ! 0.7133  167:1  Ambig  4.12, 4.24 A
    or (resid   26 and name   HN) (resid   33 and name  HB2)                ! 0.1911  167:1  -----  5.13, 5.34 A
assign (resid   34 and name   HN) (resid   33 and name  HB2) 3.15 1.35 1.35 ! 0.9008  168:1  Seq    3.92, 4.03 A
assign (resid    5 and name   HN) (resid    4 and name  HB*) 3.65 1.85 1.85 ! 0.0000  169:1  Seq    4.02, 4.16 A
assign (resid    4 and name   HN) (resid    4 and name  HB*) 2.65 0.85 0.85 ! 0.9968  170:1  Intra  2.32, 2.51 A
assign (resid   25 and name   HN) (resid   25 and name  HB2) 2.30 0.50 0.50 ! 0.0000  171:1  Intra  2.55, 2.64 A
assign (resid   25 and name   HN) (resid   25 and name  HB1) 2.30 0.50 0.50 ! 0.9941  172:1  Intra  2.47, 2.51 A
assign (resid   31 and name   HN) (resid   31 and name  HB2) 2.65 0.85 0.85 ! 0.5175  173:1  Ambig  2.43, 2.58 A
    or (resid   10 and name   HN) (resid   13 and name  HB1)                ! 0.4496  173:1  -----  2.49, 2.62 A
assign (resid    5 and name   HN) (resid   35 and name  HB2) 3.65 1.85 1.85 ! 0.0000  174:1  Long   2.64, 3.00 A
assign (resid   31 and name   HN) (resid   31 and name  HB1) 3.15 1.35 1.35 ! 0.6513  175:1  Ambig  3.65, 3.72 A
    or (resid   19 and name   HN) (resid    8 and name  HB2)                ! 0.1924  175:1  -----  4.47, 4.74 A
assign (resid   11 and name   HN) (resid   31 and name  HB1) 3.65 1.85 1.85 ! 0.0000  176:1  Long   4.11, 4.37 A
assign (resid   31 and name   HN) (resid   29 and name  HB*) 2.65 0.85 0.85 ! 0.4824  177:1  Ambig  2.40, 2.93 A
    or (resid   29 and name   HN) (resid   29 and name  HB*)                ! 0.4376  177:1  -----  2.44, 3.09 A
assign (resid   35 and name   HN) (resid   35 and name  HB1) 3.15 1.35 1.35 ! 0.9900  178:1  Intra  3.55, 3.61 A
assign (resid   35 and name   HN) (resid    8 and name  HB1) 3.65 1.85 1.85 ! 0.9854  179:1  Long   3.22, 3.56 A
assign (resid   14 and name   HN) (resid   13 and name  HB1) 3.65 1.85 1.85 ! 0.5515  180:1  Ambig  4.27, 4.34 A
    or (resid   11 and name   HN) (resid   31 and name  HB2)                ! 0.2807  180:1  -----  4.78, 5.01 A
assign (resid   35 and name   HN) (resid   35 and name  HB2) 2.65 0.85 0.85 ! 0.9960  181:1  Intra  2.46, 2.53 A
assign (resid   29 and name   HN) (resid   32 and name  HB*) 3.15 1.35 1.35 ! 0.7874  182:1  Ambig  2.93, 4.05 A
    or (resid   28 and name   HN) (resid   33 and name  HB2)                ! 0.0664  182:1  -----  4.42, 4.62 A
assign (resid   14 and name   HN) (resid   13 and name  HB2) 3.65 1.85 1.85 ! 0.6581  183:1  Ambig  4.30, 4.47 A
    or (resid   11 and name   HN) (resid   13 and name  HB2)                ! 0.3045  183:1  -----  4.89, 5.12 A
assign (resid   20 and name   HN) (resid   35 and name  HB1) 3.65 1.85 1.85 ! 0.0000  185:1  Long   3.95, 4.32 A
assign (resid    8 and name   HN) (resid    8 and name  HB2) 3.15 1.35 1.35 ! 0.5534  186:1  Ambig  3.62, 3.68 A
    or (resid   32 and name   HN) (resid   31 and name  HB1)                ! 0.4077  186:1  -----  3.81, 3.96 A
assign (resid   32 and name   HN) (resid   29 and name  HB*) 3.65 1.85 1.85 ! 0.9988  187:1  Mid    1.78, 2.56 A
assign (resid   29 and name HD21) (resid   29 and name  HB*) 2.30 0.50 0.50 ! 0.0000  188:1  Intra  2.14, 2.79 A
assign (resid   13 and name   HN) (resid   13 and name  HB1) 2.30 0.50 0.50 ! 0.5580  189:1  Ambig  2.44, 2.54 A
    or (resid   32 and name   HN) (resid   31 and name  HB2)                ! 0.2328  189:1  -----  2.83, 2.95 A
    or (resid    8 and name   HN) (resid    8 and name  HB1)                ! 0.2034  189:1  -----  2.89, 2.98 A
assign (resid   29 and name HD21) (resid   32 and name  HB*) 3.65 1.85 1.85 ! 0.0000  190:1  Mid    1.99, 3.06 A
assign (resid   13 and name   HN) (resid   13 and name  HB2) 2.30 0.50 0.50 ! 0.5407  191:1  Ambig  2.57, 2.68 A
    or (resid   32 and name   HN) (resid   32 and name  HB*)                ! 0.4483  191:1  -----  2.65, 2.85 A
assign (resid   31 and name  HD*) (resid   31 and name  HB1) 2.30 0.50 0.50 ! 0.0000  192:1  Intra  2.33, 3.05 A
assign (resid    4 and name  HD2) (resid    4 and name  HB*) 3.15 1.35 1.35 ! 0.0000  193:1  Intra  2.78, 3.43 A
assign (resid   31 and name  HD*) (resid   29 and name  HB*) 3.65 1.85 1.85 ! 0.0000  194:1  Mid    3.44, 5.87 A
assign (resid   29 and name HD22) (resid   29 and name  HB*) 2.65 0.85 0.85 ! 0.0000  195:1  Intra  3.43, 3.73 A
assign (resid    7 and name HE21) (resid   31 and name  HB2) 3.65 1.85 1.85 ! 0.4430  196:1  Ambig  4.98, 5.78 A
    or (resid   18 and name   HN) (resid    8 and name  HB1)                ! 0.3375  196:1  -----  5.21, 5.91 A
    or (resid   18 and name   HN) (resid   25 and name  HB1)                ! 0.1829  196:1  -----  5.77, 7.12 A
assign (resid   31 and name  HD*) (resid   31 and name  HB2) 2.30 0.50 0.50 ! 0.0000  197:1  Intra  2.28, 3.05 A
assign (resid    7 and name HE21) (resid   13 and name  HB1) 3.15 1.35 1.35 ! 0.9205  198:1  Long   3.27, 4.16 A
assign (resid   13 and name  HD*) (resid   13 and name  HB1) 2.30 0.50 0.50 ! 0.9969  199:1  Intra  2.25, 3.01 A
assign (resid   29 and name HD22) (resid   32 and name  HB*) 2.65 0.85 0.85 ! 0.9998  200:1  Mid    1.81, 4.03 A
assign (resid   32 and name  HD*) (resid   32 and name  HB*) 2.30 0.50 0.50 ! 0.7404  201:1  Ambig  2.33, 3.05 A
    or (resid    7 and name HE22) (resid   13 and name  HB2)                ! 0.2368  201:1  -----  2.82, 3.26 A
assign (resid    7 and name HE21) (resid   13 and name  HB2) 3.15 1.35 1.35 ! 0.9921  202:1  Long   1.80, 2.73 A
assign (resid   13 and name  HD*) (resid   13 and name  HB2) 2.30 0.50 0.50 ! 0.0000  203:1  Intra  2.53, 3.09 A
assign (resid   31 and name  HE*) (resid   31 and name  HB1) 3.65 1.85 1.85 ! 0.0000  204:1  Intra  4.60, 5.05 A
assign (resid   31 and name  HE*) (resid   31 and name  HB2) 3.15 1.35 1.35 ! 0.0000  206:1  Intra  4.57, 5.05 A
assign (resid   33 and name   HN) (resid   33 and name  HB2) 2.65 0.85 0.85 ! 0.9446  207:1  Intra  2.62, 2.69 A
assign (resid    9 and name   HN) (resid   33 and name  HB2) 2.65 0.85 0.85 ! 0.9998  208:1  Long   1.79, 1.86 A
assign (resid   32 and name  HE*) (resid   32 and name  HB*) 3.15 1.35 1.35 ! 0.9213  209:1  Intra  4.61, 5.05 A
assign (resid   13 and name  HE*) (resid   13 and name  HB1) 3.65 1.85 1.85 ! 0.5356  210:1  Ambig  4.56, 5.03 A
    or (resid   13 and name  HE*) (resid    8 and name  HB1)                ! 0.4644  210:1  -----  4.67, 6.33 A
assign (resid   13 and name  HE*) (resid   13 and name  HB2) 3.65 1.85 1.85 ! 0.0000  211:1  Intra  4.73, 5.08 A
assign (resid   26 and name   HN) (resid   26 and name  HG1) 3.15 1.35 1.35 ! 0.6042  212:1  Ambig  2.74, 2.97 A
    or (resid   36 and name   HN) (resid   26 and name  HG1)                ! 0.3958  212:1  -----  2.94, 3.30 A
assign (resid   36 and name   HN) (resid   26 and name  HG2) 3.15 1.35 1.35 ! 0.5118  213:1  Ambig  2.65, 4.76 A
    or (resid   26 and name   HN) (resid   26 and name  HG2)                ! 0.4738  213:1  -----  2.68, 3.76 A
assign (resid   26 and name   HN) (resid   26 and name  HB1) 3.15 1.35 1.35 ! 0.9029  214:1  Intra  3.61, 3.71 A
assign (resid    3 and name   HN) (resid    2 and name  HG1) 3.15 1.35 1.35 ! 0.9943  215:1  Seq    2.20, 2.64 A
assign (resid   27 and name   HN) (resid   26 and name  HG1) 3.65 1.85 1.85 ! 0.8775  216:1  Seq    4.92, 5.10 A
assign (resid   25 and name   HN) (resid   19 and name  HB2) 3.65 1.85 1.85 ! 0.8584  217:1  Long   3.31, 3.77 A
assign (resid   27 and name   HN) (resid   26 and name  HB1) 2.65 0.85 0.85 ! 0.8069  218:1  Seq    3.23, 3.43 A
assign (resid   17 and name   HN) (resid   16 and name  HB1) 3.15 1.35 1.35 ! 0.0000  219:1  Seq    3.88, 4.13 A
assign (resid    7 and name   HN) (resid    2 and name  HG2) 3.65 1.85 1.85 ! 0.8927  220:1  Long   3.14, 4.15 A
assign (resid   19 and name   HN) (resid   19 and name  HB2) 2.65 0.85 0.85 ! 0.6374  221:1  Ambig  2.39, 2.47 A
    or (resid   10 and name   HN) (resid    7 and name  HG1)                ! 0.2764  221:1  -----  2.75, 3.46 A
assign (resid   35 and name   HN) (resid    2 and name  HG2) 3.65 1.85 1.85 ! 0.7154  222:1  Ambig  4.11, 4.38 A
    or (resid   21 and name   HN) (resid   19 and name  HB2)                ! 0.0994  222:1  -----  5.71, 6.17 A
assign (resid   35 and name   HN) (resid   34 and name  HG*) 3.15 1.35 1.35 ! 0.0000  224:1  Seq    2.63, 4.03 A
assign (resid    7 and name   HN) (resid    7 and name  HB2) 2.65 0.85 0.85 ! 0.0000  225:1  Intra  2.56, 2.66 A
assign (resid    2 and name HE21) (resid    2 and name  HG1) 3.65 1.85 1.85 ! 0.0000  226:1  Intra  2.21, 3.31 A
assign (resid    2 and name HE21) (resid    2 and name  HG2) 3.15 1.35 1.35 ! 0.9752  227:1  Intra  2.14, 2.23 A
assign (resid   20 and name   HN) (resid   19 and name  HB2) 3.65 1.85 1.85 ! 0.9660  228:1  Seq    3.49, 3.73 A
assign (resid    8 and name   HN) (resid    7 and name  HG1) 2.65 0.85 0.85 ! 0.7383  230:1  Ambig  2.91, 3.25 A
    or (resid    8 and name   HN) (resid    2 and name  HG2)                ! 0.2306  230:1  -----  3.53, 3.92 A
assign (resid    8 and name   HN) (resid    7 and name  HB2) 3.65 1.85 1.85 ! 0.8638  231:1  Seq    4.05, 4.24 A
assign (resid   34 and name HE21) (resid   34 and name  HG*) 3.15 1.35 1.35 ! 0.0000  232:1  Intra  2.20, 3.00 A
assign (resid   26 and name HE21) (resid   26 and name  HG1) 3.15 1.35 1.35 ! 0.0000  233:1  Intra  2.18, 2.32 A
assign (resid    2 and name HE22) (resid    2 and name  HG2) 3.65 1.85 1.85 ! 0.9841  234:1  Intra  3.40, 3.48 A
assign (resid    7 and name HE21) (resid    7 and name  HG1) 2.65 0.85 0.85 ! 0.0000  235:1  Intra  2.15, 2.52 A
assign (resid   32 and name  HD*) (resid    7 and name  HG1) 2.65 0.85 0.85 ! 0.7332  236:1  Ambig  2.89, 4.61 A
    or (resid    7 and name HE22) (resid    7 and name  HG1)                ! 0.2668  236:1  -----  3.42, 3.58 A
assign (resid   26 and name HE21) (resid   26 and name  HG2) 3.65 1.85 1.85 ! 0.0000  237:1  Intra  2.19, 2.82 A
assign (resid   32 and name  HD*) (resid    7 and name  HB2) 3.65 1.85 1.85 ! 0.9264  238:1  Long   2.58, 4.67 A
assign (resid   26 and name HE22) (resid   26 and name  HG1) 3.65 1.85 1.85 ! 0.0000  239:1  Intra  3.45, 3.51 A
assign (resid   33 and name   HN) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.9584  240:1  Long   2.05, 2.23 A
assign (resid    9 and name   HN) (resid    7 and name  HG1) 2.65 0.85 0.85 ! 0.9697  241:1  Mid    2.87, 3.38 A
assign (resid   32 and name  HE*) (resid    7 and name  HG1) 3.65 1.85 1.85 ! 0.0000  242:1  Long   3.55, 5.19 A
assign (resid   34 and name HE22) (resid   34 and name  HG*) 3.15 1.35 1.35 ! 0.0000  243:1  Intra  3.45, 3.82 A
assign (resid   32 and name  HE*) (resid    7 and name  HB2) 2.65 0.85 0.85 ! 0.0000  244:1  Long   2.05, 4.15 A
assign (resid   13 and name  HE*) (resid   16 and name  HG1) 3.65 1.85 1.85 ! 0.5224  245:1  Ambig  4.83, 6.24 A
    or (resid   13 and name  HE*) (resid    7 and name  HB2)                ! 0.4776  245:1  -----  4.90, 6.11 A
assign (resid   24 and name   HN) (resid   36 and name  HB*) 3.65 1.85 1.85 ! 0.0000  246:1  Long   3.84, 4.49 A
assign (resid   34 and name   HN) (resid   34 and name  HG*) 3.15 1.35 1.35 ! 0.0000  247:1  Intra  2.39, 3.03 A
assign (resid   26 and name   HN) (resid   26 and name  HB2) 2.65 0.85 0.85 ! 0.9302  248:1  Intra  2.41, 2.57 A
assign (resid   34 and name   HN) (resid   34 and name  HB*) 2.65 0.85 0.85 ! 0.6615  249:1  Ambig  2.39, 3.49 A
    or (resid   34 and name   HN) (resid   28 and name   HG)                ! 0.3378  249:1  -----  2.67, 2.85 A
assign (resid   12 and name   HN) (resid   11 and name HG11) 3.65 1.85 1.85 ! 0.7037  250:1  Ambig  5.00, 5.06 A
    or (resid   34 and name   HN) (resid   36 and name  HB*)                ! 0.2963  250:1  -----  5.77, 6.60 A
assign (resid   36 and name   HN) (resid   36 and name  HB*) 2.65 0.85 0.85 ! 0.9569  251:1  Intra  2.46, 3.17 A
assign (resid   12 and name   HN) (resid   11 and name   HB) 3.65 1.85 1.85 ! 0.8818  252:1  Seq    4.15, 4.26 A
assign (resid   36 and name   HN) (resid   36 and name   HG) 3.15 1.35 1.35 ! 0.7934  253:1  Ambig  2.95, 3.13 A
    or (resid   26 and name   HN) (resid   36 and name   HG)                ! 0.2066  253:1  -----  3.69, 4.18 A
assign (resid    2 and name   HN) (resid    2 and name  HB2) 3.15 1.35 1.35 ! 0.8480  254:1  Intra  2.18, 2.62 A
assign (resid    3 and name   HN) (resid    2 and name  HB2) 3.65 1.85 1.85 ! 0.9090  255:1  Seq    3.33, 3.99 A
assign (resid   27 and name   HN) (resid   27 and name   HB) 2.30 0.50 0.50 ! 0.9090  256:1  Intra  2.45, 2.50 A
assign (resid    5 and name   HN) (resid    5 and name  HB*) 2.65 0.85 0.85 ! 0.0000  257:1  Intra  3.18, 3.68 A
assign (resid    6 and name   HN) (resid    5 and name  HB*) 3.15 1.35 1.35 ! 0.0000  258:1  Seq    3.49, 4.25 A
assign (resid   17 and name   HN) (resid   18 and name   HB) 3.65 1.85 1.85 ! 0.6286  259:1  Ambig  4.12, 4.48 A
    or (resid   17 and name   HN) (resid   16 and name  HG2)                ! 0.1967  259:1  -----  5.00, 5.09 A
assign (resid   29 and name   HN) (resid   28 and name  HB2) 2.65 0.85 0.85 ! 0.7383  260:1  Ambig  1.84, 1.88 A
    or (resid   28 and name   HN) (resid   28 and name  HB2)                ! 0.1319  260:1  -----  2.45, 2.55 A
assign (resid   28 and name   HN) (resid   28 and name   HG) 2.65 0.85 0.85 ! 0.7171  261:1  Ambig  2.29, 2.44 A
    or (resid   29 and name   HN) (resid   28 and name  HB1)                ! 0.1932  261:1  -----  2.84, 3.02 A
assign (resid    7 and name   HN) (resid    7 and name  HB1) 2.65 0.85 0.85 ! 0.9810  262:1  Intra  2.37, 2.53 A
assign (resid   35 and name   HN) (resid   34 and name  HB*) 3.15 1.35 1.35 ! 0.9979  263:1  Seq    2.33, 3.24 A
assign (resid   11 and name   HN) (resid   11 and name HG11) 2.65 0.85 0.85 ! 0.0000  265:1  Intra  2.09, 2.18 A
assign (resid    4 and name  HE1) (resid    5 and name  HB*) 3.15 1.35 1.35 ! 0.9714  266:1  Seq    3.36, 4.80 A
assign (resid   21 and name   HN) (resid   20 and name  HB*) 2.65 0.85 0.85 ! 0.9809  267:1  Seq    2.17, 3.54 A
assign (resid   20 and name   HN) (resid   20 and name  HB*) 2.30 0.50 0.50 ! 0.0000  270:1  Intra  2.44, 2.87 A
assign (resid   29 and name HD21) (resid   28 and name  HB2) 3.65 1.85 1.85 ! 0.9980  271:1  Seq    2.49, 3.25 A
assign (resid    8 and name   HN) (resid    7 and name  HB1) 3.65 1.85 1.85 ! 0.5087  272:1  Ambig  4.09, 4.22 A
    or (resid    8 and name   HN) (resid   34 and name  HB*)                ! 0.4258  272:1  -----  4.21, 4.68 A
assign (resid   34 and name HE21) (resid   34 and name  HB*) 3.65 1.85 1.85 ! 0.9900  273:1  Intra  1.89, 2.99 A
assign (resid   34 and name HE21) (resid    5 and name  HB*) 3.65 1.85 1.85 ! 0.0000  274:1  Long   2.95, 4.47 A
assign (resid   18 and name   HN) (resid   18 and name   HB) 2.65 0.85 0.85 ! 0.8675  275:1  Intra  2.67, 2.92 A
assign (resid   18 and name   HN) (resid   16 and name  HB2) 3.65 1.85 1.85 ! 0.0000  277:1  Mid    2.65, 3.15 A
assign (resid   29 and name HD22) (resid   28 and name  HB2) 3.65 1.85 1.85 ! 0.9114  278:1  Seq    3.40, 4.11 A
assign (resid   32 and name  HD*) (resid   28 and name  HB2) 2.65 0.85 0.85 ! 0.0000  279:1  Mid    2.60, 4.71 A
assign (resid   29 and name HD22) (resid   28 and name  HB1) 3.65 1.85 1.85 ! 0.9213  280:1  Seq    3.69, 4.31 A
assign (resid   32 and name  HD*) (resid   28 and name   HG) 2.65 0.85 0.85 ! 0.5597  281:1  Ambig  3.67, 5.68 A
    or (resid   32 and name  HD*) (resid   28 and name  HB1)                ! 0.4403  281:1  -----  3.82, 6.14 A
assign (resid   26 and name HE21) (resid   36 and name  HB*) 3.65 1.85 1.85 ! 0.0000  282:1  Long   1.80, 3.33 A
assign (resid    4 and name  HD2) (resid    5 and name  HB*) 3.65 1.85 1.85 ! 0.0000  283:1  Seq    4.63, 6.17 A
assign (resid   32 and name  HE*) (resid   28 and name  HB2) 3.65 1.85 1.85 ! 0.0000  284:1  Mid    4.17, 6.01 A
assign (resid    9 and name   HN) (resid    7 and name  HB1) 3.65 1.85 1.85 ! 0.0000  285:1  Mid    4.94, 5.18 A
assign (resid   32 and name  HE*) (resid   34 and name  HB*) 2.65 0.85 0.85 ! 0.9575  286:1  Mid    2.23, 4.20 A
assign (resid   26 and name HE22) (resid   36 and name  HB*) 3.65 1.85 1.85 ! 0.0000  287:1  Long   2.57, 3.42 A
assign (resid   34 and name HE22) (resid    5 and name  HB*) 3.65 1.85 1.85 ! 0.0000  288:1  Long   2.81, 4.03 A
assign (resid   13 and name  HE*) (resid    7 and name  HB1) 3.15 1.35 1.35 ! 0.0000  289:1  Long   3.27, 4.58 A
assign (resid   24 and name   HN) (resid   24 and name HG2*) 3.15 1.35 1.35 ! 0.0000  290:1  Intra  2.94, 3.83 A
assign (resid   24 and name   HN) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  291:1  Seq    3.74, 4.62 A
assign (resid   12 and name   HN) (resid   11 and name HG2*) 2.65 0.85 0.85 ! 0.8219  292:1  Seq    2.96, 3.68 A
assign (resid   36 and name   HN) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.7107  293:1  Ambig  4.24, 5.38 A
    or (resid   26 and name   HN) (resid   27 and name HG2*)                ! 0.1908  293:1  -----  5.28, 6.18 A
assign (resid   36 and name   HN) (resid   36 and name HD2*) 2.65 0.85 0.85 ! 0.3648  294:1  Ambig  3.98, 4.83 A
    or (resid   26 and name   HN) (resid   36 and name HD1*)                ! 0.2486  294:1  -----  4.25, 5.57 A
    or (resid   36 and name   HN) (resid   36 and name HD1*)                ! 0.2294  294:1  -----  4.30, 5.05 A
assign (resid   25 and name   HN) (resid   24 and name HG2*) 3.15 1.35 1.35 ! 0.0000  295:1  Seq    3.69, 4.63 A
assign (resid   27 and name   HN) (resid   27 and name HG2*) 2.30 0.50 0.50 ! 0.9881  296:1  Intra  2.00, 2.98 A
assign (resid    5 and name   HN) (resid   36 and name HD2*) 3.65 1.85 1.85 ! 0.9822  297:1  Long   2.94, 4.26 A
assign (resid   27 and name   HN) (resid   27 and name HG1*) 3.15 1.35 1.35 ! 0.0000  298:1  Intra  4.37, 4.51 A
assign (resid   11 and name   HN) (resid   11 and name   HB) 2.65 0.85 0.85 ! 0.9925  300:1  Intra  2.43, 2.50 A
assign (resid    2 and name   HN) (resid    1 and name HG2*) 3.65 1.85 1.85 ! 0.9359  301:1  Seq    2.32, 3.71 A
assign (resid   17 and name   HN) (resid   17 and name HG2*) 2.65 0.85 0.85 ! 0.0000  302:1  Intra  2.47, 3.48 A
assign (resid   21 and name   HN) (resid    1 and name HG2*) 3.65 1.85 1.85 ! 0.0000  303:1  Long   3.40, 5.29 A
assign (resid   31 and name   HN) (resid   30 and name  HB2) 3.15 1.35 1.35 ! 0.9922  304:1  Seq    3.07, 3.38 A
assign (resid   11 and name   HN) (resid   11 and name HG12) 3.15 1.35 1.35 ! 0.0000  305:1  Intra  3.34, 3.43 A
assign (resid   17 and name   HN) (resid   18 and name HG1*) 4.15 2.35 2.35 ! 0.9417  306:1  Seq    3.45, 4.70 A
assign (resid   21 and name   HN) (resid   18 and name HG2*) 3.65 1.85 1.85 ! 0.5006  307:1  Ambig  4.97, 6.58 A
    or (resid   35 and name   HN) (resid   23 and name HG2*)                ! 0.2279  307:1  -----  5.67, 7.06 A
    or (resid   21 and name   HN) (resid   23 and name HG2*)                ! 0.1723  307:1  -----  5.94, 7.35 A
assign (resid    4 and name  HE1) (resid   36 and name HD2*) 3.65 1.85 1.85 ! 0.9561  308:1  Long   3.70, 4.67 A
assign (resid   28 and name   HN) (resid   27 and name HG1*) 2.65 0.85 0.85 ! 0.6916  309:1  Ambig  3.54, 4.33 A
    or (resid   29 and name   HN) (resid   27 and name HG1*)                ! 0.1996  309:1  -----  4.35, 5.09 A
assign (resid   23 and name   HN) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  310:1  Intra  2.91, 3.92 A
assign (resid    8 and name   HN) (resid    7 and name  HG2) 3.15 1.35 1.35 ! 0.9630  311:1  Seq    3.02, 3.24 A
assign (resid   34 and name HE21) (resid   36 and name HD2*) 3.65 1.85 1.85 ! 0.6086  312:1  Ambig  1.84, 4.30 A
    or (resid   34 and name HE21) (resid   36 and name HD1*)                ! 0.3835  312:1  -----  1.99, 5.48 A
assign (resid   31 and name  HD*) (resid   11 and name   HB) 2.65 0.85 0.85 ! 0.0000  313:1  Long   2.57, 4.03 A
assign (resid   18 and name   HN) (resid    1 and name HG2*) 3.65 1.85 1.85 ! 0.4868  314:1  Ambig  4.48, 6.41 A
    or (resid   18 and name   HN) (resid   17 and name HG2*)                ! 0.4576  314:1  -----  4.53, 5.20 A
assign (resid   13 and name  HD*) (resid   17 and name HG2*) 3.15 1.35 1.35 ! 0.0000  315:1  Mid    2.01, 5.16 A
assign (resid   31 and name  HD*) (resid   30 and name  HB2) 3.15 1.35 1.35 ! 0.0000  316:1  Seq    3.24, 4.53 A
assign (resid   26 and name HE21) (resid   24 and name HG2*) 3.65 1.85 1.85 ! 0.0000  317:1  Mid    3.54, 5.09 A
assign (resid    2 and name HE22) (resid    7 and name  HG2) 4.15 2.35 2.35 ! 0.0000  318:1  Long   5.55, 6.01 A
assign (resid    7 and name HE21) (resid    7 and name  HG2) 2.65 0.85 0.85 ! 0.0000  319:1  Intra  2.19, 2.67 A
assign (resid    7 and name HE22) (resid    7 and name  HG2) 3.15 1.35 1.35 ! 0.7861  320:1  Ambig  3.45, 3.65 A
    or (resid   32 and name  HD*) (resid    7 and name  HG2)                ! 0.2139  320:1  -----  4.29, 6.18 A
assign (resid   13 and name  HD*) (resid    7 and name  HG2) 3.65 1.85 1.85 ! 0.0000  321:1  Long   2.87, 3.88 A
assign (resid    4 and name  HD2) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.0000  322:1  Long   2.17, 3.29 A
assign (resid   18 and name   HN) (resid   18 and name HG21) 2.65 0.85 0.85 ! 0.9913  323:1  Ambig  2.00, 2.97 A
    or (resid   18 and name   HN) (resid   18 and name HG11)                ! 0.0000  323:1  -----  0.00, 0.00 A
assign (resid   32 and name  HD*) (resid   28 and name HD1*) 3.15 1.35 1.35 ! 0.0000  325:1  Mid    2.05, 5.47 A
assign (resid   31 and name  HD*) (resid   11 and name HG2*) 3.15 1.35 1.35 ! 0.0000  326:1  Long   3.29, 6.00 A
assign (resid   32 and name  HD*) (resid   28 and name HD2*) 3.65 1.85 1.85 ! 0.0000  327:1  Mid    5.56, 7.84 A
assign (resid    4 and name  HD2) (resid   36 and name HD2*) 3.65 1.85 1.85 ! 0.9938  328:1  Long   2.47, 4.14 A
assign (resid   31 and name  HE*) (resid   11 and name   HB) 3.15 1.35 1.35 ! 0.0000  329:1  Long   2.68, 4.24 A
assign (resid   31 and name  HE*) (resid   30 and name  HB2) 3.65 1.85 1.85 ! 0.0000  330:1  Seq    3.49, 4.66 A
assign (resid   33 and name   HN) (resid    7 and name  HG2) 3.65 1.85 1.85 ! 0.0000  331:1  Long   3.35, 3.64 A
assign (resid    9 and name   HN) (resid    7 and name  HG2) 2.65 0.85 0.85 ! 0.0000  332:1  Mid    2.83, 3.19 A
assign (resid   32 and name  HE*) (resid   28 and name HD1*) 3.15 1.35 1.35 ! 0.0000  333:1  Mid    2.24, 5.39 A
assign (resid   31 and name  HE*) (resid   11 and name HG2*) 2.65 0.85 0.85 ! 0.7532  334:1  Ambig  2.80, 5.43 A
    or (resid   34 and name HE22) (resid   28 and name HD1*)                ! 0.2468  334:1  -----  3.37, 4.79 A
assign (resid   26 and name HE22) (resid   36 and name HD1*) 4.15 2.35 2.35 ! 0.9112  335:1  Long   3.06, 4.63 A
assign (resid   13 and name  HE*) (resid   17 and name HG2*) 2.65 0.85 0.85 ! 0.0000  337:1  Mid    2.82, 5.87 A
assign (resid   13 and name  HE*) (resid    7 and name  HG2) 3.65 1.85 1.85 ! 0.0000  338:1  Long   3.70, 4.38 A
assign (resid   11 and name   HN) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.0000  339:1  Intra  3.87, 4.43 A
assign (resid   31 and name  HD*) (resid   11 and name HD1*) 3.65 1.85 1.85 ! 0.0000  340:1  Long   4.20, 6.06 A
assign (resid   31 and name  HE*) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.0000  341:1  Long   3.62, 5.46 A
assign (resid   24 and name   HA) (resid   24 and name   HN) 3.65 1.85 1.85 ! 0.0000  342:1  Intra  2.91, 2.93 A
assign (resid   25 and name   HA) (resid   26 and name   HN) 3.65 1.85 1.85 ! 0.9106  343:1  Seq    2.12, 2.15 A
assign (resid   12 and name  HA1) (resid   12 and name   HN) 3.65 1.85 1.85 ! 0.0000  344:1  Intra  2.91, 2.93 A
assign (resid   24 and name   HB) (resid   24 and name   HN) 3.65 1.85 1.85 ! 0.0000  345:1  Intra  3.65, 3.70 A
assign (resid   23 and name   HB) (resid   24 and name   HN) 2.65 0.85 0.85 ! 0.0000  346:1  Seq    2.52, 2.76 A
assign (resid   23 and name   HB) (resid   36 and name   HN) 3.15 1.35 1.35 ! 0.9817  347:1  Long   3.07, 3.24 A
assign (resid   11 and name   HA) (resid   12 and name   HN) 2.30 0.50 0.50 ! 0.9909  348:1  Seq    2.09, 2.12 A
assign (resid   12 and name  HA2) (resid   12 and name   HN) 2.65 0.85 0.85 ! 0.9990  349:1  Intra  2.37, 2.42 A
assign (resid   33 and name  HB1) (resid   34 and name   HN) 2.65 0.85 0.85 ! 0.7865  350:1  Ambig  3.09, 3.23 A
    or (resid   33 and name  HB1) (resid   26 and name   HN)                ! 0.2088  350:1  -----  3.85, 4.06 A
assign (resid   25 and name  HB2) (resid   26 and name   HN) 3.65 1.85 1.85 ! 0.7457  351:1  Ambig  4.31, 4.41 A
    or (resid   25 and name  HB2) (resid   36 and name   HN)                ! 0.1773  351:1  -----  5.48, 5.70 A
assign (resid   33 and name  HB2) (resid   34 and name   HN) 3.15 1.35 1.35 ! 0.4798  352:1  Ambig  3.92, 4.03 A
    or (resid   35 and name  HB2) (resid   36 and name   HN)                ! 0.3557  352:1  -----  4.12, 4.24 A
assign (resid   35 and name  HB1) (resid   36 and name   HN) 3.15 1.35 1.35 ! 0.9325  353:1  Seq    3.31, 3.48 A
assign (resid   13 and name  HB1) (resid   12 and name   HN) 3.65 1.85 1.85 ! 0.3459  354:1  Ambig  4.20, 4.55 A
    or (resid   25 and name  HB1) (resid   26 and name   HN)                ! 0.3307  354:1  -----  4.24, 4.33 A
    or (resid    8 and name  HB1) (resid   26 and name   HN)                ! 0.1301  354:1  -----  4.95, 5.47 A
assign (resid   26 and name  HG2) (resid   36 and name   HN) 3.65 1.85 1.85 ! 0.5081  355:1  Ambig  2.65, 4.76 A
    or (resid   26 and name  HG2) (resid   26 and name   HN)                ! 0.4704  355:1  -----  2.68, 3.76 A
assign (resid   26 and name  HG1) (resid   26 and name   HN) 3.65 1.85 1.85 ! 0.5973  356:1  Ambig  2.74, 2.97 A
    or (resid   26 and name  HG1) (resid   36 and name   HN)                ! 0.3913  356:1  -----  2.94, 3.30 A
assign (resid   26 and name  HB1) (resid   26 and name   HN) 3.15 1.35 1.35 ! 0.6937  357:1  Ambig  3.61, 3.71 A
    or (resid   26 and name  HB1) (resid   34 and name   HN)                ! 0.2071  357:1  -----  4.41, 4.80 A
assign (resid   26 and name  HB2) (resid   26 and name   HN) 2.65 0.85 0.85 ! 0.8306  358:1  Intra  2.41, 2.57 A
assign (resid   34 and name  HB*) (resid   34 and name   HN) 2.65 0.85 0.85 ! 0.6416  359:1  Ambig  2.39, 3.49 A
    or (resid   28 and name   HG) (resid   34 and name   HN)                ! 0.3276  359:1  -----  2.67, 2.85 A
assign (resid   36 and name  HB*) (resid   36 and name   HN) 2.65 0.85 0.85 ! 0.9386  360:1  Intra  2.46, 3.17 A
assign (resid   24 and name HG2*) (resid   24 and name   HN) 3.15 1.35 1.35 ! 0.0000  362:1  Intra  2.94, 3.83 A
assign (resid   36 and name   HG) (resid   36 and name   HN) 3.65 1.85 1.85 ! 0.7132  363:1  Ambig  2.95, 3.13 A
    or (resid   36 and name   HG) (resid   26 and name   HN)                ! 0.1857  363:1  -----  3.69, 4.18 A
assign (resid   11 and name HG2*) (resid   12 and name   HN) 2.65 0.85 0.85 ! 0.9530  364:1  Seq    2.96, 3.68 A
assign (resid   36 and name HD2*) (resid   36 and name   HN) 3.15 1.35 1.35 ! 0.3438  365:1  Ambig  3.98, 4.83 A
    or (resid   36 and name HD1*) (resid   26 and name   HN)                ! 0.2343  365:1  -----  4.25, 5.57 A
    or (resid   36 and name HD1*) (resid   36 and name   HN)                ! 0.2162  365:1  -----  4.30, 5.05 A
    or (resid   36 and name HD1*) (resid   34 and name   HN)                ! 0.1194  365:1  -----  4.75, 5.62 A
assign (resid   24 and name   HA) (resid   25 and name   HN) 3.65 1.85 1.85 ! 0.0000  366:1  Seq    2.11, 2.26 A
assign (resid   21 and name   HA) (resid   22 and name   HN) 2.65 0.85 0.85 ! 0.0000  367:1  Seq    2.08, 2.15 A
assign (resid    4 and name   HA) (resid    5 and name   HN) 3.65 1.85 1.85 ! 0.0000  368:1  Seq    2.09, 2.13 A
assign (resid    7 and name   HA) (resid    6 and name   HN) 3.65 1.85 1.85 ! 0.6793  369:1  Ambig  4.09, 5.14 A
    or (resid    7 and name   HA) (resid   10 and name   HN)                ! 0.2726  369:1  -----  4.77, 5.24 A
assign (resid    9 and name  HA2) (resid   10 and name   HN) 3.65 1.85 1.85 ! 0.9878  370:1  Seq    2.72, 2.79 A
assign (resid   21 and name   HA) (resid   21 and name   HN) 3.65 1.85 1.85 ! 0.0000  371:1  Intra  2.67, 2.74 A
assign (resid   20 and name   HA) (resid   21 and name   HN) 2.65 0.85 0.85 ! 0.9829  372:1  Seq    2.10, 2.28 A
assign (resid   31 and name   HA) (resid   11 and name   HN) 3.65 1.85 1.85 ! 0.0000  373:1  Long   1.79, 2.04 A
assign (resid   21 and name  HB*) (resid   22 and name   HN) 3.65 1.85 1.85 ! 0.0000  374:1  Seq    3.00, 3.76 A
assign (resid    5 and name   HA) (resid    5 and name   HN) 3.15 1.35 1.35 ! 0.9849  375:1  Intra  2.20, 2.23 A
assign (resid   24 and name   HB) (resid   25 and name   HN) 3.15 1.35 1.35 ! 0.0000  376:1  Seq    2.71, 2.92 A
assign (resid    3 and name  HB2) (resid    4 and name   HN) 3.15 1.35 1.35 ! 0.7587  377:1  Ambig  2.00, 2.76 A
    or (resid    3 and name  HB2) (resid    3 and name   HN)                ! 0.2413  377:1  -----  2.43, 3.07 A
assign (resid    6 and name  HA2) (resid    6 and name   HN) 3.15 1.35 1.35 ! 0.0000  378:1  Intra  2.76, 2.90 A
assign (resid   18 and name   HA) (resid   19 and name   HN) 2.65 0.85 0.85 ! 0.5570  379:1  Ambig  2.06, 2.14 A
    or (resid    5 and name   HA) (resid    6 and name   HN)                ! 0.4399  379:1  -----  2.15, 3.05 A
assign (resid   27 and name   HA) (resid   28 and name   HN) 2.30 0.50 0.50 ! 0.8260  380:1  Seq    2.16, 2.23 A
assign (resid   10 and name  HA1) (resid   10 and name   HN) 2.30 0.50 0.50 ! 0.9053  381:1  Intra  2.26, 2.29 A
assign (resid    1 and name   HA) (resid    2 and name   HN) 3.65 1.85 1.85 ! 0.9339  382:1  Seq    2.16, 2.35 A
assign (resid   21 and name  HB*) (resid   21 and name   HN) 2.65 0.85 0.85 ! 0.0000  383:1  Intra  2.43, 3.02 A
assign (resid   10 and name  HA1) (resid   11 and name   HN) 2.65 0.85 0.85 ! 0.9893  385:1  Seq    2.78, 2.90 A
assign (resid    6 and name  HA2) (resid    7 and name   HN) 3.15 1.35 1.35 ! 0.0000  386:1  Seq    2.24, 2.32 A
assign (resid   22 and name  HA2) (resid   22 and name   HN) 2.65 0.85 0.85 ! 0.0000  387:1  Intra  2.36, 2.41 A
assign (resid    3 and name  HB1) (resid    4 and name   HN) 3.15 1.35 1.35 ! 0.7168  388:1  Ambig  1.96, 2.99 A
    or (resid    3 and name  HB1) (resid    3 and name   HN)                ! 0.1535  388:1  -----  2.54, 3.22 A
assign (resid  101 and name   H5) (resid    3 and name   HN) 4.15 2.35 2.35 ! 0.6796  389:1  Ambig  2.56, 4.79 A
    or (resid  101 and name   H5) (resid    4 and name   HN)                ! 0.2959  389:1  -----  2.94, 5.74 A
assign (resid   30 and name  HD2) (resid   31 and name   HN) 3.15 1.35 1.35 ! 0.9936  390:1  Seq    2.19, 2.43 A
assign (resid    6 and name  HA1) (resid    6 and name   HN) 2.65 0.85 0.85 ! 0.9990  391:1  Intra  2.29, 2.40 A
assign (resid   19 and name  HB1) (resid   19 and name   HN) 3.15 1.35 1.35 ! 0.8181  392:1  Intra  3.57, 3.62 A
assign (resid   33 and name  HB1) (resid   28 and name   HN) 3.15 1.35 1.35 ! 0.5276  393:1  Ambig  3.31, 3.58 A
    or (resid   33 and name  HB1) (resid   27 and name   HN)                ! 0.3533  393:1  -----  3.54, 3.68 A
assign (resid   14 and name  HB1) (resid   14 and name   HN) 3.15 1.35 1.35 ! 0.9453  394:1  Intra  2.69, 2.99 A
assign (resid    6 and name  HA1) (resid    7 and name   HN) 3.15 1.35 1.35 ! 0.0000  395:1  Seq    2.79, 2.94 A
assign (resid    4 and name  HB*) (resid    5 and name   HN) 3.65 1.85 1.85 ! 0.0000  396:1  Seq    4.02, 4.16 A
assign (resid   25 and name  HB2) (resid   25 and name   HN) 2.65 0.85 0.85 ! 0.0000  397:1  Intra  2.55, 2.64 A
assign (resid    4 and name  HB*) (resid    4 and name   HN) 2.65 0.85 0.85 ! 0.9968  398:1  Intra  2.32, 2.51 A
assign (resid   31 and name  HB1) (resid   31 and name   HN) 3.15 1.35 1.35 ! 0.9421  399:1  Intra  3.65, 3.72 A
assign (resid   29 and name  HB*) (resid   31 and name   HN) 2.65 0.85 0.85 ! 0.5198  400:1  Ambig  2.40, 2.93 A
    or (resid   29 and name  HB*) (resid   29 and name   HN)                ! 0.4715  400:1  -----  2.44, 3.09 A
assign (resid   35 and name  HB1) (resid    5 and name   HN) 3.65 1.85 1.85 ! 0.7866  401:1  Ambig  3.82, 4.33 A
    or (resid   35 and name  HB1) (resid   25 and name   HN)                ! 0.2134  401:1  -----  4.75, 5.32 A
assign (resid   35 and name  HB2) (resid    5 and name   HN) 3.15 1.35 1.35 ! 0.9929  402:1  Long   2.64, 3.00 A
assign (resid   25 and name  HB1) (resid   25 and name   HN) 2.30 0.50 0.50 ! 0.9904  403:1  Intra  2.47, 2.51 A
assign (resid   35 and name  HB1) (resid    6 and name   HN) 3.65 1.85 1.85 ! 0.7427  404:1  Ambig  4.53, 5.02 A
    or (resid   35 and name  HB1) (resid   19 and name   HN)                ! 0.2573  404:1  -----  5.41, 5.60 A
assign (resid   35 and name  HB2) (resid    6 and name   HN) 2.65 0.85 0.85 ! 0.3659  405:1  Ambig  2.79, 3.29 A
    or (resid   33 and name  HB2) (resid   10 and name   HN)                ! 0.2792  405:1  -----  2.92, 3.12 A
    or (resid   32 and name  HB*) (resid   29 and name   HN)                ! 0.2722  405:1  -----  2.93, 4.05 A
assign (resid   31 and name  HB2) (resid   31 and name   HN) 2.65 0.85 0.85 ! 0.5133  406:1  Ambig  2.43, 2.58 A
    or (resid   13 and name  HB1) (resid   10 and name   HN)                ! 0.4460  406:1  -----  2.49, 2.62 A
assign (resid   13 and name  HB2) (resid   10 and name   HN) 3.65 1.85 1.85 ! 0.9990  407:1  Mid    2.36, 2.58 A
assign (resid   35 and name  HB1) (resid   35 and name   HN) 3.15 1.35 1.35 ! 0.9900  408:1  Intra  3.55, 3.61 A
assign (resid   35 and name  HB2) (resid   35 and name   HN) 2.65 0.85 0.85 ! 0.9946  409:1  Intra  2.46, 2.53 A
assign (resid   13 and name  HB1) (resid   14 and name   HN) 3.65 1.85 1.85 ! 0.5515  410:1  Ambig  4.27, 4.34 A
    or (resid   31 and name  HB2) (resid   11 and name   HN)                ! 0.2807  410:1  -----  4.78, 5.01 A
assign (resid    2 and name  HG1) (resid    3 and name   HN) 3.15 1.35 1.35 ! 0.9943  411:1  Seq    2.20, 2.64 A
assign (resid   19 and name  HB2) (resid   19 and name   HN) 2.65 0.85 0.85 ! 0.6712  412:1  Ambig  2.39, 2.47 A
    or (resid    7 and name  HG1) (resid   10 and name   HN)                ! 0.2910  412:1  -----  2.75, 3.46 A
assign (resid   34 and name  HG*) (resid   35 and name   HN) 3.15 1.35 1.35 ! 0.9958  413:1  Seq    2.63, 4.03 A
assign (resid   26 and name  HB1) (resid   27 and name   HN) 3.15 1.35 1.35 ! 0.7994  414:1  Ambig  3.23, 3.43 A
    or (resid   26 and name  HB1) (resid   28 and name   HN)                ! 0.1115  414:1  -----  4.49, 4.87 A
assign (resid   27 and name   HB) (resid   27 and name   HN) 2.30 0.50 0.50 ! 0.4811  415:1  Ambig  2.45, 2.50 A
    or (resid   16 and name  HB2) (resid    2 and name   HN)                ! 0.4679  415:1  -----  2.46, 3.54 A
assign (resid   16 and name  HG2) (resid    2 and name   HN) 3.65 1.85 1.85 ! 0.3397  416:1  Ambig  3.94, 4.46 A
    or (resid   18 and name   HB) (resid   19 and name   HN)                ! 0.2755  416:1  -----  4.08, 4.16 A
    or (resid   18 and name   HB) (resid   17 and name   HN)                ! 0.2606  416:1  -----  4.12, 4.48 A
assign (resid   28 and name  HB2) (resid   29 and name   HN) 2.65 0.85 0.85 ! 0.7291  417:1  Ambig  1.84, 1.88 A
    or (resid   28 and name  HB2) (resid   28 and name   HN)                ! 0.1303  417:1  -----  2.45, 2.55 A
assign (resid   28 and name  HB1) (resid   29 and name   HN) 2.65 0.85 0.85 ! 0.8011  418:1  Seq    2.84, 3.02 A
assign (resid    7 and name  HB2) (resid    7 and name   HN) 2.65 0.85 0.85 ! 0.0000  419:1  Intra  2.56, 2.66 A
assign (resid    5 and name  HB*) (resid    5 and name   HN) 3.15 1.35 1.35 ! 0.0000  420:1  Intra  3.18, 3.68 A
assign (resid    5 and name  HB*) (resid    6 and name   HN) 3.15 1.35 1.35 ! 0.0000  421:1  Seq    3.49, 4.25 A
assign (resid   11 and name HG11) (resid   11 and name   HN) 2.65 0.85 0.85 ! 0.0000  422:1  Intra  2.09, 2.18 A
assign (resid    7 and name  HB1) (resid    7 and name   HN) 2.65 0.85 0.85 ! 0.9810  423:1  Intra  2.37, 2.53 A
assign (resid   24 and name HG2*) (resid   25 and name   HN) 3.15 1.35 1.35 ! 0.0000  424:1  Seq    3.69, 4.63 A
assign (resid   17 and name HG2*) (resid   17 and name   HN) 3.15 1.35 1.35 ! 0.9756  426:1  Intra  2.47, 3.48 A
assign (resid   20 and name  HB*) (resid   21 and name   HN) 2.65 0.85 0.85 ! 0.0000  427:1  Seq    2.17, 3.54 A
assign (resid   11 and name   HB) (resid   11 and name   HN) 2.65 0.85 0.85 ! 0.9925  428:1  Intra  2.43, 2.50 A
assign (resid   18 and name HG2*) (resid   19 and name   HN) 2.65 0.85 0.85 ! 0.6467  429:1  Ambig  2.55, 3.43 A
    or (resid   18 and name HG1*) (resid    2 and name   HN)                ! 0.2080  429:1  -----  3.08, 4.49 A
assign (resid   27 and name HG2*) (resid   27 and name   HN) 2.30 0.50 0.50 ! 0.9891  430:1  Intra  2.00, 2.98 A
assign (resid   11 and name HG2*) (resid   11 and name   HN) 3.65 1.85 1.85 ! 0.8216  431:1  Intra  4.35, 4.53 A
assign (resid   27 and name HG1*) (resid   28 and name   HN) 2.65 0.85 0.85 ! 0.5618  432:1  Ambig  3.54, 4.33 A
    or (resid   27 and name HG1*) (resid   29 and name   HN)                ! 0.1622  432:1  -----  4.35, 5.09 A
    or (resid   27 and name HG1*) (resid   27 and name   HN)                ! 0.1586  432:1  -----  4.37, 4.51 A
assign (resid   11 and name HD1*) (resid   11 and name   HN) 3.15 1.35 1.35 ! 0.0000  433:1  Intra  3.87, 4.43 A
assign (resid   20 and name   HA) (resid   20 and name   HN) 3.65 1.85 1.85 ! 0.5611  434:1  Ambig  2.76, 2.81 A
    or (resid    1 and name   HB) (resid   20 and name   HN)                ! 0.4389  434:1  -----  2.88, 4.76 A
assign (resid   21 and name   HA) (resid   23 and name   HN) 3.65 1.85 1.85 ! 0.0000  435:1  Mid    3.05, 3.33 A
assign (resid    7 and name   HA) (resid    8 and name   HN) 2.65 0.85 0.85 ! 0.9882  436:1  Seq    2.02, 2.09 A
assign (resid   11 and name   HA) (resid   13 and name   HN) 3.15 1.35 1.35 ! 0.6445  437:1  Ambig  3.09, 3.24 A
    or (resid   10 and name  HA1) (resid   13 and name   HN)                ! 0.1375  437:1  -----  4.00, 4.23 A
    or (resid   10 and name  HA1) (resid   32 and name   HN)                ! 0.1049  437:1  -----  4.19, 4.32 A
assign (resid   19 and name  HB1) (resid   20 and name   HN) 3.15 1.35 1.35 ! 0.0000  438:1  Seq    2.42, 2.63 A
assign (resid   22 and name  HA2) (resid   23 and name   HN) 3.15 1.35 1.35 ! 0.9203  439:1  Seq    3.24, 3.39 A
assign (resid   12 and name  HA2) (resid   13 and name   HN) 3.15 1.35 1.35 ! 0.9608  440:1  Seq    3.15, 3.32 A
assign (resid    8 and name  HB2) (resid    8 and name   HN) 3.65 1.85 1.85 ! 0.0000  441:1  Intra  3.62, 3.68 A
assign (resid   31 and name  HB1) (resid   32 and name   HN) 3.65 1.85 1.85 ! 0.9128  442:1  Seq    3.81, 3.96 A
assign (resid   29 and name  HB*) (resid   29 and name HD21) 2.30 0.50 0.50 ! 0.0000  443:1  Intra  2.14, 2.79 A
assign (resid   13 and name  HB1) (resid   13 and name   HN) 2.30 0.50 0.50 ! 0.5580  445:1  Ambig  2.44, 2.54 A
    or (resid   31 and name  HB2) (resid   32 and name   HN)                ! 0.2328  445:1  -----  2.83, 2.95 A
    or (resid    8 and name  HB1) (resid    8 and name   HN)                ! 0.2034  445:1  -----  2.89, 2.98 A
assign (resid   32 and name  HB*) (resid   32 and name   HN) 2.30 0.50 0.50 ! 0.9900  447:1  Intra  2.65, 2.85 A
assign (resid   13 and name  HB2) (resid   13 and name   HN) 2.65 0.85 0.85 ! 0.9881  448:1  Intra  2.57, 2.68 A
assign (resid   32 and name  HB*) (resid   29 and name HD21) 3.15 1.35 1.35 ! 0.0000  449:1  Mid    1.99, 3.06 A
assign (resid   31 and name  HB2) (resid   29 and name HD21) 4.15 2.35 2.35 ! 0.0000  450:1  Mid    4.59, 5.79 A
assign (resid    2 and name  HG1) (resid    2 and name HE21) 3.65 1.85 1.85 ! 0.0000  451:1  Intra  2.21, 3.31 A
assign (resid   19 and name  HB2) (resid   20 and name   HN) 3.15 1.35 1.35 ! 0.0000  452:1  Seq    3.49, 3.73 A
assign (resid    2 and name  HG2) (resid    2 and name HE21) 3.15 1.35 1.35 ! 0.0000  453:1  Intra  2.14, 2.23 A
assign (resid    7 and name  HG1) (resid    8 and name   HN) 2.65 0.85 0.85 ! 0.7383  454:1  Ambig  2.91, 3.25 A
    or (resid    2 and name  HG2) (resid    8 and name   HN)                ! 0.2306  454:1  -----  3.53, 3.92 A
assign (resid   16 and name  HG2) (resid    2 and name HE21) 3.65 1.85 1.85 ! 0.0000  455:1  Long   2.54, 3.82 A
assign (resid   20 and name  HB*) (resid   20 and name   HN) 2.30 0.50 0.50 ! 0.0000  456:1  Intra  2.44, 2.87 A
assign (resid   23 and name HG2*) (resid   23 and name   HN) 3.15 1.35 1.35 ! 0.0000  457:1  Intra  2.91, 3.92 A
assign (resid    7 and name  HG2) (resid    8 and name   HN) 3.15 1.35 1.35 ! 0.9630  458:1  Seq    3.02, 3.24 A
assign (resid   31 and name   HA) (resid   31 and name  HD*) 3.65 1.85 1.85 ! 0.9350  459:1  Intra  2.61, 3.52 A
assign (resid    9 and name  HA2) (resid   13 and name  HD*) 3.15 1.35 1.35 ! 0.9403  460:1  Mid    2.51, 4.51 A
assign (resid   18 and name   HA) (resid   18 and name   HN) 3.15 1.35 1.35 ! 0.0000  461:1  Intra  2.86, 2.90 A
assign (resid   10 and name  HA1) (resid   33 and name   HN) 3.65 1.85 1.85 ! 0.0000  462:1  Long   3.00, 3.43 A
assign (resid   10 and name  HA1) (resid    7 and name HE22) 3.15 1.35 1.35 ! 0.6218  463:1  Ambig  3.49, 3.64 A
    or (resid    9 and name  HA1) (resid   13 and name  HD*)                ! 0.2295  463:1  -----  4.12, 6.00 A
assign (resid    4 and name  HB*) (resid    4 and name  HD2) 3.65 1.85 1.85 ! 0.0000  464:1  Intra  2.78, 3.43 A
assign (resid   31 and name  HB1) (resid   31 and name  HD*) 2.65 0.85 0.85 ! 0.9662  465:1  Intra  2.33, 3.05 A
assign (resid   29 and name  HB*) (resid   31 and name  HD*) 3.65 1.85 1.85 ! 0.9668  466:1  Mid    3.44, 5.87 A
assign (resid   29 and name  HB*) (resid   29 and name HD22) 2.65 0.85 0.85 ! 0.0000  467:1  Intra  3.43, 3.73 A
assign (resid   31 and name  HB2) (resid   31 and name  HD*) 2.30 0.50 0.50 ! 0.8896  468:1  Intra  2.28, 3.05 A
assign (resid   32 and name  HB*) (resid    7 and name HE21) 3.65 1.85 1.85 ! 0.6493  469:1  Ambig  4.02, 5.48 A
    or (resid   33 and name  HB2) (resid    7 and name HE21)                ! 0.2654  469:1  -----  4.66, 4.95 A
assign (resid   13 and name  HB2) (resid    7 and name HE21) 3.15 1.35 1.35 ! 0.9991  470:1  Long   1.80, 2.73 A
assign (resid   32 and name  HB*) (resid   32 and name  HD*) 2.30 0.50 0.50 ! 0.9702  472:1  Intra  2.33, 3.05 A
assign (resid   13 and name  HB2) (resid   13 and name  HD*) 2.30 0.50 0.50 ! 0.6592  473:1  Ambig  2.53, 3.09 A
    or (resid   13 and name  HB2) (resid    7 and name HE22)                ! 0.3408  473:1  -----  2.82, 3.26 A
assign (resid   13 and name  HB1) (resid   13 and name  HD*) 2.30 0.50 0.50 ! 0.9744  474:1  Intra  2.25, 3.01 A
assign (resid   34 and name  HG*) (resid   34 and name HE21) 2.65 0.85 0.85 ! 0.0000  475:1  Intra  2.20, 3.00 A
assign (resid    7 and name  HG1) (resid    7 and name HE21) 2.65 0.85 0.85 ! 0.9951  476:1  Intra  2.15, 2.52 A
assign (resid   26 and name  HG1) (resid   26 and name HE21) 3.15 1.35 1.35 ! 0.0000  477:1  Intra  2.18, 2.32 A
assign (resid    7 and name  HG1) (resid   32 and name  HD*) 2.65 0.85 0.85 ! 0.6917  478:1  Ambig  2.89, 4.61 A
    or (resid    7 and name  HG1) (resid    7 and name HE22)                ! 0.2517  478:1  -----  3.42, 3.58 A
assign (resid   18 and name   HB) (resid   18 and name   HN) 2.65 0.85 0.85 ! 0.9459  479:1  Intra  2.67, 2.92 A
assign (resid   16 and name  HB2) (resid   18 and name   HN) 3.65 1.85 1.85 ! 0.6565  480:1  Ambig  2.65, 3.15 A
    or (resid   26 and name  HB2) (resid   26 and name HE21)                ! 0.3435  480:1  -----  2.96, 4.08 A
assign (resid   28 and name  HB2) (resid   32 and name  HD*) 3.15 1.35 1.35 ! 0.0000  481:1  Mid    2.60, 4.71 A
assign (resid   28 and name  HB1) (resid   32 and name  HD*) 3.15 1.35 1.35 ! 0.0000  482:1  Mid    3.82, 6.14 A
assign (resid   16 and name  HG2) (resid   13 and name  HD*) 4.15 2.35 2.35 ! 0.0000  483:1  Mid    5.67, 6.97 A
assign (resid    5 and name  HB*) (resid   34 and name HE21) 3.65 1.85 1.85 ! 0.0000  484:1  Long   2.95, 4.47 A
assign (resid   28 and name   HG) (resid   32 and name  HD*) 3.65 1.85 1.85 ! 0.0000  485:1  Mid    3.67, 5.68 A
assign (resid   34 and name  HB*) (resid   32 and name  HD*) 3.65 1.85 1.85 ! 0.3987  486:1  Ambig  3.54, 5.59 A
    or (resid    7 and name  HB1) (resid   13 and name  HD*)                ! 0.3566  486:1  -----  3.61, 5.12 A
    or (resid    7 and name  HB1) (resid   32 and name  HD*)                ! 0.1428  486:1  -----  4.20, 6.24 A
assign (resid   11 and name   HB) (resid   31 and name  HD*) 3.15 1.35 1.35 ! 0.9959  487:1  Long   2.57, 4.03 A
assign (resid   17 and name HG2*) (resid   13 and name  HD*) 3.15 1.35 1.35 ! 0.9992  488:1  Mid    2.01, 5.16 A
assign (resid   23 and name HG2*) (resid    4 and name  HD2) 3.15 1.35 1.35 ! 0.0000  489:1  Long   2.17, 3.29 A
assign (resid    7 and name  HG2) (resid    7 and name HE21) 2.65 0.85 0.85 ! 0.0000  490:1  Intra  2.19, 2.67 A
assign (resid   18 and name HG21) (resid   18 and name   HN) 2.65 0.85 0.85 ! 0.9913  491:1  Ambig  2.00, 2.97 A
    or (resid   18 and name HG11) (resid   18 and name   HN)                ! 0.0000  491:1  -----  0.00, 0.00 A
assign (resid   28 and name HD1*) (resid   32 and name  HD*) 3.15 1.35 1.35 ! 0.0000  492:1  Mid    2.05, 5.47 A
assign (resid    7 and name  HG2) (resid   13 and name  HD*) 3.15 1.35 1.35 ! 0.7046  493:1  Ambig  2.87, 3.88 A
    or (resid    7 and name  HG2) (resid    7 and name HE22)                ! 0.2322  493:1  -----  3.45, 3.65 A
assign (resid   11 and name HD1*) (resid   31 and name  HD*) 3.65 1.85 1.85 ! 0.0000  494:1  Long   4.20, 6.06 A
assign (resid    9 and name  HA2) (resid    9 and name   HN) 3.65 1.85 1.85 ! 0.0000  495:1  Intra  2.90, 2.93 A
assign (resid    9 and name  HA1) (resid    9 and name   HN) 3.15 1.35 1.35 ! 0.9328  496:1  Intra  2.58, 2.65 A
assign (resid   33 and name  HB1) (resid   33 and name   HN) 3.15 1.35 1.35 ! 0.0000  497:1  Intra  3.75, 3.78 A
assign (resid   33 and name  HB1) (resid    9 and name   HN) 3.65 1.85 1.85 ! 0.0000  498:1  Long   3.17, 3.36 A
assign (resid   15 and name  HA1) (resid   13 and name  HE*) 3.15 1.35 1.35 ! 0.0000  499:1  Mid    2.97, 3.65 A
assign (resid   33 and name  HB2) (resid   33 and name   HN) 2.65 0.85 0.85 ! 0.9970  500:1  Intra  2.62, 2.69 A
assign (resid    8 and name  HB1) (resid    9 and name   HN) 3.65 1.85 1.85 ! 0.5308  501:1  Ambig  4.10, 4.25 A
    or (resid   13 and name  HB1) (resid    9 and name   HN)                ! 0.4096  501:1  -----  4.28, 4.53 A
assign (resid   33 and name  HB2) (resid    9 and name   HN) 3.15 1.35 1.35 ! 0.0000  502:1  Long   1.79, 1.86 A
assign (resid   32 and name  HB*) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.9213  503:1  Intra  4.61, 5.05 A
assign (resid   13 and name  HB1) (resid   13 and name  HE*) 3.65 1.85 1.85 ! 0.5356  504:1  Ambig  4.56, 5.03 A
    or (resid    8 and name  HB1) (resid   13 and name  HE*)                ! 0.4644  504:1  -----  4.67, 6.33 A
assign (resid   34 and name  HG*) (resid   34 and name HE22) 3.15 1.35 1.35 ! 0.9486  505:1  Intra  3.45, 3.82 A
assign (resid    7 and name  HG1) (resid   33 and name   HN) 3.15 1.35 1.35 ! 0.9994  506:1  Long   2.05, 2.23 A
assign (resid    7 and name  HG1) (resid    9 and name   HN) 2.65 0.85 0.85 ! 0.9697  507:1  Mid    2.87, 3.38 A
assign (resid    7 and name  HG1) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.0000  508:1  Long   3.55, 5.19 A
assign (resid    7 and name  HB2) (resid   32 and name  HE*) 3.15 1.35 1.35 ! 0.0000  509:1  Long   2.05, 4.15 A
assign (resid    5 and name  HB*) (resid   34 and name HE22) 3.65 1.85 1.85 ! 0.0000  510:1  Long   2.81, 4.03 A
assign (resid   34 and name  HB*) (resid   32 and name  HE*) 2.65 0.85 0.85 ! 0.9575  511:1  Mid    2.23, 4.20 A
assign (resid    7 and name  HB1) (resid   13 and name  HE*) 3.15 1.35 1.35 ! 0.0000  512:1  Long   3.27, 4.58 A
assign (resid   17 and name HG2*) (resid   13 and name  HE*) 2.65 0.85 0.85 ! 0.0000  513:1  Mid    2.82, 5.87 A
assign (resid   11 and name HG2*) (resid   31 and name  HE*) 3.15 1.35 1.35 ! 0.0000  514:1  Long   2.80, 5.43 A
assign (resid    7 and name  HG2) (resid    9 and name   HN) 2.65 0.85 0.85 ! 0.0000  515:1  Mid    2.83, 3.19 A
assign (resid   11 and name HD1*) (resid   31 and name  HE*) 3.15 1.35 1.35 ! 0.0000  516:1  Long   3.62, 5.46 A
assign (resid   27 and name   HA) (resid   33 and name   HA) 2.65 0.85 0.85 ! 0.9988  517:1  Long   2.34, 2.52 A
assign (resid   30 and name  HD1) (resid   29 and name   HA) 2.65 0.85 0.85 ! 0.9483  518:1  Seq    2.03, 2.11 A
assign (resid  101 and name   H2) (resid  101 and name   H1) 3.15 1.35 1.35 ! 0.9987  519:1  Intra  2.50, 2.70 A
assign (resid   23 and name   HB) (resid   23 and name   HA) 2.65 0.85 0.85 ! 0.9983  520:1  Intra  2.46, 2.50 A
assign (resid   33 and name  HB1) (resid   33 and name   HA) 2.65 0.85 0.85 ! 0.9962  521:1  Intra  2.43, 2.46 A
assign (resid   14 and name  HB1) (resid   15 and name   HN) 3.15 1.35 1.35 ! 0.9304  522:1  Seq    4.36, 4.47 A
assign (resid   15 and name  HA1) (resid   15 and name   HN) 2.65 0.85 0.85 ! 0.9768  523:1  Intra  2.27, 2.32 A
assign (resid   33 and name  HB1) (resid   35 and name   HA) 4.15 2.35 2.35 ! 0.0000  524:1  Mid    6.23, 6.36 A
assign (resid    3 and name  HB1) (resid  101 and name   H1) 3.15 1.35 1.35 ! 0.9385  525:1  Long   2.33, 2.69 A
assign (resid   30 and name  HD2) (resid   29 and name   HA) 2.65 0.85 0.85 ! 0.8601  526:1  Seq    3.21, 3.32 A
assign (resid    8 and name  HB2) (resid    8 and name   HA) 2.65 0.85 0.85 ! 0.9984  527:1  Intra  2.42, 2.45 A
assign (resid   29 and name  HB*) (resid   29 and name   HA) 2.30 0.50 0.50 ! 0.0000  529:1  Intra  2.42, 2.74 A
assign (resid   33 and name  HB2) (resid   33 and name   HA) 2.65 0.85 0.85 ! 0.9420  530:1  Intra  3.04, 3.05 A
assign (resid    8 and name  HB1) (resid    8 and name   HA) 2.30 0.50 0.50 ! 0.9456  531:1  Intra  2.36, 2.39 A
assign (resid   35 and name  HB1) (resid   35 and name   HA) 2.65 0.85 0.85 ! 0.0000  533:1  Intra  2.40, 2.43 A
assign (resid   35 and name  HB2) (resid   35 and name   HA) 2.65 0.85 0.85 ! 0.9934  534:1  Intra  3.00, 3.02 A
assign (resid   30 and name  HG2) (resid   29 and name   HA) 3.65 1.85 1.85 ! 0.0000  535:1  Seq    4.66, 4.75 A
assign (resid   28 and name   HG) (resid   33 and name   HA) 3.15 1.35 1.35 ! 0.0000  536:1  Long   2.64, 2.98 A
assign (resid   23 and name HG2*) (resid   23 and name   HA) 2.65 0.85 0.85 ! 0.9917  538:1  Intra  2.41, 3.06 A
assign (resid   27 and name HG1*) (resid   29 and name   HA) 3.15 1.35 1.35 ! 0.0000  539:1  Mid    3.92, 5.17 A
assign (resid    3 and name  HB2) (resid    3 and name   HA) 3.15 1.35 1.35 ! 0.9588  540:1  Intra  2.44, 2.72 A
assign (resid   24 and name   HB) (resid   24 and name   HA) 2.65 0.85 0.85 ! 0.9163  541:1  Intra  2.50, 2.54 A
assign (resid    3 and name  HB1) (resid    3 and name   HA) 2.65 0.85 0.85 ! 0.8440  544:1  Intra  2.30, 2.43 A
assign (resid   14 and name  HB2) (resid   14 and name   HA) 2.65 0.85 0.85 ! 0.9986  545:1  Intra  2.52, 2.56 A
assign (resid   14 and name  HB1) (resid   14 and name   HA) 2.65 0.85 0.85 ! 0.9627  546:1  Intra  2.27, 2.33 A
assign (resid   16 and name  HD2) (resid   16 and name   HA) 3.65 1.85 1.85 ! 0.9561  547:1  Intra  4.06, 4.08 A
assign (resid    8 and name  HB2) (resid   17 and name   HA) 3.15 1.35 1.35 ! 0.9342  550:1  Long   2.87, 3.22 A
assign (resid    8 and name  HB2) (resid   17 and name   HB) 3.65 1.85 1.85 ! 0.8701  551:1  Long   4.20, 4.62 A
assign (resid   25 and name  HB2) (resid   25 and name   HA) 2.65 0.85 0.85 ! 0.9695  552:1  Intra  2.46, 2.48 A
assign (resid    4 and name  HB*) (resid    4 and name   HA) 2.65 0.85 0.85 ! 0.0000  553:1  Intra  2.44, 2.76 A
assign (resid   31 and name  HB1) (resid   31 and name   HA) 2.65 0.85 0.85 ! 0.0000  554:1  Intra  2.40, 2.46 A
assign (resid   35 and name  HB2) (resid    2 and name  HB1) 3.15 1.35 1.35 ! 0.5367  555:1  Ambig  3.40, 4.52 A
    or (resid   32 and name  HB*) (resid   28 and name  HB2)                ! 0.4633  555:1  -----  3.48, 4.60 A
assign (resid    8 and name  HB1) (resid   17 and name   HA) 3.65 1.85 1.85 ! 0.4198  556:1  Ambig  4.19, 4.58 A
    or (resid    8 and name  HB1) (resid   19 and name   HA)                ! 0.3297  556:1  -----  4.36, 4.55 A
    or (resid   25 and name  HB1) (resid   17 and name   HA)                ! 0.1180  556:1  -----  5.18, 6.06 A
assign (resid   13 and name  HB1) (resid   13 and name   HA) 3.15 1.35 1.35 ! 0.7306  557:1  Ambig  3.01, 3.03 A
    or (resid   31 and name  HB2) (resid   32 and name   HA)                ! 0.0709  557:1  -----  4.45, 4.62 A
assign (resid   32 and name  HB*) (resid   32 and name   HA) 2.65 0.85 0.85 ! 0.9569  558:1  Intra  2.45, 2.75 A
assign (resid   13 and name  HB2) (resid   13 and name   HA) 2.30 0.50 0.50 ! 0.9873  559:1  Intra  2.41, 2.53 A
assign (resid   35 and name  HB1) (resid   25 and name   HA) 3.65 1.85 1.85 ! 0.7077  560:1  Ambig  3.90, 4.22 A
    or (resid   35 and name  HB1) (resid   24 and name   HA)                ! 0.2923  560:1  -----  4.52, 4.96 A
assign (resid   25 and name  HB1) (resid   25 and name   HA) 2.65 0.85 0.85 ! 0.6716  561:1  Ambig  3.01, 3.03 A
    or (resid    8 and name  HB1) (resid   25 and name   HA)                ! 0.2093  561:1  -----  3.66, 4.11 A
assign (resid   35 and name  HB1) (resid    4 and name   HA) 3.65 1.85 1.85 ! 0.0000  562:1  Long   2.91, 3.29 A
assign (resid   35 and name  HB2) (resid    4 and name   HA) 3.15 1.35 1.35 ! 0.9958  563:1  Long   2.06, 2.36 A
assign (resid   31 and name  HB2) (resid   31 and name   HA) 2.65 0.85 0.85 ! 0.9714  564:1  Intra  3.00, 3.02 A
assign (resid   33 and name  HB2) (resid    9 and name  HA2) 3.15 1.35 1.35 ! 0.6914  565:1  Ambig  3.73, 3.79 A
    or (resid   33 and name  HB2) (resid    7 and name   HA)                ! 0.2710  565:1  -----  4.36, 4.55 A
assign (resid   26 and name  HG1) (resid   26 and name   HA) 3.65 1.85 1.85 ! 0.0000  566:1  Intra  2.94, 3.16 A
assign (resid   26 and name  HG2) (resid   26 and name   HA) 2.65 0.85 0.85 ! 0.0000  567:1  Intra  2.44, 2.54 A
assign (resid   16 and name  HB1) (resid   16 and name   HA) 2.30 0.50 0.50 ! 0.0000  568:1  Intra  2.26, 2.30 A
assign (resid   19 and name  HB2) (resid   24 and name   HA) 2.65 0.85 0.85 ! 0.7012  569:1  Ambig  2.97, 3.35 A
    or (resid   26 and name  HG2) (resid   25 and name   HA)                ! 0.1388  569:1  -----  3.90, 5.01 A
assign (resid    7 and name  HG1) (resid    7 and name   HA) 2.65 0.85 0.85 ! 0.9452  570:1  Intra  2.49, 2.58 A
assign (resid   30 and name  HB1) (resid   30 and name   HA) 2.30 0.50 0.50 ! 0.0000  571:1  Intra  2.27, 2.30 A
assign (resid   28 and name  HB1) (resid   28 and name   HA) 2.65 0.85 0.85 ! 0.0000  572:1  Intra  2.41, 2.47 A
assign (resid   28 and name   HG) (resid   28 and name   HA) 3.65 1.85 1.85 ! 0.0000  573:1  Intra  3.20, 3.31 A
assign (resid   28 and name  HB2) (resid   28 and name   HA) 2.65 0.85 0.85 ! 0.9615  574:1  Intra  3.02, 3.04 A
assign (resid    2 and name  HB2) (resid    2 and name   HA) 3.15 1.35 1.35 ! 0.9793  575:1  Intra  2.47, 2.58 A
assign (resid   26 and name  HB1) (resid   26 and name   HA) 2.65 0.85 0.85 ! 0.9442  576:1  Intra  2.44, 2.47 A
assign (resid   26 and name  HB2) (resid   26 and name   HA) 2.65 0.85 0.85 ! 0.6185  577:1  Ambig  3.00, 3.01 A
    or (resid   16 and name  HB2) (resid    2 and name   HA)                ! 0.3136  577:1  -----  3.36, 4.92 A
assign (resid   16 and name  HG2) (resid   16 and name   HA) 3.15 1.35 1.35 ! 0.8642  578:1  Intra  3.82, 3.86 A
assign (resid   16 and name  HB2) (resid   16 and name   HA) 2.65 0.85 0.85 ! 0.9296  579:1  Intra  2.74, 2.76 A
assign (resid   30 and name  HG2) (resid   30 and name   HA) 3.65 1.85 1.85 ! 0.0000  580:1  Intra  4.08, 4.12 A
assign (resid    7 and name  HB2) (resid    7 and name   HA) 2.65 0.85 0.85 ! 0.9989  581:1  Intra  2.37, 2.46 A
assign (resid   30 and name  HG1) (resid   30 and name   HA) 3.15 1.35 1.35 ! 0.0000  582:1  Intra  3.25, 3.45 A
assign (resid   18 and name   HB) (resid   18 and name   HA) 2.65 0.85 0.85 ! 0.9891  583:1  Intra  2.42, 2.45 A
assign (resid    7 and name  HB1) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.5330  586:1  Ambig  3.00, 3.02 A
    or (resid   34 and name  HB*) (resid    7 and name   HA)                ! 0.4635  586:1  -----  3.07, 3.74 A
assign (resid    5 and name  HB*) (resid    5 and name   HA) 2.65 0.85 0.85 ! 0.0000  587:1  Intra  2.41, 2.64 A
assign (resid   17 and name HG2*) (resid   17 and name   HA) 2.65 0.85 0.85 ! 0.0000  588:1  Intra  2.35, 2.98 A
assign (resid   17 and name HG2*) (resid   17 and name   HB) 2.30 0.50 0.50 ! 0.9924  589:1  Intra  2.43, 2.65 A
assign (resid   24 and name HG2*) (resid   24 and name   HA) 2.65 0.85 0.85 ! 0.9970  590:1  Intra  2.37, 3.01 A
assign (resid   30 and name  HB2) (resid   30 and name   HA) 2.65 0.85 0.85 ! 0.0000  591:1  Intra  2.83, 2.87 A
assign (resid   20 and name  HB*) (resid   20 and name   HA) 2.30 0.50 0.50 ! 0.7261  592:1  Ambig  2.42, 2.64 A
    or (resid   20 and name  HB*) (resid    1 and name   HB)                ! 0.2739  592:1  -----  2.85, 4.99 A
assign (resid   17 and name HG2*) (resid    9 and name  HA2) 3.65 1.85 1.85 ! 0.0000  593:1  Long   1.94, 3.53 A
assign (resid    1 and name HG2*) (resid   20 and name   HA) 2.65 0.85 0.85 ! 0.6622  594:1  Ambig  2.17, 3.39 A
    or (resid    1 and name HG2*) (resid    1 and name   HB)                ! 0.3327  594:1  -----  2.44, 2.65 A
assign (resid   28 and name HD2*) (resid   28 and name   HA) 2.65 0.85 0.85 ! 0.9971  595:1  Intra  2.14, 2.98 A
assign (resid   36 and name HD2*) (resid   36 and name   HA) 2.30 0.50 0.50 ! 0.9894  596:1  Intra  2.07, 2.96 A
assign (resid   18 and name HG2*) (resid   18 and name   HA) 2.30 0.50 0.50 ! 0.6385  597:1  Ambig  2.51, 3.13 A
    or (resid   18 and name HG1*) (resid    1 and name   HB)                ! 0.1792  597:1  -----  3.10, 5.26 A
assign (resid    3 and name   HA) (resid    3 and name  HB1) 3.65 1.85 1.85 ! 0.9295  598:1  Intra  2.30, 2.43 A
assign (resid   14 and name   HA) (resid   14 and name  HB1) 3.65 1.85 1.85 ! 0.9754  600:1  Intra  2.27, 2.33 A
assign (resid   25 and name   HA) (resid   33 and name  HB1) 3.65 1.85 1.85 ! 0.0000  601:1  Long   4.71, 4.92 A
assign (resid   21 and name   HA) (resid   21 and name  HB*) 3.15 1.35 1.35 ! 0.0000  602:1  Intra  2.28, 2.68 A
assign (resid   27 and name   HA) (resid   33 and name  HB1) 3.15 1.35 1.35 ! 0.8077  610:1  Long   1.99, 2.15 A
assign (resid   33 and name  HB1) (resid   27 and name   HA) 2.30 0.50 0.50 ! 0.8077  614:1  Long   1.99, 2.15 A
assign (resid  101 and name   H5) (resid  101 and name  H62) 2.65 0.85 0.85 ! 0.4009  618:1  Ambig  2.38, 2.55 A
    or (resid  101 and name   H4) (resid  101 and name  H62)                ! 0.3019  618:1  -----  2.50, 3.35 A
    or (resid  101 and name   H5) (resid  101 and name   H2)                ! 0.2667  618:1  -----  2.55, 4.00 A
assign (resid   29 and name  HB*) (resid   30 and name  HD1) 2.30 0.50 0.50 ! 0.0000  622:1  Seq    2.47, 3.37 A
assign (resid   29 and name  HB*) (resid   30 and name  HD2) 2.30 0.50 0.50 ! 0.0000  623:1  Seq    2.32, 3.12 A
assign (resid   35 and name  HB1) (resid   23 and name   HB) 2.65 0.85 0.85 ! 0.0000  624:1  Long   1.92, 2.25 A
assign (resid   33 and name  HB2) (resid    9 and name  HA1) 2.65 0.85 0.85 ! 0.8501  625:1  Ambig  2.81, 2.82 A
    or (resid   33 and name  HB2) (resid   10 and name  HA1)                ! 0.0000  625:1  -----  0.00, 0.00 A
assign (resid   35 and name  HB1) (resid   19 and name  HB1) 2.65 0.85 0.85 ! 0.0000  626:1  Long   2.17, 2.35 A
assign (resid    2 and name  HG1) (resid    6 and name  HA1) 3.15 1.35 1.35 ! 0.0000  628:1  Mid    2.57, 2.95 A
assign (resid   34 and name  HG*) (resid    5 and name   HA) 3.15 1.35 1.35 ! 0.9834  629:1  Long   2.12, 3.79 A
assign (resid   30 and name  HB1) (resid   30 and name  HD1) 3.65 1.85 1.85 ! 0.8891  630:1  Intra  3.99, 4.03 A
assign (resid   16 and name  HB1) (resid   16 and name  HD2) 3.15 1.35 1.35 ! 0.0000  632:1  Intra  3.83, 3.88 A
assign (resid   16 and name  HG1) (resid   16 and name  HD2) 2.65 0.85 0.85 ! 0.0000  633:1  Intra  2.66, 2.69 A
assign (resid   27 and name   HB) (resid   27 and name   HA) 3.15 1.35 1.35 ! 0.9164  634:1  Intra  3.04, 3.04 A
assign (resid   30 and name  HG2) (resid   30 and name  HD1) 2.65 0.85 0.85 ! 0.7516  635:1  Ambig  2.67, 2.70 A
    or (resid   16 and name  HG1) (resid    1 and name   HA)                ! 0.2484  635:1  -----  3.21, 4.42 A
assign (resid   30 and name  HG1) (resid   30 and name  HD1) 2.65 0.85 0.85 ! 0.0000  636:1  Intra  2.32, 2.34 A
assign (resid   30 and name  HG2) (resid   30 and name  HD2) 2.30 0.50 0.50 ! 0.5190  637:1  Ambig  2.28, 2.31 A
    or (resid   16 and name  HG1) (resid   16 and name  HD1)                ! 0.4810  637:1  -----  2.30, 2.32 A
assign (resid   30 and name  HG1) (resid   30 and name  HD2) 2.65 0.85 0.85 ! 0.8189  638:1  Intra  2.98, 2.99 A
assign (resid   16 and name  HG2) (resid   16 and name  HD1) 2.65 0.85 0.85 ! 0.9962  639:1  Intra  2.98, 3.00 A
assign (resid   16 and name  HG2) (resid   16 and name  HD2) 2.65 0.85 0.85 ! 0.0000  640:1  Intra  2.31, 2.34 A
assign (resid   11 and name HG11) (resid   11 and name   HA) 3.15 1.35 1.35 ! 0.9413  641:1  Intra  2.97, 3.03 A
assign (resid   24 and name HG2*) (resid   24 and name   HB) 2.30 0.50 0.50 ! 0.0000  642:1  Intra  2.42, 2.64 A
assign (resid    1 and name HG2*) (resid    1 and name   HA) 3.15 1.35 1.35 ! 0.0000  643:1  Intra  2.38, 3.27 A
assign (resid   27 and name HG2*) (resid   27 and name   HA) 2.65 0.85 0.85 ! 0.0000  644:1  Intra  2.52, 3.19 A
assign (resid   18 and name HG1*) (resid    1 and name   HA) 2.30 0.50 0.50 ! 0.6891  645:1  Ambig  2.08, 3.59 A
    or (resid   23 and name HG2*) (resid   23 and name   HB)                ! 0.2975  645:1  -----  2.40, 2.64 A
assign (resid   11 and name HG2*) (resid   11 and name   HA) 2.65 0.85 0.85 ! 0.8510  646:1  Intra  2.55, 3.17 A
assign (resid   27 and name HG1*) (resid   27 and name   HA) 2.65 0.85 0.85 ! 0.0000  647:1  Intra  2.47, 3.12 A
assign (resid   11 and name HD1*) (resid   11 and name   HA) 3.65 1.85 1.85 ! 0.9170  648:1  Intra  4.41, 4.66 A
assign (resid   25 and name   HA) (resid   25 and name  HB1) 4.15 2.35 2.35 ! 0.7544  649:1  Ambig  3.01, 3.03 A
    or (resid   25 and name   HA) (resid    8 and name  HB1)                ! 0.2351  649:1  -----  3.66, 4.11 A
assign (resid   31 and name   HA) (resid   31 and name  HB1) 3.65 1.85 1.85 ! 0.0000  650:1  Intra  2.40, 2.46 A
assign (resid    4 and name   HA) (resid    4 and name  HB*) 3.15 1.35 1.35 ! 0.0000  651:1  Intra  2.44, 2.76 A
assign (resid    9 and name  HA2) (resid   33 and name  HB2) 3.65 1.85 1.85 ! 0.6655  653:1  Ambig  3.73, 3.79 A
    or (resid    7 and name   HA) (resid   33 and name  HB2)                ! 0.2609  653:1  -----  4.36, 4.55 A
assign (resid   30 and name  HD1) (resid   29 and name  HB*) 2.65 0.85 0.85 ! 0.0000  654:1  Seq    2.47, 3.37 A
assign (resid   23 and name   HB) (resid   35 and name  HB1) 3.15 1.35 1.35 ! 0.0000  655:1  Long   1.92, 2.25 A
assign (resid    3 and name  HB2) (resid  101 and name   H1) 3.65 1.85 1.85 ! 0.0000  656:1  Long   2.25, 2.80 A
assign (resid    9 and name  HA1) (resid   33 and name  HB2) 3.15 1.35 1.35 ! 0.8111  657:1  Long   2.81, 2.82 A
assign (resid   30 and name  HD2) (resid   29 and name  HB*) 2.30 0.50 0.50 ! 0.0000  658:1  Seq    2.32, 3.12 A
assign (resid   16 and name   HA) (resid   16 and name  HB1) 3.65 1.85 1.85 ! 0.0000  670:1  Intra  2.26, 2.30 A
assign (resid    7 and name   HA) (resid    7 and name  HG1) 3.65 1.85 1.85 ! 0.9601  671:1  Intra  2.49, 2.58 A
assign (resid   30 and name   HA) (resid   30 and name  HB1) 3.15 1.35 1.35 ! 0.9910  672:1  Intra  2.27, 2.30 A
assign (resid    7 and name   HA) (resid    7 and name  HB2) 3.65 1.85 1.85 ! 0.0000  673:1  Intra  2.37, 2.46 A
assign (resid   30 and name  HD1) (resid   30 and name  HG2) 2.65 0.85 0.85 ! 0.7516  674:1  Ambig  2.67, 2.70 A
    or (resid    1 and name   HA) (resid   16 and name  HG1)                ! 0.2484  674:1  -----  3.21, 4.42 A
assign (resid   16 and name  HD2) (resid   16 and name  HB1) 3.15 1.35 1.35 ! 0.0000  675:1  Intra  3.83, 3.88 A
assign (resid   16 and name  HD1) (resid   16 and name  HG1) 2.30 0.50 0.50 ! 0.0000  677:1  Intra  2.30, 2.32 A
assign (resid   35 and name  HB1) (resid   19 and name  HB2) 3.65 1.85 1.85 ! 0.9329  678:1  Long   3.23, 3.62 A
assign (resid   11 and name HD1*) (resid   30 and name  HB1) 3.15 1.35 1.35 ! 0.0000  688:1  Long   2.57, 3.57 A
assign (resid   30 and name   HA) (resid   30 and name  HG1) 3.65 1.85 1.85 ! 0.8868  689:1  Intra  3.25, 3.45 A
assign (resid    7 and name   HA) (resid    7 and name  HB1) 3.65 1.85 1.85 ! 0.5323  690:1  Ambig  3.00, 3.02 A
    or (resid    7 and name   HA) (resid   34 and name  HB*)                ! 0.4629  690:1  -----  3.07, 3.74 A
assign (resid   18 and name   HA) (resid   18 and name   HB) 3.15 1.35 1.35 ! 0.9910  692:1  Intra  2.42, 2.45 A
assign (resid   27 and name   HA) (resid   27 and name   HB) 3.15 1.35 1.35 ! 0.9164  693:1  Intra  3.04, 3.04 A
assign (resid   30 and name  HD1) (resid   30 and name  HG1) 2.65 0.85 0.85 ! 0.6977  694:1  Ambig  2.32, 2.34 A
    or (resid    1 and name   HA) (resid   16 and name  HB2)                ! 0.2892  694:1  -----  2.68, 3.20 A
assign (resid   11 and name   HA) (resid   11 and name HG11) 2.65 0.85 0.85 ! 0.9936  695:1  Intra  2.97, 3.03 A
assign (resid    5 and name   HA) (resid    5 and name  HB*) 2.65 0.85 0.85 ! 0.0000  696:1  Intra  2.41, 2.64 A
assign (resid   20 and name   HA) (resid   20 and name  HB*) 2.65 0.85 0.85 ! 0.7261  697:1  Ambig  2.42, 2.64 A
    or (resid    1 and name   HB) (resid   20 and name  HB*)                ! 0.2739  697:1  -----  2.85, 4.99 A
assign (resid   16 and name  HD2) (resid   16 and name  HG2) 2.65 0.85 0.85 ! 0.9845  698:1  Intra  2.31, 2.34 A
assign (resid   16 and name  HD2) (resid   16 and name  HG1) 3.15 1.35 1.35 ! 0.0000  699:1  Intra  2.66, 2.69 A
assign (resid   30 and name  HD2) (resid   30 and name  HG1) 2.65 0.85 0.85 ! 0.8148  700:1  Intra  2.98, 2.99 A
assign (resid   16 and name  HD2) (resid   16 and name  HB2) 3.65 1.85 1.85 ! 0.0000  701:1  Intra  4.04, 4.07 A
assign (resid    2 and name  HG1) (resid    2 and name  HB2) 3.15 1.35 1.35 ! 0.9428  702:1  Intra  2.99, 3.01 A
assign (resid    2 and name  HG1) (resid    2 and name  HB1) 3.65 1.85 1.85 ! 0.0000  703:1  Intra  2.41, 2.44 A
assign (resid   16 and name  HB1) (resid   16 and name  HG2) 2.65 0.85 0.85 ! 0.8040  704:1  Intra  2.96, 2.99 A
assign (resid   34 and name  HG*) (resid   34 and name  HB*) 2.30 0.50 0.50 ! 0.6455  706:1  Ambig  2.28, 2.71 A
    or (resid   34 and name  HG*) (resid   28 and name   HG)                ! 0.3545  706:1  -----  2.52, 3.67 A
assign (resid   18 and name HG1*) (resid   18 and name   HB) 2.30 0.50 0.50 ! 0.5066  709:1  Ambig  2.37, 2.62 A
    or (resid   18 and name HG2*) (resid   18 and name   HB)                ! 0.4678  709:1  -----  2.41, 2.64 A
assign (resid   27 and name HG2*) (resid   27 and name   HB) 2.30 0.50 0.50 ! 0.9937  710:1  Intra  2.42, 2.64 A
assign (resid   27 and name HG1*) (resid   27 and name   HB) 2.30 0.50 0.50 ! 0.9681  711:1  Intra  2.41, 2.63 A
assign (resid   11 and name HD1*) (resid   11 and name HG11) 2.30 0.50 0.50 ! 0.0000  712:1  Intra  2.40, 2.63 A
assign (resid   30 and name   HA) (resid   30 and name  HB2) 3.15 1.35 1.35 ! 0.0000  713:1  Intra  2.83, 2.87 A
assign (resid    7 and name   HA) (resid    7 and name  HG2) 3.15 1.35 1.35 ! 0.9426  714:1  Intra  3.00, 3.13 A
assign (resid   11 and name   HA) (resid   11 and name   HB) 2.65 0.85 0.85 ! 0.5516  715:1  Ambig  3.03, 3.04 A
    or (resid    9 and name  HA1) (resid   17 and name HG2*)                ! 0.3703  715:1  -----  3.24, 4.80 A
assign (resid    1 and name   HB) (resid    1 and name HG2*) 3.15 1.35 1.35 ! 0.9818  716:1  Intra  2.44, 2.65 A
assign (resid    1 and name   HA) (resid    1 and name HG2*) 3.15 1.35 1.35 ! 0.0000  717:1  Intra  2.38, 3.27 A
assign (resid   30 and name  HD1) (resid   30 and name  HB2) 3.65 1.85 1.85 ! 0.0000  718:1  Intra  3.88, 3.98 A
assign (resid   24 and name   HB) (resid   24 and name HG2*) 2.65 0.85 0.85 ! 0.0000  719:1  Intra  2.42, 2.64 A
assign (resid   18 and name   HA) (resid   18 and name HG2*) 2.65 0.85 0.85 ! 0.9037  720:1  Intra  2.51, 3.13 A
assign (resid   23 and name   HB) (resid   23 and name HG2*) 2.30 0.50 0.50 ! 0.0000  721:1  Intra  2.40, 2.64 A
assign (resid   27 and name   HA) (resid   27 and name HG2*) 2.65 0.85 0.85 ! 0.0000  722:1  Intra  2.52, 3.19 A
assign (resid   11 and name   HA) (resid   11 and name HG12) 3.15 1.35 1.35 ! 0.9928  723:1  Intra  2.52, 2.57 A
assign (resid   27 and name   HA) (resid   27 and name HG1*) 2.65 0.85 0.85 ! 0.0000  724:1  Intra  2.47, 3.12 A
assign (resid   30 and name  HD2) (resid   30 and name  HB2) 3.15 1.35 1.35 ! 0.0000  725:1  Intra  2.87, 3.07 A
assign (resid   22 and name  HA2) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.7946  726:1  Ambig  4.69, 5.69 A
    or (resid   16 and name  HD1) (resid   18 and name HG1*)                ! 0.2054  726:1  -----  5.87, 7.21 A
assign (resid   19 and name  HB1) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.7529  727:1  Ambig  4.35, 5.08 A
    or (resid   19 and name  HB1) (resid   18 and name HG2*)                ! 0.1805  727:1  -----  5.52, 6.44 A
assign (resid   11 and name   HA) (resid   11 and name HG2*) 2.65 0.85 0.85 ! 0.8263  728:1  Intra  2.55, 3.17 A
assign (resid   12 and name  HA2) (resid   11 and name HG2*) 3.15 1.35 1.35 ! 0.0000  729:1  Seq    3.78, 4.73 A
assign (resid   33 and name  HB1) (resid   27 and name HG2*) 3.15 1.35 1.35 ! 0.9942  730:1  Long   2.66, 3.74 A
assign (resid    8 and name  HB2) (resid   17 and name HG2*) 3.65 1.85 1.85 ! 0.0000  731:1  Long   4.51, 5.73 A
assign (resid   30 and name  HG2) (resid   30 and name  HB2) 2.65 0.85 0.85 ! 0.0000  734:1  Intra  2.29, 2.31 A
assign (resid    7 and name  HB2) (resid    7 and name  HG2) 3.15 1.35 1.35 ! 0.0000  735:1  Intra  3.00, 3.01 A
assign (resid   18 and name   HB) (resid   18 and name HG1*) 2.30 0.50 0.50 ! 0.5133  736:1  Ambig  2.37, 2.62 A
    or (resid   18 and name   HB) (resid   18 and name HG2*)                ! 0.4741  736:1  -----  2.41, 2.64 A
assign (resid   27 and name   HB) (resid   27 and name HG2*) 2.30 0.50 0.50 ! 0.9937  737:1  Intra  2.42, 2.64 A
assign (resid   27 and name   HB) (resid   27 and name HG1*) 2.30 0.50 0.50 ! 0.9988  738:1  Intra  2.41, 2.63 A
assign (resid   28 and name   HG) (resid   28 and name HD2*) 2.65 0.85 0.85 ! 0.9340  740:1  Intra  2.43, 2.64 A
assign (resid   11 and name HD1*) (resid   11 and name   HB) 2.65 0.85 0.85 ! 0.0000  741:1  Intra  2.53, 3.16 A
assign (resid   11 and name HD1*) (resid   11 and name HG12) 2.30 0.50 0.50 ! 0.0000  742:1  Intra  2.41, 2.62 A
assign (resid   11 and name HD1*) (resid   11 and name HG2*) 2.30 0.50 0.50 ! 0.0000  743:1  Intra  2.00, 3.64 A
assign (resid   11 and name   HA) (resid   11 and name HD1*) 3.65 1.85 1.85 ! 0.0000  744:1  Intra  4.41, 4.66 A
assign (resid   30 and name  HB1) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.0000  745:1  Long   2.57, 3.57 A
assign (resid   11 and name HG11) (resid   11 and name HD1*) 2.30 0.50 0.50 ! 0.0000  746:1  Intra  2.40, 2.63 A
assign (resid   33 and name   HA) (resid   34 and name   HN) 3.15 1.35 1.35 ! 0.9854  747:1  Seq    2.25, 2.30 A
assign (resid   33 and name   HA) (resid   28 and name   HN) 3.15 1.35 1.35 ! 0.9677  748:1  Long   1.90, 1.99 A
assign (resid   35 and name   HA) (resid   36 and name   HN) 3.15 1.35 1.35 ! 0.8775  749:1  Seq    2.05, 2.09 A
assign (resid   33 and name   HA) (resid   33 and name  HB1) 3.65 1.85 1.85 ! 0.0000  750:1  Intra  2.43, 2.46 A
assign (resid    8 and name   HA) (resid    8 and name  HB2) 3.65 1.85 1.85 ! 0.0000  751:1  Intra  2.42, 2.45 A
assign (resid   33 and name   HA) (resid   27 and name   HA) 3.65 1.85 1.85 ! 0.0000  752:1  Long   2.34, 2.52 A
assign (resid    8 and name   HA) (resid    8 and name  HB1) 3.15 1.35 1.35 ! 0.9917  753:1  Intra  2.36, 2.39 A
assign (resid   33 and name   HA) (resid   33 and name  HB2) 3.65 1.85 1.85 ! 0.9342  754:1  Intra  3.04, 3.05 A
assign (resid    8 and name   HN) (resid   33 and name   HN) 3.65 1.85 1.85 ! 0.7174  756:1  Ambig  3.52, 3.72 A
    or (resid   32 and name   HN) (resid   33 and name   HN)                ! 0.2454  756:1  -----  4.20, 4.25 A
assign (resid   10 and name   HN) (resid   10 and name  HA2) 2.65 0.85 0.85 ! 0.8901  757:1  Intra  2.91, 2.94 A
assign (resid   24 and name   HN) (resid   23 and name   HB) 2.30 0.50 0.50 ! 0.0000  758:1  Seq    2.52, 2.76 A
assign (resid   33 and name   HN) (resid   10 and name  HA1) 3.15 1.35 1.35 ! 0.9596  759:1  Long   3.00, 3.43 A
assign (resid   31 and name  HE*) (resid   30 and name  HD2) 3.15 1.35 1.35 ! 0.9063  760:1  Seq    3.59, 5.45 A
assign (resid   34 and name HE22) (resid    5 and name   HA) 3.65 1.85 1.85 ! 0.0000  761:1  Long   2.46, 3.05 A
assign (resid   18 and name   HN) (resid   17 and name   HA) 3.65 1.85 1.85 ! 0.0000  762:1  Seq    2.73, 3.17 A
assign (resid   33 and name   HN) (resid   33 and name   HA) 3.15 1.35 1.35 ! 0.9878  763:1  Intra  2.93, 2.93 A
assign (resid   13 and name  HD*) (resid   15 and name   HN) 3.15 1.35 1.35 ! 0.7004  764:1  Ambig  3.20, 3.76 A
    or (resid   13 and name  HD*) (resid    8 and name   HA)                ! 0.2996  764:1  -----  3.68, 5.05 A
assign (resid   33 and name   HN) (resid   10 and name  HA2) 3.65 1.85 1.85 ! 0.0000  765:1  Long   3.54, 3.77 A
assign (resid   29 and name HD21) (resid   28 and name  HB1) 3.65 1.85 1.85 ! 0.9624  766:1  Seq    2.69, 3.97 A
assign (resid   11 and name   HN) (resid   11 and name HG2*) 3.65 1.85 1.85 ! 0.8216  767:1  Intra  4.35, 4.53 A
assign (resid    7 and name  HG2) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.9426  768:1  Intra  3.00, 3.13 A
assign (resid   23 and name HG2*) (resid   36 and name   HA) 3.15 1.35 1.35 ! 0.6702  769:1  Ambig  2.99, 4.43 A
    or (resid   18 and name HG1*) (resid   16 and name   HA)                ! 0.3025  769:1  -----  3.41, 4.77 A
assign (resid   28 and name HD1*) (resid   28 and name   HA) 3.15 1.35 1.35 ! 0.7471  770:1  Ambig  4.34, 4.70 A
    or (resid   18 and name HG1*) (resid   17 and name   HB)                ! 0.1855  770:1  -----  5.47, 6.73 A
assign (resid   27 and name HG2*) (resid   26 and name   HA) 3.15 1.35 1.35 ! 0.0000  771:1  Seq    3.48, 4.63 A
assign (resid   11 and name HG2*) (resid   12 and name  HA1) 3.15 1.35 1.35 ! 0.6539  772:1  Ambig  3.59, 4.74 A
    or (resid   27 and name HG2*) (resid   10 and name  HA2)                ! 0.3293  772:1  -----  4.02, 5.38 A
assign (resid   27 and name HG1*) (resid   33 and name   HA) 3.65 1.85 1.85 ! 0.0000  773:1  Long   4.33, 5.19 A
assign (resid   27 and name HG1*) (resid   28 and name   HA) 3.65 1.85 1.85 ! 0.0000  774:1  Seq    4.24, 5.39 A
assign (resid   27 and name HG1*) (resid   30 and name   HA) 3.65 1.85 1.85 ! 0.0000  775:1  Mid    2.26, 2.82 A
assign (resid   11 and name   HB) (resid   31 and name   HA) 3.15 1.35 1.35 ! 0.0000  776:1  Long   2.67, 3.21 A
assign (resid   17 and name HG2*) (resid   15 and name   HN) 3.65 1.85 1.85 ! 0.6565  777:1  Ambig  3.88, 5.21 A
    or (resid   17 and name HG2*) (resid    8 and name   HA)                ! 0.3435  777:1  -----  4.32, 5.46 A
assign (resid   11 and name   HB) (resid   11 and name   HA) 3.15 1.35 1.35 ! 0.5646  778:1  Ambig  3.03, 3.04 A
    or (resid   17 and name HG2*) (resid    9 and name  HA1)                ! 0.3790  778:1  -----  3.24, 4.80 A
assign (resid   11 and name HG12) (resid   11 and name   HA) 3.15 1.35 1.35 ! 0.9928  779:1  Intra  2.52, 2.57 A
assign (resid   27 and name HG2*) (resid   33 and name   HA) 3.65 1.85 1.85 ! 0.0000  780:1  Long   4.55, 5.46 A
assign (resid   28 and name HD2*) (resid   33 and name   HA) 3.65 1.85 1.85 ! 0.8953  781:1  Long   4.46, 5.31 A
assign (resid   19 and name  HB1) (resid   35 and name  HB1) 2.65 0.85 0.85 ! 0.0000  782:1  Long   2.17, 2.35 A
assign (resid   26 and name  HG1) (resid   26 and name  HB1) 2.65 0.85 0.85 ! 0.0000  783:1  Intra  2.43, 2.95 A
assign (resid    2 and name  HB2) (resid    2 and name  HG1) 2.65 0.85 0.85 ! 0.0000  784:1  Intra  2.99, 3.01 A
assign (resid   16 and name  HG1) (resid   16 and name  HB1) 2.30 0.50 0.50 ! 0.0000  785:1  Intra  2.31, 2.32 A
assign (resid   26 and name  HB2) (resid   26 and name  HG2) 2.65 0.85 0.85 ! 0.9674  786:1  Intra  2.44, 2.96 A
assign (resid    7 and name  HB1) (resid    7 and name  HG1) 2.65 0.85 0.85 ! 0.8526  788:1  Intra  3.00, 3.01 A
assign (resid   30 and name  HB2) (resid   30 and name  HG2) 2.65 0.85 0.85 ! 0.0000  789:1  Intra  2.29, 2.31 A
assign (resid    7 and name  HG1) (resid    7 and name  HB1) 2.65 0.85 0.85 ! 0.8482  790:1  Intra  3.00, 3.01 A
assign (resid   30 and name  HB1) (resid   30 and name  HG1) 2.30 0.50 0.50 ! 0.6151  791:1  Ambig  2.26, 2.30 A
    or (resid   26 and name  HG2) (resid   26 and name  HB2)                ! 0.3820  791:1  -----  2.44, 2.96 A
assign (resid   26 and name  HG2) (resid   26 and name  HB1) 2.30 0.50 0.50 ! 0.6395  792:1  Ambig  2.44, 2.52 A
    or (resid   30 and name  HB1) (resid   30 and name  HG2)                ! 0.3605  792:1  -----  2.68, 2.75 A
assign (resid   36 and name   HG) (resid   36 and name HD2*) 2.30 0.50 0.50 ! 0.4895  795:1  Ambig  2.41, 2.63 A
    or (resid   36 and name   HG) (resid   36 and name HD1*)                ! 0.4805  795:1  -----  2.42, 2.63 A
assign (resid    7 and name  HB1) (resid    7 and name  HG2) 2.65 0.85 0.85 ! 0.9961  796:1  Intra  2.36, 2.44 A
assign (resid   30 and name  HG1) (resid   30 and name  HB2) 3.15 1.35 1.35 ! 0.0000  797:1  Intra  2.94, 2.97 A
assign (resid    7 and name  HG2) (resid    7 and name  HB1) 2.65 0.85 0.85 ! 0.9961  799:1  Intra  2.36, 2.44 A
assign (resid    2 and name  HB1) (resid   35 and name  HB2) 3.15 1.35 1.35 ! 0.5288  800:1  Ambig  3.40, 4.52 A
    or (resid   28 and name  HB2) (resid   32 and name  HB*)                ! 0.4564  800:1  -----  3.48, 4.60 A
assign (resid   30 and name  HB2) (resid   30 and name  HD2) 3.65 1.85 1.85 ! 0.0000  801:1  Intra  2.87, 3.07 A
assign (resid   36 and name   HG) (resid   36 and name   HA) 3.15 1.35 1.35 ! 0.9945  802:1  Intra  3.04, 3.11 A
assign (resid   16 and name  HB2) (resid   16 and name  HD2) 3.15 1.35 1.35 ! 0.5739  804:1  Ambig  4.04, 4.07 A
    or (resid   27 and name   HB) (resid   33 and name  HB1)                ! 0.2834  804:1  -----  4.54, 4.73 A
assign (resid   28 and name HD1*) (resid   32 and name  HE*) 3.15 1.35 1.35 ! 0.0000  805:1  Mid    2.24, 5.39 A
assign (resid   11 and name HG2*) (resid   31 and name  HD*) 3.15 1.35 1.35 ! 0.0000  806:1  Long   3.29, 6.00 A
assign (resid   33 and name   HN) (resid    8 and name   HN) 3.15 1.35 1.35 ! 0.7345  807:1  Ambig  3.52, 3.72 A
    or (resid   33 and name   HN) (resid   32 and name   HN)                ! 0.2513  807:1  -----  4.20, 4.25 A
assign (resid   13 and name  HD*) (resid   13 and name   HN) 3.15 1.35 1.35 ! 0.6000  808:1  Ambig  4.61, 4.74 A
    or (resid   13 and name  HD*) (resid    8 and name   HN)                ! 0.4000  808:1  -----  4.93, 5.95 A
assign (resid   13 and name  HD*) (resid   14 and name   HN) 3.15 1.35 1.35 ! 0.9905  809:1  Seq    3.22, 4.36 A
assign (resid   32 and name  HD*) (resid   29 and name   HN) 3.65 1.85 1.85 ! 0.6344  811:1  Ambig  3.35, 5.06 A
    or (resid    7 and name HE22) (resid   10 and name   HN)                ! 0.1791  811:1  -----  4.13, 4.35 A
assign (resid   36 and name   HN) (resid   24 and name   HN) 2.65 0.85 0.85 ! 0.9853  812:1  Long   2.58, 2.80 A
assign (resid    7 and name HE22) (resid   13 and name   HN) 3.65 1.85 1.85 ! 0.4271  813:1  Ambig  4.39, 5.13 A
    or (resid   32 and name  HD*) (resid   32 and name   HN)                ! 0.2883  813:1  -----  4.68, 4.89 A
    or (resid    7 and name HE22) (resid   32 and name   HN)                ! 0.1477  813:1  -----  5.24, 5.73 A
assign (resid   11 and name HG12) (resid   11 and name   HN) 3.65 1.85 1.85 ! 0.0000  814:1  Intra  3.34, 3.43 A
assign (resid   29 and name  HB*) (resid   27 and name HG1*) 3.65 1.85 1.85 ! 0.0000  815:1  Mid    5.62, 6.38 A
assign (resid   29 and name  HB*) (resid   28 and name  HB1) 3.65 1.85 1.85 ! 0.8077  816:1  Seq    4.55, 5.47 A
assign (resid   29 and name  HB*) (resid   28 and name  HB2) 3.65 1.85 1.85 ! 0.7593  817:1  Ambig  3.85, 4.65 A
    or (resid   29 and name  HB*) (resid   30 and name  HG1)                ! 0.2407  817:1  -----  4.66, 5.39 A
assign (resid   29 and name  HB*) (resid   30 and name  HG2) 3.65 1.85 1.85 ! 0.0000  818:1  Seq    4.50, 5.33 A
assign (resid   35 and name  HB1) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.0000  819:1  Long   3.26, 4.24 A
assign (resid   35 and name  HB2) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.4897  820:1  Ambig  3.38, 4.89 A
    or (resid   33 and name  HB2) (resid   27 and name HG2*)                ! 0.3625  820:1  -----  3.55, 4.74 A
assign (resid   19 and name  HB1) (resid   35 and name  HB2) 3.65 1.85 1.85 ! 0.0000  821:1  Long   3.47, 3.69 A
assign (resid   28 and name   HG) (resid   28 and name HD1*) 3.15 1.35 1.35 ! 0.5084  822:1  Ambig  2.39, 2.62 A
    or (resid   34 and name  HB*) (resid   28 and name HD1*)                ! 0.4916  822:1  -----  2.40, 5.08 A
assign (resid   34 and name  HB*) (resid   36 and name   HG) 3.15 1.35 1.35 ! 0.0000  823:1  Mid    3.26, 4.59 A
assign (resid    7 and name  HG2) (resid    7 and name  HB2) 2.65 0.85 0.85 ! 0.0000  824:1  Intra  3.00, 3.01 A
assign (resid   11 and name HG12) (resid   11 and name HD1*) 2.65 0.85 0.85 ! 0.0000  825:1  Intra  2.41, 2.62 A
assign (resid   30 and name  HG2) (resid   29 and name  HB*) 3.15 1.35 1.35 ! 0.0000  826:1  Seq    4.50, 5.33 A
assign (resid   19 and name  HB2) (resid   35 and name  HB1) 3.15 1.35 1.35 ! 0.9722  828:1  Long   3.23, 3.62 A
assign (resid   30 and name  HG1) (resid   29 and name   HA) 3.65 1.85 1.85 ! 0.0000  829:1  Seq    3.97, 4.03 A
assign (resid   28 and name  HB1) (resid   29 and name HD21) 3.65 1.85 1.85 ! 0.0000  830:1  Seq    2.69, 3.97 A
assign (resid    9 and name   HN) (resid   10 and name   HN) 3.65 1.85 1.85 ! 0.9955  831:1  Seq    2.22, 2.51 A
assign (resid    9 and name   HN) (resid    7 and name HE21) 3.65 1.85 1.85 ! 0.9632  832:1  Mid    4.17, 4.49 A
assign (resid    9 and name   HN) (resid   13 and name  HD*) 3.15 1.35 1.35 ! 0.8960  833:1  Mid    3.74, 5.10 A
assign (resid    9 and name   HN) (resid    7 and name  HB2) 4.15 2.35 2.35 ! 0.0000  835:1  Mid    4.96, 5.32 A
assign (resid    9 and name   HN) (resid    8 and name  HB2) 3.65 1.85 1.85 ! 0.0000  836:1  Seq    3.85, 4.01 A
assign (resid   13 and name  HE*) (resid    2 and name  HG2) 3.65 1.85 1.85 ! 0.8086  837:1  Long   4.07, 5.43 A
assign (resid   13 and name  HE*) (resid    9 and name  HA1) 3.65 1.85 1.85 ! 0.7055  838:1  Ambig  5.38, 7.10 A
    or (resid   13 and name  HE*) (resid   14 and name  HB2)                ! 0.1541  838:1  -----  6.93, 7.86 A
assign (resid   29 and name HD21) (resid   30 and name  HD1) 4.15 2.35 2.35 ! 0.0000  839:1  Seq    4.96, 5.48 A
assign (resid    8 and name   HN) (resid   33 and name  HB1) 3.65 1.85 1.85 ! 0.9394  840:1  Long   4.09, 4.25 A
assign (resid   31 and name   HN) (resid   11 and name HG11) 3.65 1.85 1.85 ! 0.8361  841:1  Long   4.66, 5.08 A
assign (resid   28 and name   HN) (resid   33 and name  HB1) 3.65 1.85 1.85 ! 0.5517  842:1  Ambig  3.31, 3.58 A
    or (resid   27 and name   HN) (resid   33 and name  HB1)                ! 0.3694  842:1  -----  3.54, 3.68 A
assign (resid   10 and name   HN) (resid    9 and name   HN) 3.65 1.85 1.85 ! 0.9962  843:1  Seq    2.22, 2.51 A
assign (resid   10 and name   HN) (resid   13 and name  HD*) 3.65 1.85 1.85 ! 0.7263  844:1  Ambig  3.12, 4.14 A
    or (resid   10 and name   HN) (resid    7 and name HE22)                ! 0.1341  844:1  -----  4.13, 4.35 A
assign (resid   10 and name   HN) (resid   33 and name   HN) 3.65 1.85 1.85 ! 0.7024  845:1  Ambig  3.28, 3.56 A
    or (resid   31 and name   HN) (resid   31 and name  HE*)                ! 0.1228  845:1  -----  4.38, 5.46 A
assign (resid   11 and name   HN) (resid   31 and name  HD*) 3.65 1.85 1.85 ! 0.8658  847:1  Long   3.31, 4.74 A
assign (resid    7 and name   HN) (resid    2 and name HE22) 3.65 1.85 1.85 ! 0.0000  848:1  Long   3.26, 4.21 A
assign (resid   34 and name   HN) (resid   33 and name   HN) 3.65 1.85 1.85 ! 0.7396  849:1  Ambig  4.27, 4.33 A
    or (resid   12 and name   HN) (resid   31 and name  HE*)                ! 0.1703  849:1  -----  5.45, 7.66 A
assign (resid   36 and name   HN) (resid   26 and name HE21) 3.65 1.85 1.85 ! 0.7598  851:1  Ambig  3.46, 3.98 A
    or (resid   26 and name   HN) (resid   26 and name HE21)                ! 0.2402  851:1  -----  4.19, 4.99 A
assign (resid    5 and name   HN) (resid    4 and name  HD2) 3.65 1.85 1.85 ! 0.0000  852:1  Seq    3.36, 3.77 A
assign (resid   24 and name   HN) (resid   26 and name HE21) 3.65 1.85 1.85 ! 0.0000  853:1  Mid    3.35, 4.00 A
assign (resid   13 and name   HN) (resid    7 and name HE22) 3.15 1.35 1.35 ! 0.2797  854:1  Ambig  4.39, 5.13 A
    or (resid   13 and name   HN) (resid   13 and name  HD*)                ! 0.2071  854:1  -----  4.61, 4.74 A
    or (resid   32 and name   HN) (resid   32 and name  HD*)                ! 0.1888  854:1  -----  4.68, 4.89 A
    or (resid    8 and name   HN) (resid   13 and name  HD*)                ! 0.1381  854:1  -----  4.93, 5.95 A
assign (resid   13 and name   HN) (resid    7 and name HE21) 3.15 1.35 1.35 ! 0.3954  855:1  Ambig  3.83, 4.92 A
    or (resid   32 and name   HN) (resid   31 and name  HD*)                ! 0.2928  855:1  -----  4.03, 5.02 A
    or (resid   32 and name   HN) (resid    7 and name HE21)                ! 0.1473  855:1  -----  4.52, 5.25 A
assign (resid   11 and name HD1*) (resid   31 and name   HA) 3.65 1.85 1.85 ! 0.0000  858:1  Long   4.32, 5.53 A
assign (resid   13 and name  HB2) (resid   10 and name  HA2) 3.65 1.85 1.85 ! 0.5613  859:1  Ambig  4.53, 4.60 A
    or (resid   13 and name  HB2) (resid   12 and name  HA1)                ! 0.4387  859:1  -----  4.72, 4.93 A
assign (resid   33 and name   HA) (resid   34 and name   HN) 2.30 0.50 0.50 ! 0.9854    0:2  Seq    2.25, 2.30 A
assign (resid   35 and name   HA) (resid   36 and name   HN) 2.30 0.50 0.50 ! 0.8775    1:2  Seq    2.05, 2.09 A
assign (resid   32 and name   HN) (resid   31 and name   HN) 2.30 0.50 0.50 ! 0.9373    3:2  Seq    1.91, 2.06 A
assign (resid   33 and name   HA) (resid   28 and name   HN) 2.30 0.50 0.50 ! 0.9677    4:2  Long   1.90, 1.99 A
assign (resid   35 and name   HA) (resid   35 and name   HN) 3.15 1.35 1.35 ! 0.0000    5:2  Intra  2.84, 2.87 A
assign (resid   31 and name  HE*) (resid   31 and name  HD*) 2.30 0.50 0.50 ! 0.0000    6:2  Intra  2.41, 3.68 A
assign (resid   32 and name  HE*) (resid   32 and name  HD*) 2.30 0.50 0.50 ! 0.9888    8:2  Intra  2.44, 3.68 A
assign (resid   13 and name  HE*) (resid   13 and name  HD*) 2.30 0.50 0.50 ! 0.9797    9:2  Intra  2.44, 3.68 A
assign (resid    8 and name   HA) (resid   13 and name  HD*) 3.65 1.85 1.85 ! 0.9668   10:2  Long   3.68, 5.05 A
assign (resid   31 and name  HD*) (resid   31 and name  HE*) 2.30 0.50 0.50 ! 0.0000   11:2  Intra  2.41, 3.68 A
assign (resid   32 and name  HD*) (resid   32 and name  HE*) 2.30 0.50 0.50 ! 0.9888   12:2  Intra  2.44, 3.68 A
assign (resid   13 and name  HD*) (resid   13 and name  HE*) 2.30 0.50 0.50 ! 0.0000   13:2  Intra  2.44, 3.68 A
assign (resid   33 and name   HA) (resid   33 and name   HN) 3.15 1.35 1.35 ! 0.9955   14:2  Intra  2.93, 2.93 A
assign (resid    8 and name   HA) (resid   13 and name  HE*) 2.65 0.85 0.85 ! 0.0000   15:2  Long   2.30, 4.13 A
assign (resid   24 and name   HN) (resid   23 and name   HA) 3.15 1.35 1.35 ! 0.0000   17:2  Seq    2.16, 2.27 A
assign (resid   34 and name   HN) (resid   35 and name   HA) 3.65 1.85 1.85 ! 0.0000   18:2  Seq    4.82, 4.90 A
assign (resid   34 and name   HN) (resid   33 and name   HA) 2.30 0.50 0.50 ! 0.9986   19:2  Seq    2.25, 2.30 A
assign (resid   36 and name   HN) (resid   35 and name   HA) 2.30 0.50 0.50 ! 0.8821   20:2  Seq    2.05, 2.09 A
assign (resid   34 and name   HN) (resid   34 and name   HA) 3.15 1.35 1.35 ! 0.0000   22:2  Intra  2.88, 2.91 A
assign (resid   28 and name   HN) (resid   33 and name   HA) 2.30 0.50 0.50 ! 0.9858   23:2  Long   1.90, 1.99 A
assign (resid   29 and name   HN) (resid   29 and name   HA) 2.65 0.85 0.85 ! 0.7742   24:2  Ambig  2.90, 2.91 A
    or (resid   31 and name   HN) (resid   29 and name   HA)                ! 0.1318   24:2  -----  3.90, 4.15 A
assign (resid   35 and name   HN) (resid   35 and name   HA) 3.15 1.35 1.35 ! 0.0000   25:2  Intra  2.84, 2.87 A
assign (resid   35 and name   HN) (resid   34 and name   HA) 2.30 0.50 0.50 ! 0.9987   26:2  Seq    2.17, 2.28 A
assign (resid   13 and name  HE*) (resid    8 and name   HA) 2.65 0.85 0.85 ! 0.9300   27:2  Long   2.30, 4.13 A
assign (resid   26 and name   HN) (resid   25 and name   HA) 2.30 0.50 0.50 ! 0.9131   28:2  Seq    2.12, 2.15 A
assign (resid    2 and name   HN) (resid    2 and name   HA) 2.65 0.85 0.85 ! 0.5200   29:2  Ambig  2.79, 2.88 A
    or (resid   28 and name   HN) (resid   28 and name   HA)                ! 0.4362   29:2  -----  2.87, 2.89 A
assign (resid   13 and name   HN) (resid   13 and name   HA) 2.65 0.85 0.85 ! 0.5383   30:2  Ambig  2.79, 2.83 A
    or (resid   32 and name   HN) (resid   32 and name   HA)                ! 0.4409   30:2  -----  2.88, 2.90 A
assign (resid   32 and name   HN) (resid   31 and name   HA) 3.15 1.35 1.35 ! 0.8953   31:2  Seq    3.41, 3.48 A
assign (resid   13 and name   HN) (resid   12 and name  HA1) 3.15 1.35 1.35 ! 0.8326   32:2  Seq    3.00, 3.13 A
assign (resid   32 and name   HN) (resid   30 and name   HA) 3.65 1.85 1.85 ! 0.0000   33:2  Mid    4.17, 4.39 A
assign (resid    4 and name  HD2) (resid   36 and name   HA) 3.15 1.35 1.35 ! 0.9996   34:2  Long   2.02, 2.23 A
assign (resid    4 and name  HD2) (resid    4 and name   HA) 3.15 1.35 1.35 ! 0.9951   35:2  Intra  2.87, 3.08 A
assign (resid   32 and name  HD*) (resid   32 and name   HA) 2.65 0.85 0.85 ! 0.7374   36:2  Ambig  2.54, 3.49 A
    or (resid    7 and name HE22) (resid   32 and name   HA)                ! 0.1871   36:2  -----  3.20, 3.79 A
assign (resid   13 and name  HD*) (resid   13 and name   HA) 2.65 0.85 0.85 ! 0.9732   37:2  Intra  2.31, 3.47 A
assign (resid   31 and name  HD*) (resid   31 and name   HA) 2.65 0.85 0.85 ! 0.0000   38:2  Intra  2.61, 3.52 A
assign (resid   13 and name  HD*) (resid    9 and name  HA2) 2.65 0.85 0.85 ! 0.9939   39:2  Mid    2.51, 4.51 A
assign (resid   33 and name   HN) (resid   32 and name   HA) 2.30 0.50 0.50 ! 0.9778   40:2  Seq    2.04, 2.08 A
assign (resid   32 and name  HE*) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.0000   41:2  Long   3.23, 4.67 A
assign (resid   13 and name  HE*) (resid   17 and name   HA) 3.15 1.35 1.35 ! 0.0000   42:2  Mid    2.11, 5.01 A
assign (resid   13 and name  HE*) (resid   17 and name   HB) 3.15 1.35 1.35 ! 0.5722   43:2  Ambig  4.25, 7.16 A
    or (resid   13 and name  HE*) (resid   13 and name   HA)                ! 0.3625   43:2  -----  4.59, 5.30 A
assign (resid   13 and name  HE*) (resid    9 and name  HA2) 3.15 1.35 1.35 ! 0.8662   44:2  Mid    4.23, 5.89 A
assign (resid    8 and name   HA) (resid   17 and name   HA) 2.65 0.85 0.85 ! 0.9366   45:2  Long   2.87, 3.25 A
assign (resid   35 and name   HA) (resid   25 and name   HA) 2.30 0.50 0.50 ! 0.9862   47:2  Long   2.11, 2.28 A
assign (resid   24 and name   HN) (resid   23 and name   HB) 2.65 0.85 0.85 ! 0.0000   48:2  Seq    2.52, 2.76 A
assign (resid   34 and name   HN) (resid   27 and name   HA) 3.15 1.35 1.35 ! 0.8929   49:2  Long   3.88, 4.02 A
assign (resid   36 and name   HN) (resid   23 and name   HB) 2.65 0.85 0.85 ! 0.9817   51:2  Long   3.07, 3.24 A
assign (resid   34 and name   HN) (resid   33 and name  HB1) 2.65 0.85 0.85 ! 0.0000   52:2  Seq    3.09, 3.23 A
assign (resid   28 and name   HN) (resid   27 and name   HA) 2.30 0.50 0.50 ! 0.8389   53:2  Seq    2.16, 2.23 A
assign (resid   13 and name  HD*) (resid    9 and name  HA1) 3.15 1.35 1.35 ! 0.7484   54:2  Ambig  4.12, 6.00 A
    or (resid   13 and name  HD*) (resid   10 and name  HA1)                ! 0.1998   54:2  -----  5.13, 5.57 A
assign (resid   31 and name  HD*) (resid   30 and name  HD2) 3.15 1.35 1.35 ! 0.9829   55:2  Seq    2.50, 4.59 A
assign (resid   13 and name  HE*) (resid   15 and name  HA1) 3.15 1.35 1.35 ! 0.0000   56:2  Mid    2.97, 3.65 A
assign (resid   33 and name   HA) (resid   27 and name   HA) 2.30 0.50 0.50 ! 0.9991   57:2  Long   2.34, 2.52 A
assign (resid   33 and name   HA) (resid   33 and name  HB1) 2.30 0.50 0.50 ! 0.0000   58:2  Intra  2.43, 2.46 A
assign (resid    8 and name   HA) (resid    8 and name  HB2) 2.30 0.50 0.50 ! 0.9984   59:2  Intra  2.42, 2.45 A
assign (resid   35 and name   HA) (resid   23 and name   HB) 3.15 1.35 1.35 ! 0.0000   60:2  Long   3.31, 3.59 A
assign (resid   36 and name   HN) (resid   35 and name  HB1) 3.15 1.35 1.35 ! 0.9424   61:2  Seq    3.31, 3.48 A
assign (resid   34 and name   HN) (resid   33 and name  HB2) 3.15 1.35 1.35 ! 0.9008   62:2  Seq    3.92, 4.03 A
assign (resid   31 and name   HN) (resid   29 and name  HB*) 3.15 1.35 1.35 ! 0.4824   63:2  Ambig  2.40, 2.93 A
    or (resid   29 and name   HN) (resid   29 and name  HB*)                ! 0.4376   63:2  -----  2.44, 3.09 A
assign (resid   31 and name   HN) (resid   31 and name  HB2) 3.15 1.35 1.35 ! 0.5205   64:2  Ambig  2.43, 2.58 A
    or (resid   10 and name   HN) (resid   13 and name  HB1)                ! 0.4522   64:2  -----  2.49, 2.62 A
assign (resid   29 and name   HN) (resid   32 and name  HB*) 3.15 1.35 1.35 ! 0.7849   65:2  Ambig  2.93, 4.05 A
    or (resid   28 and name   HN) (resid   33 and name  HB2)                ! 0.0662   65:2  -----  4.42, 4.62 A
assign (resid   35 and name   HN) (resid   35 and name  HB1) 3.15 1.35 1.35 ! 0.9900   66:2  Intra  3.55, 3.61 A
assign (resid   35 and name   HN) (resid   35 and name  HB2) 2.65 0.85 0.85 ! 0.9960   67:2  Intra  2.46, 2.53 A
assign (resid   13 and name   HN) (resid   13 and name  HB2) 2.30 0.50 0.50 ! 0.4531   68:2  Ambig  2.57, 2.68 A
    or (resid   32 and name   HN) (resid   32 and name  HB*)                ! 0.3757   68:2  -----  2.65, 2.85 A
assign (resid    4 and name  HD2) (resid    4 and name  HB*) 3.15 1.35 1.35 ! 0.0000   69:2  Intra  2.78, 3.43 A
assign (resid   31 and name  HD*) (resid   31 and name  HB1) 2.30 0.50 0.50 ! 0.0000   70:2  Intra  2.33, 3.05 A
assign (resid   31 and name  HD*) (resid   29 and name  HB*) 3.15 1.35 1.35 ! 0.0000   71:2  Mid    3.44, 5.87 A
assign (resid    7 and name HE21) (resid   31 and name  HB2) 3.65 1.85 1.85 ! 0.4430   72:2  Ambig  4.98, 5.78 A
    or (resid   18 and name   HN) (resid    8 and name  HB1)                ! 0.3375   72:2  -----  5.21, 5.91 A
    or (resid   18 and name   HN) (resid   25 and name  HB1)                ! 0.1829   72:2  -----  5.77, 7.12 A
assign (resid   31 and name  HD*) (resid   31 and name  HB2) 2.30 0.50 0.50 ! 0.0000   73:2  Intra  2.28, 3.05 A
assign (resid   13 and name  HD*) (resid   13 and name  HB1) 2.30 0.50 0.50 ! 0.9969   74:2  Intra  2.25, 3.01 A
assign (resid   32 and name  HD*) (resid   32 and name  HB*) 2.30 0.50 0.50 ! 0.7404   75:2  Ambig  2.33, 3.05 A
    or (resid    7 and name HE22) (resid   13 and name  HB2)                ! 0.2368   75:2  -----  2.82, 3.26 A
assign (resid   13 and name  HD*) (resid   13 and name  HB2) 2.30 0.50 0.50 ! 0.0000   76:2  Intra  2.53, 3.09 A
assign (resid   31 and name  HE*) (resid   31 and name  HB1) 3.65 1.85 1.85 ! 0.0000   77:2  Intra  4.60, 5.05 A
assign (resid   31 and name  HE*) (resid   31 and name  HB2) 3.15 1.35 1.35 ! 0.0000   78:2  Intra  4.57, 5.05 A
assign (resid   33 and name   HN) (resid   33 and name  HB2) 2.65 0.85 0.85 ! 0.9446   79:2  Intra  2.62, 2.69 A
assign (resid   32 and name  HE*) (resid   32 and name  HB*) 3.15 1.35 1.35 ! 0.9213   80:2  Intra  4.61, 5.05 A
assign (resid   13 and name  HE*) (resid   13 and name  HB1) 3.15 1.35 1.35 ! 0.5356   81:2  Ambig  4.56, 5.03 A
    or (resid   13 and name  HE*) (resid    8 and name  HB1)                ! 0.4644   81:2  -----  4.67, 6.33 A
assign (resid   33 and name   HA) (resid   33 and name  HB2) 2.65 0.85 0.85 ! 0.9342   82:2  Intra  3.04, 3.05 A
assign (resid   35 and name   HA) (resid   35 and name  HB1) 2.30 0.50 0.50 ! 0.0000   84:2  Intra  2.40, 2.43 A
assign (resid   35 and name   HA) (resid   35 and name  HB2) 2.65 0.85 0.85 ! 0.9934   86:2  Intra  3.00, 3.02 A
assign (resid   26 and name   HN) (resid   26 and name  HG1) 2.65 0.85 0.85 ! 0.5973   87:2  Ambig  2.74, 2.97 A
    or (resid   36 and name   HN) (resid   26 and name  HG1)                ! 0.3913   87:2  -----  2.94, 3.30 A
assign (resid   36 and name   HN) (resid   26 and name  HG2) 3.15 1.35 1.35 ! 0.5041   88:2  Ambig  2.65, 4.76 A
    or (resid   26 and name   HN) (resid   26 and name  HG2)                ! 0.4666   88:2  -----  2.68, 3.76 A
assign (resid   34 and name   HN) (resid   34 and name  HG*) 3.15 1.35 1.35 ! 0.0000   89:2  Intra  2.39, 3.03 A
assign (resid   35 and name   HN) (resid   34 and name  HG*) 3.15 1.35 1.35 ! 0.0000   90:2  Seq    2.63, 4.03 A
assign (resid   32 and name  HD*) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.7332   91:2  Ambig  2.89, 4.61 A
    or (resid    7 and name HE22) (resid    7 and name  HG1)                ! 0.2668   91:2  -----  3.42, 3.58 A
assign (resid   32 and name  HD*) (resid    7 and name  HB2) 3.15 1.35 1.35 ! 0.8483   92:2  Long   2.58, 4.67 A
assign (resid   32 and name  HE*) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.0000   93:2  Long   3.55, 5.19 A
assign (resid   32 and name  HE*) (resid    7 and name  HB2) 2.65 0.85 0.85 ! 0.8447   94:2  Long   2.05, 4.15 A
assign (resid    8 and name   HA) (resid    2 and name  HG2) 3.15 1.35 1.35 ! 0.9808   95:2  Long   2.16, 2.65 A
assign (resid   26 and name   HN) (resid   26 and name  HB1) 3.15 1.35 1.35 ! 0.6937   97:2  Ambig  3.61, 3.71 A
    or (resid   34 and name   HN) (resid   26 and name  HB1)                ! 0.2071   97:2  -----  4.41, 4.80 A
assign (resid   26 and name   HN) (resid   26 and name  HB2) 2.65 0.85 0.85 ! 0.8306   98:2  Intra  2.41, 2.57 A
assign (resid   12 and name   HN) (resid   11 and name HG11) 3.65 1.85 1.85 ! 0.7037   99:2  Ambig  5.00, 5.06 A
    or (resid   34 and name   HN) (resid   36 and name  HB*)                ! 0.2963   99:2  -----  5.77, 6.60 A
assign (resid   34 and name   HN) (resid   34 and name  HB*) 2.65 0.85 0.85 ! 0.6615  100:2  Ambig  2.39, 3.49 A
    or (resid   34 and name   HN) (resid   28 and name   HG)                ! 0.3378  100:2  -----  2.67, 2.85 A
assign (resid   36 and name   HN) (resid   36 and name  HB*) 2.30 0.50 0.50 ! 0.9569  101:2  Intra  2.46, 3.17 A
assign (resid   36 and name   HN) (resid   36 and name   HG) 2.65 0.85 0.85 ! 0.7934  102:2  Ambig  2.95, 3.13 A
    or (resid   26 and name   HN) (resid   36 and name   HG)                ! 0.2066  102:2  -----  3.69, 4.18 A
assign (resid   27 and name   HN) (resid   27 and name   HB) 2.65 0.85 0.85 ! 0.4768  103:2  Ambig  2.45, 2.50 A
    or (resid   28 and name   HN) (resid   28 and name  HB2)                ! 0.4748  103:2  -----  2.45, 2.55 A
assign (resid   28 and name   HN) (resid   28 and name   HG) 2.65 0.85 0.85 ! 0.9307  104:2  Intra  2.29, 2.44 A
assign (resid    4 and name  HE1) (resid    5 and name  HB*) 3.65 1.85 1.85 ! 0.0000  105:2  Seq    3.36, 4.80 A
assign (resid   35 and name   HN) (resid   34 and name  HB*) 3.15 1.35 1.35 ! 0.9979  106:2  Seq    2.33, 3.24 A
assign (resid    4 and name  HD2) (resid    5 and name  HB*) 3.65 1.85 1.85 ! 0.0000  107:2  Seq    4.63, 6.17 A
assign (resid   32 and name  HD*) (resid   28 and name  HB2) 2.65 0.85 0.85 ! 0.0000  108:2  Mid    2.60, 4.71 A
assign (resid   32 and name  HD*) (resid   28 and name   HG) 2.65 0.85 0.85 ! 0.5597  109:2  Ambig  3.67, 5.68 A
    or (resid   32 and name  HD*) (resid   28 and name  HB1)                ! 0.4403  109:2  -----  3.82, 6.14 A
assign (resid   32 and name  HE*) (resid   34 and name  HB*) 2.65 0.85 0.85 ! 0.9575  110:2  Mid    2.23, 4.20 A
assign (resid   13 and name  HE*) (resid    7 and name  HB1) 3.15 1.35 1.35 ! 0.0000  111:2  Long   3.27, 4.58 A
assign (resid   33 and name   HA) (resid   28 and name  HB2) 3.15 1.35 1.35 ! 0.9520  112:2  Long   3.22, 3.52 A
assign (resid   33 and name   HA) (resid   28 and name   HG) 2.65 0.85 0.85 ! 0.9725  113:2  Long   2.64, 2.98 A
assign (resid   35 and name   HA) (resid   36 and name  HB*) 3.15 1.35 1.35 ! 0.0000  114:2  Seq    4.43, 5.07 A
assign (resid   12 and name   HN) (resid   11 and name HG2*) 2.65 0.85 0.85 ! 0.8219  115:2  Seq    2.96, 3.68 A
assign (resid   36 and name   HN) (resid   36 and name HD2*) 2.65 0.85 0.85 ! 0.2382  116:2  Ambig  3.98, 4.83 A
    or (resid   34 and name   HN) (resid   28 and name HD2*)                ! 0.2269  116:2  -----  4.02, 4.94 A
    or (resid   26 and name   HN) (resid   36 and name HD1*)                ! 0.1623  116:2  -----  4.25, 5.57 A
    or (resid   36 and name   HN) (resid   36 and name HD1*)                ! 0.1498  116:2  -----  4.30, 5.05 A
    or (resid   34 and name   HN) (resid   36 and name HD1*)                ! 0.0827  116:2  -----  4.75, 5.62 A
assign (resid   27 and name   HN) (resid   27 and name HG2*) 2.65 0.85 0.85 ! 0.9227  117:2  Intra  2.00, 2.98 A
assign (resid    4 and name  HE1) (resid   36 and name HD2*) 3.65 1.85 1.85 ! 0.7972  118:2  Ambig  3.70, 4.67 A
    or (resid   29 and name   HN) (resid   28 and name HD2*)                ! 0.1662  118:2  -----  4.81, 5.34 A
assign (resid   28 and name   HN) (resid   27 and name HG1*) 2.65 0.85 0.85 ! 0.6705  119:2  Ambig  3.54, 4.33 A
    or (resid   27 and name   HN) (resid   27 and name HG1*)                ! 0.1893  119:2  -----  4.37, 4.51 A
assign (resid    4 and name  HD2) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  120:2  Long   2.17, 3.29 A
assign (resid    4 and name  HD2) (resid   36 and name HD2*) 3.65 1.85 1.85 ! 0.9938  121:2  Long   2.47, 4.14 A
assign (resid   31 and name  HD*) (resid   11 and name   HB) 2.65 0.85 0.85 ! 0.0000  122:2  Long   2.57, 4.03 A
assign (resid   13 and name  HD*) (resid   17 and name HG2*) 3.15 1.35 1.35 ! 0.0000  123:2  Mid    2.01, 5.16 A
assign (resid   31 and name  HD*) (resid   30 and name  HB2) 3.15 1.35 1.35 ! 0.0000  124:2  Seq    3.24, 4.53 A
assign (resid   32 and name  HD*) (resid   28 and name HD1*) 2.65 0.85 0.85 ! 0.0000  125:2  Mid    2.05, 5.47 A
assign (resid   31 and name  HD*) (resid   11 and name HG2*) 3.15 1.35 1.35 ! 0.0000  126:2  Long   3.29, 6.00 A
assign (resid   32 and name  HD*) (resid   28 and name HD2*) 3.65 1.85 1.85 ! 0.0000  127:2  Mid    5.56, 7.84 A
assign (resid   31 and name  HE*) (resid   11 and name   HB) 3.15 1.35 1.35 ! 0.0000  128:2  Long   2.68, 4.24 A
assign (resid   31 and name  HE*) (resid   30 and name  HB2) 3.15 1.35 1.35 ! 0.0000  129:2  Seq    3.49, 4.66 A
assign (resid   32 and name  HE*) (resid   28 and name HD1*) 3.15 1.35 1.35 ! 0.0000  130:2  Mid    2.24, 5.39 A
assign (resid   31 and name  HE*) (resid   11 and name HG2*) 2.65 0.85 0.85 ! 0.7532  131:2  Ambig  2.80, 5.43 A
    or (resid   34 and name HE22) (resid   28 and name HD1*)                ! 0.2468  131:2  -----  3.37, 4.79 A
assign (resid   13 and name  HE*) (resid   17 and name HG2*) 2.65 0.85 0.85 ! 0.0000  133:2  Mid    2.82, 5.87 A
assign (resid   13 and name  HE*) (resid    7 and name  HG2) 3.15 1.35 1.35 ! 0.0000  134:2  Long   3.70, 4.38 A
assign (resid    8 and name   HA) (resid   17 and name HG2*) 3.15 1.35 1.35 ! 0.0000  135:2  Long   4.32, 5.46 A
assign (resid   33 and name   HA) (resid   28 and name HD1*) 3.15 1.35 1.35 ! 0.6860  136:2  Ambig  3.99, 4.98 A
    or (resid   33 and name   HA) (resid   27 and name HG2*)                ! 0.3140  136:2  -----  4.55, 5.46 A
assign (resid   33 and name   HA) (resid   27 and name HG1*) 3.15 1.35 1.35 ! 0.0000  137:2  Long   4.33, 5.19 A
assign (resid   35 and name   HA) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.0000  138:2  Long   5.10, 5.92 A
assign (resid   35 and name   HA) (resid   36 and name HD2*) 3.15 1.35 1.35 ! 0.7028  139:2  Ambig  4.91, 5.94 A
    or (resid   35 and name   HA) (resid   36 and name HD1*)                ! 0.2972  139:2  -----  5.67, 6.37 A
assign (resid   31 and name  HD*) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.0000  140:2  Long   4.20, 6.06 A
assign (resid   31 and name  HE*) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.0000  141:2  Long   3.62, 5.46 A
assign (resid   26 and name   HA) (resid   26 and name   HN) 2.65 0.85 0.85 ! 0.8703  142:2  Intra  2.87, 2.91 A
assign (resid   25 and name   HA) (resid   26 and name   HN) 2.30 0.50 0.50 ! 0.9269  143:2  Seq    2.12, 2.15 A
assign (resid   36 and name   HA) (resid   36 and name   HN) 2.65 0.85 0.85 ! 0.9545  144:2  Intra  2.90, 2.91 A
assign (resid   27 and name   HA) (resid   34 and name   HN) 3.15 1.35 1.35 ! 0.5701  145:2  Ambig  3.88, 4.02 A
    or (resid   24 and name   HB) (resid   36 and name   HN)                ! 0.1667  145:2  -----  4.77, 4.89 A
    or (resid   24 and name   HB) (resid   26 and name   HN)                ! 0.1327  145:2  -----  4.95, 5.22 A
assign (resid   23 and name   HB) (resid   36 and name   HN) 2.65 0.85 0.85 ! 0.9817  146:2  Long   3.07, 3.24 A
assign (resid   33 and name  HB1) (resid   34 and name   HN) 2.65 0.85 0.85 ! 0.7865  147:2  Ambig  3.09, 3.23 A
    or (resid   33 and name  HB1) (resid   26 and name   HN)                ! 0.2088  147:2  -----  3.85, 4.06 A
assign (resid   35 and name  HB1) (resid   36 and name   HN) 3.15 1.35 1.35 ! 0.9325  148:2  Seq    3.31, 3.48 A
assign (resid   33 and name  HB2) (resid   34 and name   HN) 3.15 1.35 1.35 ! 0.4652  149:2  Ambig  3.92, 4.03 A
    or (resid   35 and name  HB2) (resid   36 and name   HN)                ! 0.3449  149:2  -----  4.12, 4.24 A
assign (resid   26 and name  HB1) (resid   26 and name   HN) 3.15 1.35 1.35 ! 0.6937  150:2  Ambig  3.61, 3.71 A
    or (resid   26 and name  HB1) (resid   34 and name   HN)                ! 0.2071  150:2  -----  4.41, 4.80 A
assign (resid   28 and name   HG) (resid   34 and name   HN) 2.65 0.85 0.85 ! 0.9679  151:2  Long   2.67, 2.85 A
assign (resid   26 and name  HB2) (resid   26 and name   HN) 2.65 0.85 0.85 ! 0.8306  152:2  Intra  2.41, 2.57 A
assign (resid   36 and name  HB*) (resid   36 and name   HN) 2.65 0.85 0.85 ! 0.9386  155:2  Intra  2.46, 3.17 A
assign (resid   36 and name   HG) (resid   36 and name   HN) 3.15 1.35 1.35 ! 0.7132  156:2  Ambig  2.95, 3.13 A
    or (resid   36 and name   HG) (resid   26 and name   HN)                ! 0.1857  156:2  -----  3.69, 4.18 A
assign (resid   36 and name HD2*) (resid   36 and name   HN) 2.65 0.85 0.85 ! 0.3438  157:2  Ambig  3.98, 4.83 A
    or (resid   36 and name HD1*) (resid   26 and name   HN)                ! 0.2343  157:2  -----  4.25, 5.57 A
    or (resid   36 and name HD1*) (resid   36 and name   HN)                ! 0.2162  157:2  -----  4.30, 5.05 A
    or (resid   36 and name HD1*) (resid   34 and name   HN)                ! 0.1194  157:2  -----  4.75, 5.62 A
assign (resid   28 and name   HA) (resid   28 and name   HN) 2.65 0.85 0.85 ! 0.7385  158:2  Ambig  2.87, 2.89 A
    or (resid   28 and name   HA) (resid   29 and name   HN)                ! 0.2333  158:2  -----  3.48, 3.50 A
assign (resid   27 and name   HA) (resid   28 and name   HN) 2.30 0.50 0.50 ! 0.8260  159:2  Seq    2.16, 2.23 A
assign (resid   29 and name  HB*) (resid   31 and name   HN) 3.15 1.35 1.35 ! 0.4810  160:2  Ambig  2.40, 2.93 A
    or (resid   29 and name  HB*) (resid   29 and name   HN)                ! 0.4363  160:2  -----  2.44, 3.09 A
assign (resid   35 and name  HB1) (resid   35 and name   HN) 3.15 1.35 1.35 ! 0.9900  161:2  Intra  3.55, 3.61 A
assign (resid   31 and name  HB2) (resid   31 and name   HN) 3.15 1.35 1.35 ! 0.5120  162:2  Ambig  2.43, 2.58 A
    or (resid   13 and name  HB1) (resid   10 and name   HN)                ! 0.4448  162:2  -----  2.49, 2.62 A
assign (resid   35 and name  HB2) (resid    6 and name   HN) 3.15 1.35 1.35 ! 0.3655  163:2  Ambig  2.79, 3.29 A
    or (resid   33 and name  HB2) (resid   10 and name   HN)                ! 0.2789  163:2  -----  2.92, 3.12 A
    or (resid   32 and name  HB*) (resid   29 and name   HN)                ! 0.2719  163:2  -----  2.93, 4.05 A
assign (resid   35 and name  HB2) (resid   35 and name   HN) 2.65 0.85 0.85 ! 0.9960  164:2  Intra  2.46, 2.53 A
assign (resid   34 and name  HG*) (resid   35 and name   HN) 3.15 1.35 1.35 ! 0.0000  165:2  Seq    2.63, 4.03 A
assign (resid   28 and name  HB2) (resid   29 and name   HN) 2.30 0.50 0.50 ! 0.7261  166:2  Ambig  1.84, 1.88 A
    or (resid   28 and name  HB2) (resid   28 and name   HN)                ! 0.1298  166:2  -----  2.45, 2.55 A
assign (resid   28 and name  HB1) (resid   29 and name   HN) 2.65 0.85 0.85 ! 0.8011  167:2  Seq    2.84, 3.02 A
assign (resid   28 and name   HG) (resid   28 and name   HN) 3.15 1.35 1.35 ! 0.9372  168:2  Intra  2.29, 2.44 A
assign (resid   27 and name HG2*) (resid   27 and name   HN) 3.15 1.35 1.35 ! 0.9891  169:2  Intra  2.00, 2.98 A
assign (resid   27 and name HG1*) (resid   28 and name   HN) 2.65 0.85 0.85 ! 0.5618  170:2  Ambig  3.54, 4.33 A
    or (resid   27 and name HG1*) (resid   29 and name   HN)                ! 0.1622  170:2  -----  4.35, 5.09 A
    or (resid   27 and name HG1*) (resid   27 and name   HN)                ! 0.1586  170:2  -----  4.37, 4.51 A
assign (resid   13 and name   HA) (resid   13 and name   HN) 2.65 0.85 0.85 ! 0.5390  171:2  Ambig  2.79, 2.83 A
    or (resid   32 and name   HA) (resid   32 and name   HN)                ! 0.4415  171:2  -----  2.88, 2.90 A
assign (resid   31 and name   HA) (resid   32 and name   HN) 3.15 1.35 1.35 ! 0.8953  172:2  Seq    3.41, 3.48 A
assign (resid   10 and name  HA1) (resid   13 and name   HN) 3.15 1.35 1.35 ! 0.3904  173:2  Ambig  4.00, 4.23 A
    or (resid   10 and name  HA1) (resid   32 and name   HN)                ! 0.2978  173:2  -----  4.19, 4.32 A
    or (resid    9 and name  HA1) (resid    8 and name   HN)                ! 0.2311  173:2  -----  4.37, 4.50 A
assign (resid   13 and name  HB1) (resid   13 and name   HN) 3.15 1.35 1.35 ! 0.5580  174:2  Ambig  2.44, 2.54 A
    or (resid   31 and name  HB2) (resid   32 and name   HN)                ! 0.2328  174:2  -----  2.83, 2.95 A
    or (resid    8 and name  HB1) (resid    8 and name   HN)                ! 0.2034  174:2  -----  2.89, 2.98 A
assign (resid   32 and name  HB*) (resid   32 and name   HN) 2.65 0.85 0.85 ! 0.6938  175:2  Ambig  2.65, 2.85 A
    or (resid   33 and name  HB2) (resid    8 and name   HN)                ! 0.2917  175:2  -----  3.07, 3.25 A
assign (resid   13 and name  HB2) (resid   13 and name   HN) 2.65 0.85 0.85 ! 0.9881  177:2  Intra  2.57, 2.68 A
assign (resid   13 and name   HA) (resid   13 and name  HD*) 2.30 0.50 0.50 ! 0.5603  178:2  Ambig  2.31, 3.47 A
    or (resid   32 and name   HA) (resid   32 and name  HD*)                ! 0.3148  178:2  -----  2.54, 3.49 A
assign (resid    4 and name   HA) (resid    4 and name  HD2) 3.65 1.85 1.85 ! 0.9951  179:2  Intra  2.87, 3.08 A
assign (resid   31 and name   HA) (resid   31 and name  HD*) 2.65 0.85 0.85 ! 0.9350  180:2  Intra  2.61, 3.52 A
assign (resid    9 and name  HA2) (resid   13 and name  HD*) 2.30 0.50 0.50 ! 0.9971  182:2  Mid    2.51, 4.51 A
assign (resid   10 and name  HA1) (resid    7 and name HE22) 2.65 0.85 0.85 ! 0.6218  183:2  Ambig  3.49, 3.64 A
    or (resid    9 and name  HA1) (resid   13 and name  HD*)                ! 0.2295  183:2  -----  4.12, 6.00 A
assign (resid    4 and name  HB*) (resid    4 and name  HD2) 3.15 1.35 1.35 ! 0.0000  184:2  Intra  2.78, 3.43 A
assign (resid   31 and name  HB1) (resid   31 and name  HD*) 2.30 0.50 0.50 ! 0.9662  185:2  Intra  2.33, 3.05 A
assign (resid   29 and name  HB*) (resid   31 and name  HD*) 3.65 1.85 1.85 ! 0.9668  186:2  Mid    3.44, 5.87 A
assign (resid   31 and name  HB2) (resid   31 and name  HD*) 2.30 0.50 0.50 ! 0.8896  187:2  Intra  2.28, 3.05 A
assign (resid   32 and name  HB*) (resid   32 and name  HD*) 2.30 0.50 0.50 ! 0.9702  188:2  Intra  2.33, 3.05 A
assign (resid   13 and name  HB2) (resid   13 and name  HD*) 2.30 0.50 0.50 ! 0.6592  189:2  Ambig  2.53, 3.09 A
    or (resid   13 and name  HB2) (resid    7 and name HE22)                ! 0.3408  189:2  -----  2.82, 3.26 A
assign (resid   13 and name  HB1) (resid   13 and name  HD*) 2.30 0.50 0.50 ! 0.9744  190:2  Intra  2.25, 3.01 A
assign (resid    7 and name  HG1) (resid   32 and name  HD*) 3.15 1.35 1.35 ! 0.6917  191:2  Ambig  2.89, 4.61 A
    or (resid    7 and name  HG1) (resid    7 and name HE22)                ! 0.2517  191:2  -----  3.42, 3.58 A
assign (resid   28 and name  HB2) (resid   32 and name  HD*) 2.65 0.85 0.85 ! 0.0000  192:2  Mid    2.60, 4.71 A
assign (resid   28 and name  HB1) (resid   32 and name  HD*) 3.15 1.35 1.35 ! 0.0000  193:2  Mid    3.82, 6.14 A
assign (resid   11 and name   HB) (resid   31 and name  HD*) 2.65 0.85 0.85 ! 0.9959  194:2  Long   2.57, 4.03 A
assign (resid   17 and name HG2*) (resid   13 and name  HD*) 3.15 1.35 1.35 ! 0.9992  195:2  Mid    2.01, 5.16 A
assign (resid   11 and name HG2*) (resid   31 and name  HD*) 3.15 1.35 1.35 ! 0.0000  196:2  Long   3.29, 6.00 A
assign (resid   28 and name HD1*) (resid   32 and name  HD*) 3.15 1.35 1.35 ! 0.0000  197:2  Mid    2.05, 5.47 A
assign (resid   11 and name HD1*) (resid   31 and name  HD*) 3.65 1.85 1.85 ! 0.0000  198:2  Long   4.20, 6.06 A
assign (resid   32 and name   HA) (resid   33 and name   HN) 2.30 0.50 0.50 ! 0.9995  199:2  Seq    2.04, 2.08 A
assign (resid    7 and name   HA) (resid   32 and name  HE*) 3.15 1.35 1.35 ! 0.0000  200:2  Long   3.23, 4.67 A
assign (resid   15 and name  HA1) (resid   13 and name  HE*) 3.15 1.35 1.35 ! 0.0000  201:2  Mid    2.97, 3.65 A
assign (resid   33 and name  HB2) (resid   33 and name   HN) 2.65 0.85 0.85 ! 0.9419  202:2  Intra  2.62, 2.69 A
assign (resid    7 and name  HG1) (resid   32 and name  HE*) 3.15 1.35 1.35 ! 0.0000  203:2  Long   3.55, 5.19 A
assign (resid   34 and name  HG*) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.0000  204:2  Mid    2.72, 5.32 A
assign (resid    7 and name  HB2) (resid   32 and name  HE*) 2.65 0.85 0.85 ! 0.0000  205:2  Long   2.05, 4.15 A
assign (resid   34 and name  HB*) (resid   32 and name  HE*) 2.65 0.85 0.85 ! 0.9356  206:2  Mid    2.23, 4.20 A
assign (resid   17 and name HG2*) (resid   13 and name  HE*) 2.65 0.85 0.85 ! 0.0000  208:2  Mid    2.82, 5.87 A
assign (resid   11 and name HG2*) (resid   31 and name  HE*) 3.15 1.35 1.35 ! 0.0000  209:2  Long   2.80, 5.43 A
assign (resid   11 and name HD1*) (resid   31 and name  HE*) 3.15 1.35 1.35 ! 0.0000  210:2  Long   3.62, 5.46 A
assign (resid   25 and name   HA) (resid   35 and name   HA) 2.30 0.50 0.50 ! 0.0000  211:2  Long   2.11, 2.28 A
assign (resid    7 and name   HA) (resid   34 and name   HA) 2.30 0.50 0.50 ! 0.0000  212:2  Long   2.20, 2.55 A
assign (resid   27 and name   HA) (resid   33 and name   HA) 2.30 0.50 0.50 ! 0.9988  213:2  Long   2.34, 2.52 A
assign (resid   30 and name  HD1) (resid   29 and name   HA) 2.30 0.50 0.50 ! 0.9483  214:2  Seq    2.03, 2.11 A
assign (resid  101 and name   H2) (resid  101 and name   H1) 2.65 0.85 0.85 ! 0.9987  215:2  Intra  2.50, 2.70 A
assign (resid    3 and name  HB1) (resid  101 and name   H1) 2.65 0.85 0.85 ! 0.9379  216:2  Long   2.33, 2.69 A
assign (resid   23 and name   HB) (resid   23 and name   HA) 2.30 0.50 0.50 ! 0.9983  217:2  Intra  2.46, 2.50 A
assign (resid   33 and name  HB1) (resid   33 and name   HA) 2.30 0.50 0.50 ! 0.9962  218:2  Intra  2.43, 2.46 A
assign (resid    8 and name  HB2) (resid    8 and name   HA) 2.30 0.50 0.50 ! 0.9984  219:2  Intra  2.42, 2.45 A
assign (resid  101 and name   H4) (resid  101 and name   H1) 3.15 1.35 1.35 ! 0.9497  220:2  Intra  2.13, 3.49 A
assign (resid   35 and name  HB1) (resid   35 and name   HA) 2.30 0.50 0.50 ! 0.0000  222:2  Intra  2.40, 2.43 A
assign (resid   29 and name  HB*) (resid   29 and name   HA) 2.30 0.50 0.50 ! 0.0000  223:2  Intra  2.42, 2.74 A
assign (resid   33 and name  HB2) (resid   33 and name   HA) 2.65 0.85 0.85 ! 0.8834  224:2  Intra  3.04, 3.05 A
assign (resid    8 and name  HB1) (resid    8 and name   HA) 2.30 0.50 0.50 ! 0.9456  225:2  Intra  2.36, 2.39 A
assign (resid   35 and name  HB2) (resid   35 and name   HA) 2.65 0.85 0.85 ! 0.9934  226:2  Intra  3.00, 3.02 A
assign (resid   34 and name  HG*) (resid   34 and name   HA) 2.65 0.85 0.85 ! 0.0000  227:2  Intra  2.58, 3.66 A
assign (resid   28 and name   HG) (resid   33 and name   HA) 3.15 1.35 1.35 ! 0.0000  228:2  Long   2.64, 2.98 A
assign (resid   34 and name  HB*) (resid   34 and name   HA) 2.30 0.50 0.50 ! 0.9921  229:2  Intra  2.32, 2.46 A
assign (resid   27 and name HG1*) (resid   29 and name   HA) 3.15 1.35 1.35 ! 0.0000  230:2  Mid    3.92, 5.17 A
assign (resid   23 and name HG2*) (resid   23 and name   HA) 2.30 0.50 0.50 ! 0.9917  231:2  Intra  2.41, 3.06 A
assign (resid    3 and name  HB1) (resid    3 and name   HA) 2.65 0.85 0.85 ! 0.9384  232:2  Intra  2.30, 2.43 A
assign (resid    3 and name  HB2) (resid    3 and name   HA) 2.30 0.50 0.50 ! 0.5138  233:2  Ambig  2.44, 2.72 A
    or (resid   24 and name   HB) (resid   24 and name   HA)                ! 0.4455  233:2  -----  2.50, 2.54 A
assign (resid   14 and name  HB2) (resid   14 and name   HA) 2.30 0.50 0.50 ! 0.9986  234:2  Intra  2.52, 2.56 A
assign (resid   21 and name  HB*) (resid   21 and name   HA) 2.30 0.50 0.50 ! 0.0000  237:2  Intra  2.28, 2.68 A
assign (resid   19 and name  HB1) (resid   19 and name   HA) 2.65 0.85 0.85 ! 0.9989  239:2  Intra  2.41, 2.45 A
assign (resid    8 and name  HB2) (resid   17 and name   HA) 2.65 0.85 0.85 ! 0.9342  240:2  Long   2.87, 3.22 A
assign (resid   14 and name  HB1) (resid   14 and name   HA) 2.30 0.50 0.50 ! 0.9415  241:2  Intra  2.27, 2.33 A
assign (resid   30 and name  HD2) (resid   30 and name   HA) 3.15 1.35 1.35 ! 0.6435  244:2  Ambig  3.90, 3.93 A
    or (resid   22 and name  HA2) (resid   21 and name   HA)                ! 0.3455  244:2  -----  4.33, 4.39 A
assign (resid   25 and name  HB2) (resid   25 and name   HA) 2.30 0.50 0.50 ! 0.9695  245:2  Intra  2.46, 2.48 A
assign (resid   31 and name  HB1) (resid   31 and name   HA) 2.30 0.50 0.50 ! 0.0000  246:2  Intra  2.40, 2.46 A
assign (resid    4 and name  HB*) (resid    4 and name   HA) 2.30 0.50 0.50 ! 0.9967  247:2  Intra  2.44, 2.76 A
assign (resid    8 and name  HB1) (resid   17 and name   HA) 3.15 1.35 1.35 ! 0.4198  248:2  Ambig  4.19, 4.58 A
    or (resid    8 and name  HB1) (resid   19 and name   HA)                ! 0.3297  248:2  -----  4.36, 4.55 A
    or (resid   25 and name  HB1) (resid   17 and name   HA)                ! 0.1180  248:2  -----  5.18, 6.06 A
assign (resid   13 and name  HB2) (resid   13 and name   HA) 2.30 0.50 0.50 ! 0.9873  249:2  Intra  2.41, 2.53 A
assign (resid   13 and name  HB1) (resid   13 and name   HA) 3.15 1.35 1.35 ! 0.7306  250:2  Ambig  3.01, 3.03 A
    or (resid   31 and name  HB2) (resid   32 and name   HA)                ! 0.0709  250:2  -----  4.45, 4.62 A
assign (resid   32 and name  HB*) (resid   32 and name   HA) 2.65 0.85 0.85 ! 0.9616  252:2  Intra  2.45, 2.75 A
assign (resid   25 and name  HB1) (resid   25 and name   HA) 2.65 0.85 0.85 ! 0.7072  253:2  Ambig  3.01, 3.03 A
    or (resid    8 and name  HB1) (resid   25 and name   HA)                ! 0.2204  253:2  -----  3.66, 4.11 A
assign (resid   31 and name  HB2) (resid   31 and name   HA) 2.65 0.85 0.85 ! 0.9714  254:2  Intra  3.00, 3.02 A
assign (resid   26 and name  HG1) (resid   26 and name   HA) 3.15 1.35 1.35 ! 0.0000  255:2  Intra  2.94, 3.16 A
assign (resid   19 and name  HB2) (resid   19 and name   HA) 3.15 1.35 1.35 ! 0.8676  256:2  Intra  3.01, 3.03 A
assign (resid    7 and name  HG1) (resid   32 and name   HA) 2.65 0.85 0.85 ! 0.8933  257:2  Long   2.50, 2.90 A
assign (resid   26 and name  HG2) (resid   26 and name   HA) 2.65 0.85 0.85 ! 0.0000  258:2  Intra  2.44, 2.54 A
assign (resid   26 and name  HB1) (resid   26 and name   HA) 2.30 0.50 0.50 ! 0.9442  259:2  Intra  2.44, 2.47 A
assign (resid   19 and name  HB2) (resid   24 and name   HA) 2.65 0.85 0.85 ! 0.8768  260:2  Long   2.97, 3.35 A
assign (resid   16 and name  HB1) (resid   16 and name   HA) 2.30 0.50 0.50 ! 0.0000  261:2  Intra  2.26, 2.30 A
assign (resid    7 and name  HG1) (resid    7 and name   HA) 2.30 0.50 0.50 ! 0.9452  262:2  Intra  2.49, 2.58 A
assign (resid    7 and name  HB2) (resid    7 and name   HA) 2.30 0.50 0.50 ! 0.9989  263:2  Intra  2.37, 2.46 A
assign (resid   30 and name  HB1) (resid   30 and name   HA) 2.30 0.50 0.50 ! 0.0000  264:2  Intra  2.27, 2.30 A
assign (resid   28 and name  HB1) (resid   28 and name   HA) 2.30 0.50 0.50 ! 0.0000  265:2  Intra  2.41, 2.47 A
assign (resid    2 and name  HB1) (resid    2 and name   HA) 2.30 0.50 0.50 ! 0.7503  266:2  Ambig  2.52, 2.96 A
    or (resid   28 and name  HB2) (resid   28 and name   HA)                ! 0.2497  266:2  -----  3.02, 3.04 A
assign (resid    2 and name  HB2) (resid    2 and name   HA) 3.15 1.35 1.35 ! 0.9973  267:2  Intra  2.47, 2.58 A
assign (resid   26 and name  HB2) (resid   26 and name   HA) 2.65 0.85 0.85 ! 0.9099  268:2  Intra  3.00, 3.01 A
assign (resid   16 and name  HG2) (resid   16 and name   HA) 3.15 1.35 1.35 ! 0.8642  269:2  Intra  3.82, 3.86 A
assign (resid   16 and name  HB2) (resid   16 and name   HA) 2.65 0.85 0.85 ! 0.0000  270:2  Intra  2.74, 2.76 A
assign (resid    7 and name  HB1) (resid    7 and name   HA) 2.65 0.85 0.85 ! 0.5330  271:2  Ambig  3.00, 3.02 A
    or (resid   34 and name  HB*) (resid    7 and name   HA)                ! 0.4635  271:2  -----  3.07, 3.74 A
assign (resid   30 and name  HG1) (resid   30 and name   HA) 2.65 0.85 0.85 ! 0.8573  272:2  Intra  3.25, 3.45 A
assign (resid   18 and name   HB) (resid   18 and name   HA) 2.65 0.85 0.85 ! 0.9689  273:2  Intra  2.42, 2.45 A
assign (resid   20 and name  HB*) (resid    3 and name   HA) 3.15 1.35 1.35 ! 0.0000  274:2  Long   2.86, 3.84 A
assign (resid   36 and name  HB*) (resid   36 and name   HA) 2.30 0.50 0.50 ! 0.9951  275:2  Intra  2.46, 2.76 A
assign (resid   20 and name  HB*) (resid   20 and name   HA) 2.30 0.50 0.50 ! 0.7261  277:2  Ambig  2.42, 2.64 A
    or (resid   20 and name  HB*) (resid    1 and name   HB)                ! 0.2739  277:2  -----  2.85, 4.99 A
assign (resid   17 and name HG2*) (resid   17 and name   HA) 2.30 0.50 0.50 ! 0.0000  278:2  Intra  2.35, 2.98 A
assign (resid   17 and name HG2*) (resid   17 and name   HB) 2.30 0.50 0.50 ! 0.9924  279:2  Intra  2.43, 2.65 A
assign (resid   24 and name HG2*) (resid   24 and name   HA) 2.30 0.50 0.50 ! 0.9952  280:2  Intra  2.37, 3.01 A
assign (resid   11 and name   HB) (resid   31 and name   HA) 2.65 0.85 0.85 ! 0.0000  281:2  Long   2.67, 3.21 A
assign (resid    7 and name  HG2) (resid    7 and name   HA) 2.65 0.85 0.85 ! 0.9426  282:2  Intra  3.00, 3.13 A
assign (resid    1 and name HG2*) (resid   20 and name   HA) 2.65 0.85 0.85 ! 0.6622  283:2  Ambig  2.17, 3.39 A
    or (resid    1 and name HG2*) (resid    1 and name   HB)                ! 0.3327  283:2  -----  2.44, 2.65 A
assign (resid   30 and name  HB2) (resid   30 and name   HA) 2.65 0.85 0.85 ! 0.0000  284:2  Intra  2.83, 2.87 A
assign (resid   28 and name HD2*) (resid   28 and name   HA) 2.65 0.85 0.85 ! 0.9971  285:2  Intra  2.14, 2.98 A
assign (resid   36 and name HD2*) (resid   36 and name   HA) 2.30 0.50 0.50 ! 0.9894  286:2  Intra  2.07, 2.96 A
assign (resid   18 and name HG2*) (resid   18 and name   HA) 2.30 0.50 0.50 ! 0.6442  287:2  Ambig  2.51, 3.13 A
    or (resid   18 and name HG1*) (resid    1 and name   HB)                ! 0.1808  287:2  -----  3.10, 5.26 A
assign (resid   24 and name   HA) (resid   24 and name   HB) 2.30 0.50 0.50 ! 0.9385  288:2  Intra  2.50, 2.54 A
assign (resid    3 and name   HA) (resid    3 and name  HB2) 2.65 0.85 0.85 ! 0.0000  289:2  Intra  2.44, 2.72 A
assign (resid    3 and name   HA) (resid    3 and name  HB1) 2.65 0.85 0.85 ! 0.6776  290:2  Ambig  2.30, 2.43 A
    or (resid    3 and name   HA) (resid  101 and name   H2)                ! 0.2825  290:2  -----  2.66, 4.87 A
assign (resid   14 and name   HA) (resid   14 and name  HB2) 2.30 0.50 0.50 ! 0.9959  291:2  Intra  2.52, 2.56 A
assign (resid   14 and name   HA) (resid   14 and name  HB1) 2.30 0.50 0.50 ! 0.9523  292:2  Intra  2.27, 2.33 A
assign (resid   21 and name   HA) (resid   21 and name  HB*) 2.30 0.50 0.50 ! 0.0000  293:2  Intra  2.28, 2.68 A
assign (resid  101 and name   H3) (resid  101 and name   H5) 2.30 0.50 0.50 ! 0.5011  304:2  Ambig  2.42, 2.59 A
    or (resid    3 and name  HB1) (resid  101 and name   H5)                ! 0.3471  304:2  -----  2.57, 4.05 A
assign (resid   27 and name   HA) (resid   33 and name  HB1) 2.30 0.50 0.50 ! 0.8077  306:2  Long   1.99, 2.15 A
assign (resid   30 and name  HD2) (resid   30 and name  HG1) 2.65 0.85 0.85 ! 0.9939  309:2  Intra  2.98, 2.99 A
assign (resid   16 and name  HD2) (resid   15 and name  HA2) 2.65 0.85 0.85 ! 0.0000  313:2  Seq    2.53, 2.80 A
assign (resid   35 and name  HB1) (resid   19 and name  HB1) 2.65 0.85 0.85 ! 0.0000  316:2  Long   2.17, 2.35 A
assign (resid   35 and name  HB1) (resid   23 and name   HB) 2.65 0.85 0.85 ! 0.0000  317:2  Long   1.92, 2.25 A
assign (resid   29 and name  HB*) (resid   30 and name  HD1) 2.30 0.50 0.50 ! 0.9962  318:2  Seq    2.47, 3.37 A
assign (resid   29 and name  HB*) (resid   30 and name  HD2) 2.30 0.50 0.50 ! 0.0000  319:2  Seq    2.32, 3.12 A
assign (resid   33 and name  HB2) (resid    9 and name  HA1) 2.65 0.85 0.85 ! 0.8501  320:2  Ambig  2.81, 2.82 A
    or (resid   33 and name  HB2) (resid   10 and name  HA1)                ! 0.0000  320:2  -----  0.00, 0.00 A
assign (resid    2 and name  HG1) (resid    6 and name  HA1) 3.15 1.35 1.35 ! 0.0000  322:2  Mid    2.57, 2.95 A
assign (resid   34 and name  HG*) (resid    5 and name   HA) 2.65 0.85 0.85 ! 0.9737  323:2  Long   2.12, 3.79 A
assign (resid   30 and name  HB1) (resid   30 and name  HD1) 3.65 1.85 1.85 ! 0.8891  324:2  Intra  3.99, 4.03 A
assign (resid   30 and name  HG2) (resid   30 and name  HD1) 2.65 0.85 0.85 ! 0.7516  325:2  Ambig  2.67, 2.70 A
    or (resid   16 and name  HG1) (resid    1 and name   HA)                ! 0.2484  325:2  -----  3.21, 4.42 A
assign (resid   30 and name  HG2) (resid   30 and name  HD2) 2.30 0.50 0.50 ! 0.5190  326:2  Ambig  2.28, 2.31 A
    or (resid   16 and name  HG1) (resid   16 and name  HD1)                ! 0.4810  326:2  -----  2.30, 2.32 A
assign (resid   16 and name  HG1) (resid   16 and name  HD2) 2.65 0.85 0.85 ! 0.9860  328:2  Intra  2.66, 2.69 A
assign (resid   27 and name   HB) (resid   27 and name   HA) 2.65 0.85 0.85 ! 0.9099  329:2  Intra  3.04, 3.04 A
assign (resid   30 and name  HG1) (resid   30 and name  HD1) 2.30 0.50 0.50 ! 0.7070  330:2  Ambig  2.32, 2.34 A
    or (resid   16 and name  HB2) (resid    1 and name   HA)                ! 0.2930  330:2  -----  2.68, 3.20 A
assign (resid   30 and name  HG1) (resid   30 and name  HD2) 2.65 0.85 0.85 ! 0.8189  331:2  Intra  2.98, 2.99 A
assign (resid   16 and name  HG2) (resid   16 and name  HD1) 2.65 0.85 0.85 ! 0.9838  332:2  Intra  2.98, 3.00 A
assign (resid   16 and name  HG2) (resid   16 and name  HD2) 2.30 0.50 0.50 ! 0.0000  333:2  Intra  2.31, 2.34 A
assign (resid    5 and name  HB*) (resid    5 and name   HA) 2.30 0.50 0.50 ! 0.9768  334:2  Intra  2.41, 2.64 A
assign (resid   11 and name HG11) (resid   11 and name   HA) 2.65 0.85 0.85 ! 0.9413  335:2  Intra  2.97, 3.03 A
assign (resid   24 and name HG2*) (resid   24 and name   HB) 2.30 0.50 0.50 ! 0.0000  336:2  Intra  2.42, 2.64 A
assign (resid    1 and name HG2*) (resid    1 and name   HA) 2.65 0.85 0.85 ! 0.0000  337:2  Intra  2.38, 3.27 A
assign (resid   11 and name   HB) (resid   11 and name   HA) 2.65 0.85 0.85 ! 0.5646  338:2  Ambig  3.03, 3.04 A
    or (resid   17 and name HG2*) (resid    9 and name  HA1)                ! 0.3790  338:2  -----  3.24, 4.80 A
assign (resid   27 and name HG2*) (resid   27 and name   HA) 2.30 0.50 0.50 ! 0.0000  339:2  Intra  2.52, 3.19 A
assign (resid   27 and name HG1*) (resid   27 and name   HA) 2.30 0.50 0.50 ! 0.0000  340:2  Intra  2.47, 3.12 A
assign (resid   18 and name HG1*) (resid    1 and name   HA) 2.30 0.50 0.50 ! 0.6891  341:2  Ambig  2.08, 3.59 A
    or (resid   23 and name HG2*) (resid   23 and name   HB)                ! 0.2975  341:2  -----  2.40, 2.64 A
assign (resid   11 and name HG2*) (resid   11 and name   HA) 2.30 0.50 0.50 ! 0.8510  342:2  Intra  2.55, 3.17 A
assign (resid   11 and name HD1*) (resid   11 and name   HA) 3.15 1.35 1.35 ! 0.9170  343:2  Intra  4.41, 4.66 A
assign (resid   25 and name   HA) (resid   25 and name  HB2) 2.30 0.50 0.50 ! 0.0000  344:2  Intra  2.46, 2.48 A
assign (resid   25 and name   HA) (resid   25 and name  HB1) 2.65 0.85 0.85 ! 0.7624  345:2  Ambig  3.01, 3.03 A
    or (resid   25 and name   HA) (resid    8 and name  HB1)                ! 0.2376  345:2  -----  3.66, 4.11 A
assign (resid   13 and name   HA) (resid   13 and name  HB2) 2.30 0.50 0.50 ! 0.5104  346:2  Ambig  2.41, 2.53 A
    or (resid   32 and name   HA) (resid   32 and name  HB*)                ! 0.4667  346:2  -----  2.45, 2.75 A
assign (resid   31 and name   HA) (resid   31 and name  HB1) 2.30 0.50 0.50 ! 0.0000  347:2  Intra  2.40, 2.46 A
assign (resid    4 and name   HA) (resid    4 and name  HB*) 2.30 0.50 0.50 ! 0.9967  348:2  Intra  2.44, 2.76 A
assign (resid   31 and name   HA) (resid   31 and name  HB2) 2.65 0.85 0.85 ! 0.9815  349:2  Intra  3.00, 3.02 A
assign (resid    9 and name  HA2) (resid   33 and name  HB2) 3.15 1.35 1.35 ! 0.0000  350:2  Long   3.73, 3.79 A
assign (resid   30 and name  HD1) (resid   29 and name  HB*) 2.30 0.50 0.50 ! 0.0000  351:2  Seq    2.47, 3.37 A
assign (resid   23 and name   HB) (resid   35 and name  HB1) 2.65 0.85 0.85 ! 0.0000  352:2  Long   1.92, 2.25 A
assign (resid    9 and name  HA1) (resid   33 and name  HB2) 2.65 0.85 0.85 ! 0.8501  353:2  Ambig  2.81, 2.82 A
    or (resid   10 and name  HA1) (resid   33 and name  HB2)                ! 0.0000  353:2  -----  0.00, 0.00 A
assign (resid    8 and name  HB2) (resid   25 and name  HB2) 2.65 0.85 0.85 ! 0.0000  354:2  Long   2.80, 2.94 A
assign (resid   30 and name  HD2) (resid   29 and name  HB*) 2.30 0.50 0.50 ! 0.0000  355:2  Seq    2.32, 3.12 A
assign (resid   19 and name  HB1) (resid   35 and name  HB1) 2.65 0.85 0.85 ! 0.0000  356:2  Long   2.17, 2.35 A
assign (resid    2 and name   HA) (resid    2 and name  HG1) 3.15 1.35 1.35 ! 0.0000  368:2  Intra  2.42, 3.00 A
assign (resid   26 and name   HA) (resid   26 and name  HG1) 3.15 1.35 1.35 ! 0.0000  369:2  Intra  2.94, 3.16 A
assign (resid   16 and name   HA) (resid   16 and name  HB1) 2.30 0.50 0.50 ! 0.0000  370:2  Intra  2.26, 2.30 A
assign (resid   24 and name   HA) (resid   19 and name  HB2) 2.65 0.85 0.85 ! 0.9460  371:2  Long   2.97, 3.35 A
assign (resid   26 and name   HA) (resid   26 and name  HG2) 2.30 0.50 0.50 ! 0.5379  372:2  Ambig  2.44, 2.54 A
    or (resid   32 and name   HA) (resid    7 and name  HG1)                ! 0.4591  372:2  -----  2.50, 2.90 A
assign (resid   36 and name   HA) (resid   34 and name  HG*) 3.15 1.35 1.35 ! 0.5641  373:2  Ambig  3.76, 5.41 A
    or (resid   16 and name   HA) (resid   16 and name  HG1)                ! 0.4106  373:2  -----  3.96, 4.00 A
assign (resid   26 and name   HA) (resid   26 and name  HB1) 2.30 0.50 0.50 ! 0.9431  374:2  Intra  2.44, 2.47 A
assign (resid    7 and name   HA) (resid    7 and name  HG1) 2.30 0.50 0.50 ! 0.9601  375:2  Intra  2.49, 2.58 A
assign (resid   30 and name   HA) (resid   30 and name  HB1) 2.30 0.50 0.50 ! 0.9911  376:2  Intra  2.27, 2.30 A
assign (resid   30 and name   HA) (resid   30 and name  HG2) 3.15 1.35 1.35 ! 0.0000  378:2  Intra  4.08, 4.12 A
assign (resid    7 and name   HA) (resid    7 and name  HB2) 2.30 0.50 0.50 ! 0.9786  379:2  Intra  2.37, 2.46 A
assign (resid    5 and name   HA) (resid   34 and name  HG*) 2.65 0.85 0.85 ! 0.9834  380:2  Long   2.12, 3.79 A
assign (resid   30 and name  HD1) (resid   30 and name  HG2) 2.65 0.85 0.85 ! 0.0000  381:2  Intra  2.67, 2.70 A
assign (resid    6 and name  HA1) (resid    2 and name  HG1) 3.15 1.35 1.35 ! 0.0000  382:2  Mid    2.57, 2.95 A
assign (resid   16 and name  HD2) (resid   16 and name  HB1) 3.15 1.35 1.35 ! 0.0000  383:2  Intra  3.83, 3.88 A
assign (resid   30 and name  HD2) (resid   30 and name  HG2) 2.30 0.50 0.50 ! 0.5126  385:2  Ambig  2.28, 2.31 A
    or (resid   16 and name  HD1) (resid   16 and name  HG1)                ! 0.4751  385:2  -----  2.30, 2.32 A
assign (resid   26 and name  HG2) (resid   26 and name  HB1) 2.30 0.50 0.50 ! 0.6356  389:2  Ambig  2.44, 2.52 A
    or (resid   30 and name  HB1) (resid   30 and name  HG2)                ! 0.3583  389:2  -----  2.68, 2.75 A
assign (resid    2 and name  HB2) (resid    2 and name  HG1) 2.65 0.85 0.85 ! 0.0000  390:2  Intra  2.99, 3.01 A
assign (resid    2 and name  HB2) (resid    2 and name  HG2) 2.30 0.50 0.50 ! 0.9886  392:2  Intra  2.40, 2.43 A
assign (resid   26 and name  HB2) (resid   26 and name  HG2) 2.65 0.85 0.85 ! 0.9923  393:2  Intra  2.44, 2.96 A
assign (resid    7 and name  HB1) (resid    7 and name  HG1) 2.65 0.85 0.85 ! 0.0000  394:2  Intra  3.00, 3.01 A
assign (resid   11 and name HD1*) (resid   30 and name  HB1) 3.15 1.35 1.35 ! 0.0000  399:2  Long   2.57, 3.57 A
assign (resid   25 and name   HA) (resid   26 and name  HB1) 4.15 2.35 2.35 ! 0.5519  400:2  Ambig  5.65, 5.69 A
    or (resid   25 and name   HA) (resid    2 and name  HB2)                ! 0.3563  400:2  -----  6.07, 7.35 A
assign (resid   16 and name   HA) (resid   16 and name  HG2) 3.15 1.35 1.35 ! 0.6879  401:2  Ambig  3.82, 3.86 A
    or (resid   16 and name   HA) (resid    2 and name  HB2)                ! 0.1929  401:2  -----  4.73, 5.88 A
assign (resid    2 and name   HA) (resid    2 and name  HB2) 2.65 0.85 0.85 ! 0.8299  402:2  Intra  2.47, 2.58 A
assign (resid   26 and name   HA) (resid   26 and name  HB2) 2.65 0.85 0.85 ! 0.9011  404:2  Intra  3.00, 3.01 A
assign (resid   16 and name   HA) (resid   16 and name  HB2) 2.65 0.85 0.85 ! 0.9775  405:2  Intra  2.74, 2.76 A
assign (resid    2 and name   HA) (resid    2 and name  HB1) 2.65 0.85 0.85 ! 0.6614  406:2  Ambig  2.52, 2.96 A
    or (resid   28 and name   HA) (resid   28 and name  HB2)                ! 0.2201  406:2  -----  3.02, 3.04 A
assign (resid    2 and name   HA) (resid    2 and name  HB1) 2.65 0.85 0.85 ! 0.0000  407:2  Intra  2.52, 2.96 A
assign (resid   28 and name   HA) (resid   28 and name  HB1) 2.30 0.50 0.50 ! 0.8484  408:2  Intra  2.41, 2.47 A
assign (resid   36 and name   HA) (resid   36 and name  HB*) 2.30 0.50 0.50 ! 0.0000  409:2  Intra  2.46, 2.76 A
assign (resid    3 and name   HA) (resid   20 and name  HB*) 2.65 0.85 0.85 ! 0.0000  410:2  Long   2.86, 3.84 A
assign (resid   36 and name   HA) (resid   36 and name   HG) 2.65 0.85 0.85 ! 0.0000  411:2  Intra  3.04, 3.11 A
assign (resid   18 and name   HA) (resid   18 and name   HB) 2.30 0.50 0.50 ! 0.9910  412:2  Intra  2.42, 2.45 A
assign (resid   30 and name   HA) (resid   30 and name  HG1) 2.65 0.85 0.85 ! 0.9054  414:2  Intra  3.25, 3.45 A
assign (resid    7 and name   HA) (resid    7 and name  HB1) 2.65 0.85 0.85 ! 0.5323  415:2  Ambig  3.00, 3.02 A
    or (resid    7 and name   HA) (resid   34 and name  HB*)                ! 0.4629  415:2  -----  3.07, 3.74 A
assign (resid   10 and name  HA2) (resid   11 and name HG11) 3.15 1.35 1.35 ! 0.0000  417:2  Seq    3.83, 3.94 A
assign (resid    4 and name   HA) (resid    5 and name  HB*) 3.15 1.35 1.35 ! 0.4169  418:2  Ambig  4.63, 5.16 A
    or (resid    4 and name   HA) (resid   36 and name   HG)                ! 0.2262  418:2  -----  5.13, 5.61 A
    or (resid    4 and name   HA) (resid   20 and name  HB*)                ! 0.2226  418:2  -----  5.15, 7.01 A
assign (resid   20 and name   HA) (resid   20 and name  HB*) 2.30 0.50 0.50 ! 0.7261  421:2  Ambig  2.42, 2.64 A
    or (resid    1 and name   HB) (resid   20 and name  HB*)                ! 0.2739  421:2  -----  2.85, 4.99 A
assign (resid    1 and name   HA) (resid   16 and name  HG2) 3.15 1.35 1.35 ! 0.7391  422:2  Ambig  3.39, 4.54 A
    or (resid    1 and name   HA) (resid    2 and name  HB2)                ! 0.1884  422:2  -----  4.26, 4.43 A
assign (resid   27 and name   HA) (resid   27 and name   HB) 2.65 0.85 0.85 ! 0.9164  423:2  Intra  3.04, 3.04 A
assign (resid   30 and name  HD1) (resid   30 and name  HG1) 2.30 0.50 0.50 ! 0.9961  424:2  Intra  2.32, 2.34 A
assign (resid   11 and name   HA) (resid   11 and name HG11) 2.65 0.85 0.85 ! 0.0000  425:2  Intra  2.97, 3.03 A
assign (resid    5 and name   HA) (resid    5 and name  HB*) 2.30 0.50 0.50 ! 0.9768  426:2  Intra  2.41, 2.64 A
assign (resid   16 and name  HD1) (resid   16 and name  HG2) 2.65 0.85 0.85 ! 0.9654  427:2  Intra  2.98, 3.00 A
assign (resid   15 and name  HA1) (resid   16 and name  HG2) 3.15 1.35 1.35 ! 0.9293  428:2  Seq    3.90, 4.11 A
assign (resid   16 and name  HD2) (resid   16 and name  HG2) 2.30 0.50 0.50 ! 0.9845  429:2  Intra  2.31, 2.34 A
assign (resid   16 and name  HD2) (resid   16 and name  HB2) 3.65 1.85 1.85 ! 0.0000  430:2  Intra  4.04, 4.07 A
assign (resid    2 and name  HG1) (resid    2 and name  HB2) 2.65 0.85 0.85 ! 0.9428  431:2  Intra  2.99, 3.01 A
assign (resid    2 and name  HG1) (resid    2 and name  HB1) 3.15 1.35 1.35 ! 0.0000  432:2  Intra  2.41, 2.44 A
assign (resid   16 and name  HB1) (resid   16 and name  HG2) 2.65 0.85 0.85 ! 0.8040  433:2  Intra  2.96, 2.99 A
assign (resid    2 and name  HG2) (resid    2 and name  HB2) 2.30 0.50 0.50 ! 0.9537  434:2  Intra  2.40, 2.43 A
assign (resid   30 and name  HB1) (resid   30 and name  HG1) 2.30 0.50 0.50 ! 0.6151  436:2  Ambig  2.26, 2.30 A
    or (resid   26 and name  HG2) (resid   26 and name  HB2)                ! 0.3820  436:2  -----  2.44, 2.96 A
assign (resid    2 and name  HG2) (resid    2 and name  HB1) 2.65 0.85 0.85 ! 0.9987  438:2  Intra  2.30, 2.43 A
assign (resid   27 and name HG2*) (resid   27 and name   HB) 2.30 0.50 0.50 ! 0.9937  440:2  Intra  2.42, 2.64 A
assign (resid   27 and name HG1*) (resid   27 and name   HB) 2.30 0.50 0.50 ! 0.9681  441:2  Intra  2.41, 2.63 A
assign (resid   36 and name HD1*) (resid   36 and name  HB*) 2.30 0.50 0.50 ! 0.5176  442:2  Ambig  2.39, 3.07 A
    or (resid   36 and name HD2*) (resid   36 and name  HB*)                ! 0.4726  442:2  -----  2.43, 3.48 A
assign (resid   36 and name HD2*) (resid   36 and name   HG) 2.30 0.50 0.50 ! 0.5047  444:2  Ambig  2.41, 2.63 A
    or (resid   36 and name HD1*) (resid   36 and name   HG)                ! 0.4953  444:2  -----  2.42, 2.63 A
assign (resid   11 and name HD1*) (resid   11 and name HG11) 2.30 0.50 0.50 ! 0.0000  445:2  Intra  2.40, 2.63 A
assign (resid   31 and name   HA) (resid   11 and name   HB) 2.65 0.85 0.85 ! 0.0000  446:2  Long   2.67, 3.21 A
assign (resid   17 and name   HB) (resid   17 and name HG2*) 2.30 0.50 0.50 ! 0.9924  447:2  Intra  2.43, 2.65 A
assign (resid   24 and name   HA) (resid   24 and name HG2*) 2.30 0.50 0.50 ! 0.0000  448:2  Intra  2.37, 3.01 A
assign (resid   28 and name   HA) (resid   28 and name HD1*) 3.15 1.35 1.35 ! 0.0000  449:2  Intra  4.34, 4.70 A
assign (resid   36 and name   HA) (resid   23 and name HG2*) 2.65 0.85 0.85 ! 0.6861  450:2  Ambig  2.99, 4.43 A
    or (resid   16 and name   HA) (resid   18 and name HG1*)                ! 0.3097  450:2  -----  3.41, 4.77 A
assign (resid   26 and name   HA) (resid   27 and name HG2*) 2.65 0.85 0.85 ! 0.8715  451:2  Seq    3.48, 4.63 A
assign (resid   28 and name   HA) (resid   28 and name HD2*) 2.30 0.50 0.50 ! 0.9971  452:2  Intra  2.14, 2.98 A
assign (resid   36 and name   HA) (resid   36 and name HD2*) 2.30 0.50 0.50 ! 0.9894  453:2  Intra  2.07, 2.96 A
assign (resid   31 and name   HA) (resid   11 and name   HB) 3.15 1.35 1.35 ! 0.0000  454:2  Long   2.67, 3.21 A
assign (resid    9 and name  HA2) (resid   17 and name HG2*) 3.15 1.35 1.35 ! 0.0000  455:2  Long   1.94, 3.53 A
assign (resid   20 and name   HA) (resid    1 and name HG2*) 2.30 0.50 0.50 ! 0.6656  457:2  Ambig  2.17, 3.39 A
    or (resid    1 and name   HB) (resid    1 and name HG2*)                ! 0.3344  457:2  -----  2.44, 2.65 A
assign (resid   30 and name   HA) (resid   30 and name  HB2) 2.65 0.85 0.85 ! 0.0000  461:2  Intra  2.83, 2.87 A
assign (resid    7 and name   HA) (resid    7 and name  HG2) 2.65 0.85 0.85 ! 0.0000  464:2  Intra  3.00, 3.13 A
assign (resid   18 and name   HA) (resid   18 and name HG2*) 2.30 0.50 0.50 ! 0.9151  465:2  Intra  2.51, 3.13 A
assign (resid    4 and name   HA) (resid   23 and name HG2*) 2.65 0.85 0.85 ! 0.9327  466:2  Long   2.33, 3.82 A
assign (resid   22 and name  HA1) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  467:2  Seq    3.61, 4.77 A
assign (resid   12 and name  HA1) (resid   11 and name HG2*) 3.15 1.35 1.35 ! 0.0000  468:2  Seq    3.59, 4.74 A
assign (resid   30 and name   HA) (resid   27 and name HG1*) 3.15 1.35 1.35 ! 0.0000  469:2  Mid    2.26, 2.82 A
assign (resid    9 and name  HA1) (resid   17 and name HG2*) 3.65 1.85 1.85 ! 0.9174  470:2  Long   3.24, 4.80 A
assign (resid   11 and name   HA) (resid   11 and name   HB) 2.65 0.85 0.85 ! 0.9798  471:2  Intra  3.03, 3.04 A
assign (resid    1 and name   HA) (resid    1 and name HG2*) 2.65 0.85 0.85 ! 0.0000  472:2  Intra  2.38, 3.27 A
assign (resid   30 and name  HD1) (resid   30 and name  HB2) 3.15 1.35 1.35 ! 0.0000  473:2  Intra  3.88, 3.98 A
assign (resid   24 and name   HB) (resid   24 and name HG2*) 2.30 0.50 0.50 ! 0.0000  474:2  Intra  2.42, 2.64 A
assign (resid    1 and name   HA) (resid   18 and name HG1*) 2.30 0.50 0.50 ! 0.6891  475:2  Ambig  2.08, 3.59 A
    or (resid   23 and name   HB) (resid   23 and name HG2*)                ! 0.2975  475:2  -----  2.40, 2.64 A
assign (resid   11 and name   HA) (resid   11 and name HG12) 2.30 0.50 0.50 ! 0.0000  476:2  Intra  2.52, 2.57 A
assign (resid   11 and name   HA) (resid   11 and name HG2*) 2.30 0.50 0.50 ! 0.8263  477:2  Intra  2.55, 3.17 A
assign (resid   27 and name   HA) (resid   27 and name HG2*) 2.30 0.50 0.50 ! 0.0000  478:2  Intra  2.52, 3.19 A
assign (resid   27 and name   HA) (resid   27 and name HG1*) 2.30 0.50 0.50 ! 0.0000  479:2  Intra  2.47, 3.12 A
assign (resid   30 and name  HG2) (resid   30 and name  HB2) 2.30 0.50 0.50 ! 0.0000  481:2  Intra  2.29, 2.31 A
assign (resid    7 and name  HB2) (resid    7 and name  HG2) 2.65 0.85 0.85 ! 0.0000  483:2  Intra  3.00, 3.01 A
assign (resid   18 and name   HB) (resid   18 and name HG1*) 2.30 0.50 0.50 ! 0.5133  484:2  Ambig  2.37, 2.62 A
    or (resid   18 and name   HB) (resid   18 and name HG2*)                ! 0.4741  484:2  -----  2.41, 2.64 A
assign (resid   26 and name  HB1) (resid   28 and name HD2*) 2.65 0.85 0.85 ! 0.5882  485:2  Ambig  2.63, 3.82 A
    or (resid   26 and name  HB1) (resid   36 and name HD1*)                ! 0.4078  485:2  -----  2.80, 4.54 A
assign (resid   34 and name  HG*) (resid   36 and name HD2*) 2.65 0.85 0.85 ! 0.6567  486:2  Ambig  2.38, 4.21 A
    or (resid   34 and name  HG*) (resid   36 and name HD1*)                ! 0.2303  486:2  -----  2.84, 4.27 A
assign (resid   28 and name  HB1) (resid   28 and name HD1*) 2.30 0.50 0.50 ! 0.0000  487:2  Intra  2.39, 3.03 A
assign (resid   27 and name   HB) (resid   27 and name HG2*) 2.30 0.50 0.50 ! 0.9959  488:2  Intra  2.42, 2.64 A
assign (resid   28 and name  HB1) (resid   28 and name HD2*) 2.30 0.50 0.50 ! 0.9908  489:2  Intra  2.55, 3.17 A
assign (resid   27 and name   HB) (resid   27 and name HG1*) 2.30 0.50 0.50 ! 0.9988  490:2  Intra  2.41, 2.63 A
assign (resid   36 and name  HB*) (resid   36 and name HD1*) 2.30 0.50 0.50 ! 0.5176  492:2  Ambig  2.39, 3.07 A
    or (resid   36 and name  HB*) (resid   36 and name HD2*)                ! 0.4726  492:2  -----  2.43, 3.48 A
assign (resid   11 and name HD1*) (resid   11 and name   HB) 2.30 0.50 0.50 ! 0.0000  494:2  Intra  2.53, 3.16 A
assign (resid   31 and name   HA) (resid   11 and name HD1*) 3.65 1.85 1.85 ! 0.0000  495:2  Long   4.32, 5.53 A
assign (resid   30 and name   HA) (resid   11 and name HD1*) 3.65 1.85 1.85 ! 0.0000  496:2  Long   4.10, 4.87 A
assign (resid   11 and name   HA) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.0000  497:2  Intra  4.41, 4.66 A
assign (resid   30 and name  HB1) (resid   11 and name HD1*) 2.65 0.85 0.85 ! 0.0000  498:2  Long   2.57, 3.57 A
assign (resid   11 and name HG11) (resid   11 and name HD1*) 2.30 0.50 0.50 ! 0.0000  499:2  Intra  2.40, 2.63 A
assign (resid    8 and name   HA) (resid    8 and name  HB1) 2.30 0.50 0.50 ! 0.9880  500:2  Intra  2.36, 2.39 A
assign (resid   29 and name   HN) (resid   28 and name  HB2) 2.65 0.85 0.85 ! 0.6537  501:2  Ambig  1.84, 1.88 A
    or (resid   28 and name   HN) (resid   28 and name  HB2)                ! 0.1168  501:2  -----  2.45, 2.55 A
    or (resid    2 and name   HN) (resid   16 and name  HB2)                ! 0.1141  501:2  -----  2.46, 3.54 A
assign (resid   29 and name   HN) (resid   28 and name  HB1) 2.65 0.85 0.85 ! 0.8040  502:2  Seq    2.84, 3.02 A
assign (resid    7 and name  HG1) (resid   33 and name   HN) 3.15 1.35 1.35 ! 0.9994  503:2  Long   2.05, 2.23 A
assign (resid   11 and name   HB) (resid   31 and name  HE*) 3.65 1.85 1.85 ! 0.0000  504:2  Long   2.68, 4.24 A
assign (resid   28 and name HD2*) (resid   32 and name  HD*) 3.65 1.85 1.85 ! 0.0000  505:2  Mid    5.56, 7.84 A
assign (resid   23 and name HG2*) (resid    4 and name  HD2) 3.15 1.35 1.35 ! 0.0000  506:2  Long   2.17, 3.29 A
assign (resid   35 and name  HB1) (resid    4 and name   HA) 3.15 1.35 1.35 ! 0.9967  507:2  Long   2.91, 3.29 A
assign (resid   35 and name  HB1) (resid   25 and name   HA) 3.15 1.35 1.35 ! 0.5425  508:2  Ambig  3.90, 4.22 A
    or (resid   35 and name  HB1) (resid   36 and name   HA)                ! 0.2334  508:2  -----  4.49, 4.63 A
    or (resid   35 and name  HB1) (resid   24 and name   HA)                ! 0.2241  508:2  -----  4.52, 4.96 A
assign (resid   33 and name  HB2) (resid    9 and name  HA2) 3.15 1.35 1.35 ! 0.6655  509:2  Ambig  3.73, 3.79 A
    or (resid   33 and name  HB2) (resid    7 and name   HA)                ! 0.2609  509:2  -----  4.36, 4.55 A
assign (resid   27 and name HG1*) (resid   33 and name   HA) 3.65 1.85 1.85 ! 0.0000  511:2  Long   4.33, 5.19 A
assign (resid   27 and name HG1*) (resid   28 and name   HA) 3.65 1.85 1.85 ! 0.0000  512:2  Seq    4.24, 5.39 A
assign (resid   27 and name HG1*) (resid   30 and name   HA) 3.65 1.85 1.85 ! 0.0000  513:2  Mid    2.26, 2.82 A
assign (resid   11 and name HD1*) (resid   30 and name   HA) 3.65 1.85 1.85 ! 0.0000  514:2  Long   4.10, 4.87 A
assign (resid   23 and name HG2*) (resid   36 and name   HA) 3.15 1.35 1.35 ! 0.6702  515:2  Ambig  2.99, 4.43 A
    or (resid   18 and name HG1*) (resid   16 and name   HA)                ! 0.3025  515:2  -----  3.41, 4.77 A
assign (resid   23 and name HG2*) (resid    4 and name   HA) 3.15 1.35 1.35 ! 0.9327  516:2  Long   2.33, 3.82 A
assign (resid   27 and name HG2*) (resid   26 and name   HA) 3.15 1.35 1.35 ! 0.0000  518:2  Seq    3.48, 4.63 A
assign (resid   28 and name HD1*) (resid   28 and name   HA) 3.15 1.35 1.35 ! 0.5569  519:2  Ambig  4.34, 4.70 A
    or (resid   18 and name HG1*) (resid   17 and name   HA)                ! 0.3107  519:2  -----  4.78, 6.04 A
assign (resid   27 and name HG2*) (resid   33 and name   HA) 3.65 1.85 1.85 ! 0.0000  520:2  Long   4.55, 5.46 A
assign (resid   36 and name HD2*) (resid    5 and name   HA) 3.15 1.35 1.35 ! 0.8048  521:2  Long   3.32, 4.36 A
assign (resid   11 and name HG12) (resid   11 and name   HA) 2.30 0.50 0.50 ! 0.9928  522:2  Intra  2.52, 2.57 A
assign (resid   24 and name HG2*) (resid   23 and name   HA) 3.65 1.85 1.85 ! 0.0000  523:2  Seq    3.64, 4.83 A
assign (resid   27 and name HG2*) (resid   10 and name  HA2) 3.15 1.35 1.35 ! 0.0000  524:2  Long   4.02, 5.38 A
assign (resid   28 and name HD1*) (resid   32 and name  HE*) 3.15 1.35 1.35 ! 0.0000  525:2  Mid    2.24, 5.39 A
assign (resid    1 and name   HB) (resid    1 and name   HA) 2.65 0.85 0.85 ! 0.9753  526:2  Intra  2.51, 2.84 A
assign (resid   26 and name  HG1) (resid   26 and name  HB1) 2.65 0.85 0.85 ! 0.0000  530:2  Intra  2.43, 2.95 A
assign (resid    2 and name  HB1) (resid    2 and name  HG1) 3.15 1.35 1.35 ! 0.0000  531:2  Intra  2.41, 2.44 A
assign (resid    2 and name  HB1) (resid    2 and name  HG2) 2.30 0.50 0.50 ! 0.9847  532:2  Intra  2.30, 2.43 A
assign (resid    7 and name  HB2) (resid    7 and name  HG1) 2.30 0.50 0.50 ! 0.6654  533:2  Ambig  2.39, 2.45 A
    or (resid   30 and name  HG2) (resid   30 and name  HB1)                ! 0.3346  533:2  -----  2.68, 2.75 A
assign (resid   30 and name  HB2) (resid   30 and name  HG2) 2.65 0.85 0.85 ! 0.0000  536:2  Intra  2.29, 2.31 A
assign (resid   16 and name  HG1) (resid   16 and name  HB1) 2.30 0.50 0.50 ! 0.9909  537:2  Intra  2.31, 2.32 A
assign (resid   34 and name  HG*) (resid   36 and name   HG) 2.65 0.85 0.85 ! 0.0000  539:2  Mid    1.93, 2.86 A
assign (resid    7 and name  HB1) (resid    7 and name  HG2) 2.65 0.85 0.85 ! 0.9961  540:2  Intra  2.36, 2.44 A
assign (resid   34 and name  HG*) (resid   34 and name  HB*) 2.30 0.50 0.50 ! 0.0000  541:2  Intra  2.28, 2.71 A
assign (resid   18 and name HG1*) (resid   18 and name   HB) 2.30 0.50 0.50 ! 0.5066  542:2  Ambig  2.37, 2.62 A
    or (resid   18 and name HG2*) (resid   18 and name   HB)                ! 0.4678  542:2  -----  2.41, 2.64 A
assign (resid    7 and name  HG2) (resid    7 and name  HB1) 2.30 0.50 0.50 ! 0.9961  543:2  Intra  2.36, 2.44 A
assign (resid   28 and name HD2*) (resid   28 and name   HG) 2.30 0.50 0.50 ! 0.5458  544:2  Ambig  2.43, 2.64 A
    or (resid   28 and name HD2*) (resid   28 and name  HB1)                ! 0.4118  544:2  -----  2.55, 3.17 A
assign (resid   11 and name HG2*) (resid   11 and name   HB) 2.30 0.50 0.50 ! 0.0000  545:2  Intra  2.42, 2.64 A
assign (resid   11 and name HD1*) (resid   11 and name HG2*) 2.30 0.50 0.50 ! 0.0000  546:2  Intra  2.00, 3.64 A
assign (resid   35 and name  HB2) (resid   23 and name   HB) 3.15 1.35 1.35 ! 0.0000  547:2  Long   3.15, 3.53 A
assign (resid   33 and name  HB2) (resid   27 and name   HA) 3.15 1.35 1.35 ! 0.7827  548:2  Ambig  3.32, 3.42 A
    or (resid   35 and name  HB2) (resid    5 and name   HA)                ! 0.1540  548:2  -----  4.35, 4.78 A
assign (resid   35 and name  HB2) (resid    4 and name   HA) 3.15 1.35 1.35 ! 0.9958  549:2  Long   2.06, 2.36 A
assign (resid   26 and name  HG1) (resid   26 and name  HB2) 2.65 0.85 0.85 ! 0.9988  550:2  Intra  2.37, 2.42 A
assign (resid   26 and name  HG1) (resid   26 and name   HN) 3.65 1.85 1.85 ! 0.5973  551:2  Ambig  2.74, 2.97 A
    or (resid   26 and name  HG1) (resid   36 and name   HN)                ! 0.3913  551:2  -----  2.94, 3.30 A
assign (resid   26 and name  HG2) (resid   36 and name   HN) 3.15 1.35 1.35 ! 0.5081  552:2  Ambig  2.65, 4.76 A
    or (resid   26 and name  HG2) (resid   26 and name   HN)                ! 0.4704  552:2  -----  2.68, 3.76 A
assign (resid   34 and name  HG*) (resid   34 and name   HN) 3.65 1.85 1.85 ! 0.9322  553:2  Intra  2.39, 3.03 A
assign (resid    7 and name  HB1) (resid   13 and name  HE*) 3.15 1.35 1.35 ! 0.0000  554:2  Long   3.27, 4.58 A
assign (resid   30 and name  HB2) (resid   31 and name  HD*) 3.15 1.35 1.35 ! 0.0000  555:2  Seq    3.24, 4.53 A
assign (resid   17 and name HG2*) (resid   15 and name   HN) 3.15 1.35 1.35 ! 0.6565  556:2  Ambig  3.88, 5.21 A
    or (resid   17 and name HG2*) (resid    8 and name   HA)                ! 0.3435  556:2  -----  4.32, 5.46 A
assign (resid   30 and name  HG1) (resid   29 and name   HA) 3.15 1.35 1.35 ! 0.9283  557:2  Seq    3.97, 4.03 A
assign (resid   11 and name HD1*) (resid   31 and name   HA) 3.65 1.85 1.85 ! 0.0000  558:2  Long   4.32, 5.53 A
assign (resid   16 and name  HB2) (resid   16 and name  HD2) 3.15 1.35 1.35 ! 0.5739  559:2  Ambig  4.04, 4.07 A
    or (resid   27 and name   HB) (resid   33 and name  HB1)                ! 0.2834  559:2  -----  4.54, 4.73 A
assign (resid   16 and name  HB1) (resid   16 and name  HD2) 3.15 1.35 1.35 ! 0.0000  560:2  Intra  3.83, 3.88 A
assign (resid   30 and name  HG2) (resid   29 and name  HB*) 3.15 1.35 1.35 ! 0.0000  561:2  Seq    4.50, 5.33 A
assign (resid   16 and name  HG2) (resid    1 and name   HA) 3.65 1.85 1.85 ! 0.9107  562:2  Long   3.39, 4.54 A
assign (resid   34 and name  HG*) (resid   36 and name   HA) 3.15 1.35 1.35 ! 0.5787  563:2  Ambig  3.76, 5.41 A
    or (resid   16 and name  HG1) (resid   16 and name   HA)                ! 0.4213  563:2  -----  3.96, 4.00 A
assign (resid   16 and name  HB1) (resid   16 and name  HD1) 3.15 1.35 1.35 ! 0.0000  564:2  Intra  2.82, 2.93 A
assign (resid    2 and name  HB1) (resid   35 and name  HB2) 3.15 1.35 1.35 ! 0.5288  565:2  Ambig  3.40, 4.52 A
    or (resid   28 and name  HB2) (resid   32 and name  HB*)                ! 0.4564  565:2  -----  3.48, 4.60 A
assign (resid   36 and name HD1*) (resid   26 and name  HG1) 3.65 1.85 1.85 ! 0.9743  566:2  Long   2.24, 4.68 A
assign (resid   23 and name HG2*) (resid    4 and name  HB*) 3.15 1.35 1.35 ! 0.0000  567:2  Long   1.98, 3.89 A
assign (resid   36 and name   HG) (resid   36 and name HD2*) 2.30 0.50 0.50 ! 0.4895  568:2  Ambig  2.41, 2.63 A
    or (resid   36 and name   HG) (resid   36 and name HD1*)                ! 0.4805  568:2  -----  2.42, 2.63 A
assign (resid   11 and name   HB) (resid   11 and name HG12) 2.65 0.85 0.85 ! 0.9765  569:2  Intra  3.03, 3.03 A
assign (resid   11 and name   HB) (resid   11 and name HD1*) 2.65 0.85 0.85 ! 0.0000  570:2  Intra  2.53, 3.16 A
assign (resid   11 and name HG12) (resid   11 and name HD1*) 2.30 0.50 0.50 ! 0.0000  571:2  Intra  2.41, 2.62 A
assign (resid   18 and name HG1*) (resid    1 and name HG2*) 3.15 1.35 1.35 ! 0.6863  573:2  Ambig  2.04, 4.83 A
    or (resid   18 and name HG2*) (resid    1 and name HG2*)                ! 0.2492  573:2  -----  2.41, 5.31 A
assign (resid    7 and name  HG2) (resid    7 and name  HB2) 2.65 0.85 0.85 ! 0.0000  574:2  Intra  3.00, 3.01 A
assign (resid   36 and name   HG) (resid   36 and name  HB*) 2.30 0.50 0.50 ! 0.0000  575:2  Intra  2.44, 2.75 A
assign (resid   28 and name   HG) (resid   36 and name   HG) 3.65 1.85 1.85 ! 0.0000  576:2  Long   4.78, 5.02 A
assign (resid   30 and name  HG1) (resid   30 and name  HB2) 3.15 1.35 1.35 ! 0.9963  577:2  Intra  2.94, 2.97 A
assign (resid   26 and name  HG1) (resid   36 and name  HB*) 3.15 1.35 1.35 ! 0.0000  578:2  Long   1.97, 3.65 A
assign (resid    4 and name  HB*) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  579:2  Long   1.98, 3.89 A
assign (resid   33 and name  HB1) (resid   27 and name HG2*) 3.15 1.35 1.35 ! 0.9942  580:2  Long   2.66, 3.74 A
assign (resid   35 and name  HB1) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  581:2  Long   3.26, 4.24 A
assign (resid   29 and name  HB*) (resid   28 and name  HB2) 3.15 1.35 1.35 ! 0.6514  582:2  Ambig  3.85, 4.65 A
    or (resid   29 and name  HB*) (resid   30 and name  HG1)                ! 0.2065  582:2  -----  4.66, 5.39 A
assign (resid   29 and name  HB*) (resid   30 and name  HG2) 3.15 1.35 1.35 ! 0.9597  583:2  Seq    4.50, 5.33 A
assign (resid   29 and name  HB*) (resid   28 and name  HB1) 3.65 1.85 1.85 ! 0.8077  584:2  Seq    4.55, 5.47 A
assign (resid   35 and name  HB1) (resid   19 and name  HB2) 3.15 1.35 1.35 ! 0.9329  585:2  Long   3.23, 3.62 A
assign (resid   19 and name  HB1) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.4678  586:2  Ambig  4.35, 5.08 A
    or (resid   22 and name  HA2) (resid   23 and name HG2*)                ! 0.3009  586:2  -----  4.69, 5.69 A
    or (resid   19 and name  HB1) (resid   18 and name HG2*)                ! 0.1122  586:2  -----  5.52, 6.44 A
assign (resid   12 and name  HA2) (resid   11 and name HG2*) 3.15 1.35 1.35 ! 0.0000  587:2  Seq    3.78, 4.73 A
assign (resid   36 and name   HA) (resid    4 and name  HD2) 3.15 1.35 1.35 ! 0.0000  588:2  Long   2.02, 2.23 A
assign (resid   23 and name   HB) (resid   24 and name   HN) 3.15 1.35 1.35 ! 0.0000  589:2  Seq    2.52, 2.76 A
assign (resid   30 and name  HD2) (resid   30 and name  HB2) 2.65 0.85 0.85 ! 0.0000  590:2  Intra  2.87, 3.07 A
assign (resid    6 and name  HA2) (resid    2 and name  HG1) 3.15 1.35 1.35 ! 0.9174  591:2  Mid    4.25, 4.54 A
assign (resid   23 and name   HB) (resid   35 and name  HB2) 3.15 1.35 1.35 ! 0.0000  592:2  Long   3.15, 3.53 A
assign (resid   29 and name   HA) (resid   27 and name HG1*) 3.15 1.35 1.35 ! 0.0000  593:2  Mid    3.92, 5.17 A
assign (resid   29 and name   HA) (resid   29 and name  HB*) 2.30 0.50 0.50 ! 0.0000  594:2  Intra  2.42, 2.74 A
assign (resid   29 and name   HA) (resid   30 and name  HD1) 2.30 0.50 0.50 ! 0.9483  595:2  Seq    2.03, 2.11 A
assign (resid   29 and name   HA) (resid   29 and name   HN) 2.65 0.85 0.85 ! 0.7751  596:2  Ambig  2.90, 2.91 A
    or (resid   29 and name   HA) (resid   31 and name   HN)                ! 0.1319  596:2  -----  3.90, 4.15 A
assign (resid   33 and name   HN) (resid   33 and name   HA) 3.15 1.35 1.35 ! 0.9878  597:2  Intra  2.93, 2.93 A
assign (resid   13 and name  HE*) (resid   16 and name  HG1) 3.65 1.85 1.85 ! 0.5224  598:2  Ambig  4.83, 6.24 A
    or (resid   13 and name  HE*) (resid    7 and name  HB2)                ! 0.4776  598:2  -----  4.90, 6.11 A
assign (resid   13 and name  HD*) (resid    7 and name  HG2) 3.65 1.85 1.85 ! 0.0000  599:2  Long   2.87, 3.88 A
assign (resid   16 and name  HG2) (resid   15 and name  HA2) 3.65 1.85 1.85 ! 0.0000  600:2  Seq    4.66, 4.91 A
assign (resid   11 and name   HB) (resid   11 and name HG2*) 2.30 0.50 0.50 ! 0.0000  601:2  Intra  2.42, 2.64 A
assign (resid   11 and name HG2*) (resid   11 and name HD1*) 2.30 0.50 0.50 ! 0.0000  602:2  Intra  2.00, 3.64 A
assign (resid  101 and name   H1) (resid    3 and name  HB1) 2.30 0.50 0.50 ! 0.5814  603:2  Ambig  2.33, 2.69 A
    or (resid  101 and name   H1) (resid  101 and name   H2)                ! 0.3801  603:2  -----  2.50, 2.70 A
assign (resid   23 and name   HA) (resid   23 and name   HB) 2.30 0.50 0.50 ! 0.0000  604:2  Intra  2.46, 2.50 A
assign (resid   29 and name   HA) (resid   30 and name  HD2) 2.65 0.85 0.85 ! 0.6515  605:2  Ambig  3.21, 3.32 A
    or (resid  101 and name   H1) (resid  101 and name   H5)                ! 0.3485  605:2  -----  3.56, 3.65 A
    or (resid  101 and name   H1) (resid  101 and name  H61)                ! 0.0000  605:2  -----  0.00, 0.00 A
    or (resid  101 and name   H1) (resid  101 and name  H62)                ! 0.0000  605:2  -----  0.00, 0.00 A
assign (resid  101 and name   H1) (resid    3 and name  HB2) 2.65 0.85 0.85 ! 0.9968  606:2  Long   2.25, 2.80 A
assign (resid   23 and name   HA) (resid   23 and name HG2*) 2.30 0.50 0.50 ! 0.0000  607:2  Intra  2.41, 3.06 A
assign (resid   30 and name  HB2) (resid   30 and name  HD2) 3.15 1.35 1.35 ! 0.0000  608:2  Intra  2.87, 3.07 A
assign (resid   31 and name   HN) (resid   31 and name  HB1) 3.15 1.35 1.35 ! 0.9566  609:2  Intra  3.65, 3.72 A
assign (resid   28 and name   HN) (resid   33 and name  HB1) 3.15 1.35 1.35 ! 0.5435  610:2  Ambig  3.31, 3.58 A
    or (resid   27 and name   HN) (resid   33 and name  HB1)                ! 0.3639  610:2  -----  3.54, 3.68 A
assign (resid   31 and name   HN) (resid   30 and name  HD2) 3.65 1.85 1.85 ! 0.9984  611:2  Seq    2.19, 2.43 A
assign (resid   31 and name   HN) (resid   31 and name   HA) 3.65 1.85 1.85 ! 0.9460  612:2  Intra  2.90, 2.92 A
assign (resid   35 and name   HN) (resid    7 and name   HA) 3.65 1.85 1.85 ! 0.0000  613:2  Long   3.89, 4.32 A
assign (resid   35 and name   HN) (resid    5 and name   HA) 3.65 1.85 1.85 ! 0.8668  614:2  Long   3.42, 3.94 A
assign (resid   12 and name   HN) (resid   12 and name  HA1) 3.65 1.85 1.85 ! 0.9225  615:2  Intra  2.91, 2.93 A
assign (resid   12 and name   HN) (resid   11 and name   HA) 3.65 1.85 1.85 ! 0.9929  616:2  Seq    2.09, 2.12 A
assign (resid   24 and name   HN) (resid   24 and name   HA) 3.15 1.35 1.35 ! 0.8440  617:2  Intra  2.91, 2.93 A
assign (resid   31 and name   HN) (resid   31 and name  HD*) 3.15 1.35 1.35 ! 0.6833  618:2  Ambig  2.17, 3.75 A
    or (resid   10 and name   HN) (resid    7 and name HE21)                ! 0.3142  618:2  -----  2.47, 2.99 A
assign (resid   31 and name   HN) (resid   32 and name   HN) 2.30 0.50 0.50 ! 0.9711  619:2  Seq    1.91, 2.06 A
assign (resid   13 and name   HN) (resid    7 and name HE22) 3.65 1.85 1.85 ! 0.4271  620:2  Ambig  4.39, 5.13 A
    or (resid   32 and name   HN) (resid   32 and name  HD*)                ! 0.2883  620:2  -----  4.68, 4.89 A
    or (resid   32 and name   HN) (resid    7 and name HE22)                ! 0.1477  620:2  -----  5.24, 5.73 A
assign (resid   13 and name   HN) (resid   11 and name   HA) 3.65 1.85 1.85 ! 0.6445  621:2  Ambig  3.09, 3.24 A
    or (resid   13 and name   HN) (resid   10 and name  HA1)                ! 0.1375  621:2  -----  4.00, 4.23 A
    or (resid   32 and name   HN) (resid   10 and name  HA1)                ! 0.1049  621:2  -----  4.19, 4.32 A
assign (resid    8 and name   HN) (resid    8 and name  HB2) 3.65 1.85 1.85 ! 0.5534  622:2  Ambig  3.62, 3.68 A
    or (resid   32 and name   HN) (resid   31 and name  HB1)                ! 0.4077  622:2  -----  3.81, 3.96 A
assign (resid   32 and name   HN) (resid   29 and name  HB*) 3.65 1.85 1.85 ! 0.9988  623:2  Mid    1.78, 2.56 A
assign (resid   32 and name  HE*) (resid    7 and name  HG2) 3.65 1.85 1.85 ! 0.0000  624:2  Long   4.73, 6.52 A
assign (resid    7 and name HE22) (resid    7 and name  HG2) 3.65 1.85 1.85 ! 0.7861  625:2  Ambig  3.45, 3.65 A
    or (resid   32 and name  HD*) (resid    7 and name  HG2)                ! 0.2139  625:2  -----  4.29, 6.18 A
assign (resid   31 and name  HD*) (resid   30 and name  HG2) 3.65 1.85 1.85 ! 0.0000  626:2  Seq    3.48, 5.50 A
assign (resid   31 and name  HD*) (resid   30 and name  HB1) 3.65 1.85 1.85 ! 0.0000  627:2  Seq    4.84, 6.09 A
assign (resid   31 and name  HE*) (resid   30 and name  HG2) 3.65 1.85 1.85 ! 0.5286  628:2  Ambig  3.37, 5.32 A
    or (resid   34 and name HE22) (resid   34 and name  HG*)                ! 0.4645  628:2  -----  3.45, 3.82 A
assign (resid   31 and name  HE*) (resid   30 and name  HB1) 3.65 1.85 1.85 ! 0.0000  629:2  Seq    5.05, 6.24 A
assign (resid   33 and name   HN) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.9584  630:2  Long   2.05, 2.23 A
assign (resid    9 and name   HN) (resid    7 and name  HG2) 3.65 1.85 1.85 ! 0.0000  631:2  Mid    2.83, 3.19 A
assign (resid   33 and name   HN) (resid    7 and name  HG2) 3.65 1.85 1.85 ! 0.0000  632:2  Long   3.35, 3.64 A
assign (resid   31 and name  HE*) (resid   11 and name HG11) 3.65 1.85 1.85 ! 0.7702  635:2  Ambig  5.03, 6.02 A
    or (resid   34 and name HE22) (resid   36 and name  HB*)                ! 0.2298  635:2  -----  6.15, 7.29 A
assign (resid   31 and name  HD*) (resid   11 and name HG11) 3.65 1.85 1.85 ! 0.0000  636:2  Long   4.64, 5.60 A
assign (resid   13 and name  HD*) (resid    7 and name  HG1) 3.65 1.85 1.85 ! 0.8054  637:2  Long   4.55, 5.29 A
assign (resid   13 and name  HE*) (resid    2 and name  HG2) 3.65 1.85 1.85 ! 0.8086  638:2  Long   4.07, 5.43 A
assign (resid   13 and name  HD*) (resid    7 and name  HB1) 3.65 1.85 1.85 ! 0.0000  639:2  Long   3.61, 5.12 A
assign (resid   31 and name  HE*) (resid   29 and name  HB*) 4.15 2.35 2.35 ! 0.0000  640:2  Mid    5.23, 7.57 A
assign (resid   32 and name  HD*) (resid   29 and name  HB*) 3.65 1.85 1.85 ! 0.0000  641:2  Mid    3.96, 5.86 A
assign (resid   13 and name  HE*) (resid   13 and name  HB2) 3.65 1.85 1.85 ! 0.0000  643:2  Intra  4.73, 5.08 A
assign (resid   13 and name  HE*) (resid    9 and name  HA1) 3.65 1.85 1.85 ! 0.8340  644:2  Mid    5.38, 7.10 A
assign (resid   33 and name   HN) (resid   33 and name  HB1) 3.15 1.35 1.35 ! 0.0000  645:2  Intra  3.75, 3.78 A
assign (resid   13 and name  HD*) (resid   15 and name  HA1) 3.65 1.85 1.85 ! 0.8985  646:2  Mid    4.12, 4.74 A
assign (resid   31 and name  HD*) (resid   10 and name  HA1) 3.65 1.85 1.85 ! 0.6096  647:2  Ambig  4.44, 5.91 A
    or (resid   31 and name  HD*) (resid   11 and name   HA)                ! 0.3904  647:2  -----  4.78, 6.41 A
assign (resid   31 and name  HD*) (resid   30 and name  HD1) 3.65 1.85 1.85 ! 0.0000  648:2  Seq    4.27, 6.28 A
assign (resid   31 and name  HE*) (resid   30 and name  HD2) 3.65 1.85 1.85 ! 0.9063  649:2  Seq    3.59, 5.45 A
assign (resid   33 and name   HN) (resid   10 and name  HA1) 3.65 1.85 1.85 ! 0.9596  650:2  Long   3.00, 3.43 A
assign (resid   13 and name  HE*) (resid   15 and name  HA2) 3.65 1.85 1.85 ! 0.0000  651:2  Mid    4.43, 5.13 A
assign (resid   33 and name   HN) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.6192  652:2  Ambig  3.26, 3.62 A
    or (resid   33 and name   HN) (resid   10 and name  HA2)                ! 0.3808  652:2  -----  3.54, 3.77 A
assign (resid   31 and name  HE*) (resid   31 and name   HA) 3.65 1.85 1.85 ! 0.7888  653:2  Ambig  4.69, 5.30 A
    or (resid   34 and name HE22) (resid    4 and name   HA)                ! 0.2112  653:2  -----  5.84, 7.03 A
assign (resid   31 and name  HD*) (resid   30 and name   HA) 3.65 1.85 1.85 ! 0.0000  654:2  Seq    4.98, 5.98 A
assign (resid   31 and name  HD*) (resid   12 and name  HA1) 3.65 1.85 1.85 ! 0.9068  655:2  Long   3.53, 6.12 A
assign (resid    9 and name   HN) (resid    9 and name  HA2) 3.65 1.85 1.85 ! 0.9966  656:2  Intra  2.90, 2.93 A
assign (resid   32 and name  HE*) (resid   32 and name   HA) 3.65 1.85 1.85 ! 0.0000  657:2  Intra  4.63, 5.26 A
assign (resid   32 and name  HE*) (resid   34 and name   HA) 3.65 1.85 1.85 ! 0.0000  658:2  Mid    4.46, 5.36 A
assign (resid   13 and name  HD*) (resid   15 and name   HN) 3.65 1.85 1.85 ! 0.7004  659:2  Ambig  3.20, 3.76 A
    or (resid   13 and name  HD*) (resid    8 and name   HA)                ! 0.2996  659:2  -----  3.68, 5.05 A
assign (resid   32 and name  HD*) (resid   33 and name   HA) 3.65 1.85 1.85 ! 0.9639  660:2  Seq    3.74, 5.07 A
assign (resid   31 and name  HE*) (resid   30 and name  HD1) 4.15 2.35 2.35 ! 0.0000  661:2  Seq    5.15, 7.04 A
assign (resid   13 and name  HD*) (resid   14 and name   HA) 3.65 1.85 1.85 ! 0.7799  662:2  Ambig  4.53, 5.57 A
    or (resid   13 and name  HD*) (resid   16 and name   HA)                ! 0.2201  662:2  -----  5.59, 7.34 A
assign (resid   31 and name  HD*) (resid   31 and name   HN) 3.15 1.35 1.35 ! 0.0000  663:2  Intra  2.17, 3.75 A
assign (resid   32 and name  HD*) (resid   29 and name   HN) 3.65 1.85 1.85 ! 0.6344  664:2  Ambig  3.35, 5.06 A
    or (resid    7 and name HE22) (resid   10 and name   HN)                ! 0.1791  664:2  -----  4.13, 4.35 A
assign (resid   35 and name   HA) (resid   26 and name  HG2) 3.15 1.35 1.35 ! 0.5942  666:2  Ambig  3.90, 5.79 A
    or (resid   35 and name   HA) (resid   19 and name  HB2)                ! 0.3507  666:2  -----  4.26, 4.57 A
assign (resid   35 and name   HA) (resid   34 and name  HG*) 3.15 1.35 1.35 ! 0.0000  667:2  Seq    4.09, 5.03 A
assign (resid    8 and name   HA) (resid    7 and name  HG2) 3.65 1.85 1.85 ! 0.9231  668:2  Seq    3.95, 4.13 A
assign (resid   10 and name  HA2) (resid   13 and name  HB2) 3.65 1.85 1.85 ! 0.0000  670:2  Mid    4.53, 4.60 A
assign (resid   10 and name  HA2) (resid   13 and name  HB1) 3.65 1.85 1.85 ! 0.7054  671:2  Ambig  4.72, 4.81 A
    or (resid   10 and name  HA2) (resid   31 and name  HB2)                ! 0.2946  671:2  -----  5.46, 5.62 A
assign (resid   10 and name  HA2) (resid   32 and name   HN) 3.65 1.85 1.85 ! 0.6724  672:2  Ambig  4.18, 4.32 A
    or (resid   10 and name  HA2) (resid   13 and name   HN)                ! 0.2519  672:2  -----  4.93, 5.08 A
assign (resid    7 and name   HA) (resid   35 and name   HN) 3.65 1.85 1.85 ! 0.0000  673:2  Long   3.89, 4.32 A
assign (resid    7 and name   HA) (resid    8 and name   HN) 3.15 1.35 1.35 ! 0.9995  674:2  Seq    2.02, 2.09 A
assign (resid   30 and name   HA) (resid   32 and name   HN) 3.65 1.85 1.85 ! 0.0000  675:2  Mid    4.17, 4.39 A
assign (resid   30 and name   HA) (resid   31 and name   HN) 3.65 1.85 1.85 ! 0.8550  676:2  Seq    3.26, 3.38 A
assign (resid   30 and name  HD1) (resid   31 and name   HN) 3.65 1.85 1.85 ! 0.8209  679:2  Seq    3.55, 3.66 A
assign (resid   33 and name  HB1) (resid   28 and name   HN) 3.15 1.35 1.35 ! 0.5354  680:2  Ambig  3.31, 3.58 A
    or (resid   33 and name  HB1) (resid   27 and name   HN)                ! 0.3585  680:2  -----  3.54, 3.68 A
assign (resid   30 and name  HD2) (resid   31 and name  HD*) 3.15 1.35 1.35 ! 0.0000  681:2  Seq    2.50, 4.59 A
assign (resid   33 and name  HB1) (resid   33 and name   HN) 3.65 1.85 1.85 ! 0.0000  682:2  Intra  3.75, 3.78 A
assign (resid    6 and name  HA2) (resid    2 and name  HG2) 3.65 1.85 1.85 ! 0.8824  683:2  Mid    4.17, 4.83 A
assign (resid   30 and name  HD1) (resid   30 and name  HB1) 3.65 1.85 1.85 ! 0.0000  684:2  Intra  3.99, 4.03 A
assign (resid    8 and name  HB2) (resid   17 and name HG2*) 3.65 1.85 1.85 ! 0.0000  685:2  Long   4.51, 5.73 A
assign (resid   33 and name  HB1) (resid   27 and name HG1*) 3.65 1.85 1.85 ! 0.0000  686:2  Long   3.82, 4.82 A
assign (resid   29 and name  HB*) (resid   27 and name HG1*) 3.65 1.85 1.85 ! 0.0000  687:2  Mid    5.62, 6.38 A
assign (resid   25 and name  HB2) (resid   18 and name HG2*) 3.65 1.85 1.85 ! 0.4156  688:2  Ambig  5.26, 6.90 A
    or (resid   29 and name  HB*) (resid   28 and name HD1*)                ! 0.2891  688:2  -----  5.58, 7.31 A
    or (resid   25 and name  HB2) (resid   27 and name HG2*)                ! 0.1741  688:2  -----  6.08, 7.16 A
assign (resid   29 and name  HB*) (resid   30 and name  HB2) 3.65 1.85 1.85 ! 0.0000  689:2  Seq    4.84, 5.60 A
assign (resid    4 and name  HB*) (resid    5 and name  HB*) 3.65 1.85 1.85 ! 0.5143  690:2  Ambig  4.36, 5.61 A
    or (resid    4 and name  HB*) (resid   20 and name  HB*)                ! 0.4857  690:2  -----  4.40, 7.07 A
assign (resid   31 and name  HB1) (resid   11 and name   HB) 3.65 1.85 1.85 ! 0.0000  691:2  Long   4.00, 4.61 A
assign (resid   24 and name   HB) (resid   26 and name  HG2) 3.65 1.85 1.85 ! 0.8156  692:2  Mid    3.57, 3.88 A
assign (resid   24 and name   HB) (resid   26 and name  HG1) 3.65 1.85 1.85 ! 0.9884  693:2  Mid    3.26, 3.79 A
assign (resid   13 and name  HB1) (resid   13 and name  HE*) 3.65 1.85 1.85 ! 0.5356  694:2  Ambig  4.56, 5.03 A
    or (resid    8 and name  HB1) (resid   13 and name  HE*)                ! 0.4644  694:2  -----  4.67, 6.33 A
assign (resid   32 and name  HB*) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.9213  695:2  Intra  4.61, 5.05 A
assign (resid   13 and name  HB2) (resid   13 and name  HE*) 3.65 1.85 1.85 ! 0.0000  697:2  Intra  4.73, 5.08 A
assign (resid   31 and name  HB1) (resid   32 and name   HN) 3.65 1.85 1.85 ! 0.9128  699:2  Seq    3.81, 3.96 A
assign (resid   29 and name  HB*) (resid   32 and name   HN) 3.65 1.85 1.85 ! 0.9988  700:2  Mid    1.78, 2.56 A
assign (resid   31 and name  HB1) (resid   31 and name   HN) 3.65 1.85 1.85 ! 0.9421  701:2  Intra  3.65, 3.72 A
assign (resid   25 and name  HB2) (resid   26 and name   HN) 3.65 1.85 1.85 ! 0.7457  702:2  Ambig  4.31, 4.41 A
    or (resid   25 and name  HB2) (resid   36 and name   HN)                ! 0.1773  702:2  -----  5.48, 5.70 A
assign (resid    7 and name  HB2) (resid   13 and name  HE*) 4.15 2.35 2.35 ! 0.0000  703:2  Long   4.90, 6.11 A
assign (resid    7 and name  HB2) (resid   32 and name  HD*) 3.65 1.85 1.85 ! 0.9264  704:2  Long   2.58, 4.67 A
assign (resid   35 and name  HB2) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.4897  705:2  Ambig  3.38, 4.89 A
    or (resid   33 and name  HB2) (resid   27 and name HG2*)                ! 0.3625  705:2  -----  3.55, 4.74 A
assign (resid    7 and name  HG1) (resid    7 and name  HB1) 2.65 0.85 0.85 ! 0.8482  706:2  Intra  3.00, 3.01 A
assign (resid   30 and name  HG1) (resid   29 and name  HB*) 3.65 1.85 1.85 ! 0.0000  708:2  Seq    4.66, 5.39 A
assign (resid   19 and name  HB2) (resid   35 and name  HB1) 3.15 1.35 1.35 ! 0.0000  709:2  Long   3.23, 3.62 A
assign (resid   28 and name  HB2) (resid   33 and name   HA) 3.65 1.85 1.85 ! 0.5938  710:2  Ambig  3.22, 3.52 A
    or (resid    2 and name  HB1) (resid    8 and name   HA)                ! 0.4062  710:2  -----  3.44, 3.91 A
assign (resid    7 and name  HG2) (resid   13 and name  HE*) 3.65 1.85 1.85 ! 0.0000  711:2  Long   3.70, 4.38 A
assign (resid   30 and name  HB2) (resid   31 and name  HE*) 3.65 1.85 1.85 ! 0.0000  712:2  Seq    3.49, 4.66 A
assign (resid    7 and name  HG2) (resid   13 and name  HD*) 3.65 1.85 1.85 ! 0.7046  713:2  Ambig  2.87, 3.88 A
    or (resid    7 and name  HG2) (resid    7 and name HE22)                ! 0.2322  713:2  -----  3.45, 3.65 A
assign (resid   30 and name  HB2) (resid   30 and name  HD1) 3.15 1.35 1.35 ! 0.0000  714:2  Intra  3.88, 3.98 A
assign (resid   36 and name  HB*) (resid   26 and name  HG1) 3.15 1.35 1.35 ! 0.0000  715:2  Long   1.97, 3.65 A
assign (resid   27 and name HG2*) (resid   33 and name  HB1) 3.65 1.85 1.85 ! 0.0000  716:2  Long   2.66, 3.74 A
assign (resid   27 and name HG1*) (resid   29 and name  HB*) 3.65 1.85 1.85 ! 0.0000  717:2  Mid    5.62, 6.38 A
assign (resid   27 and name HG1*) (resid   33 and name  HB1) 3.65 1.85 1.85 ! 0.0000  718:2  Long   3.82, 4.82 A
assign (resid   36 and name HD2*) (resid   23 and name   HB) 3.65 1.85 1.85 ! 0.8757  720:2  Long   5.25, 6.42 A
assign (resid   36 and name HD2*) (resid   35 and name   HA) 3.65 1.85 1.85 ! 0.7028  721:2  Ambig  4.91, 5.94 A
    or (resid   36 and name HD1*) (resid   35 and name   HA)                ! 0.2972  721:2  -----  5.67, 6.37 A
assign (resid   28 and name HD1*) (resid   33 and name   HA) 3.65 1.85 1.85 ! 0.9615  722:2  Long   3.99, 4.98 A
assign (resid   28 and name HD2*) (resid   33 and name   HA) 3.65 1.85 1.85 ! 0.8953  723:2  Long   4.46, 5.31 A
assign (resid   36 and name HD2*) (resid    4 and name  HD2) 3.65 1.85 1.85 ! 0.9938  725:2  Long   2.47, 4.14 A
assign (resid   27 and name HG1*) (resid   32 and name   HN) 3.65 1.85 1.85 ! 0.0000  726:2  Long   5.01, 5.91 A
assign (resid   10 and name   HN) (resid   33 and name  HB2) 3.15 1.35 1.35 ! 0.7889  727:2  Ambig  2.92, 3.12 A
    or (resid   28 and name   HN) (resid   33 and name  HB2)                ! 0.0649  727:2  -----  4.42, 4.62 A
assign (resid   31 and name   HN) (resid   29 and name  HB*) 3.65 1.85 1.85 ! 0.8566  728:2  Mid    2.40, 2.93 A
assign (resid   11 and name   HN) (resid   31 and name   HA) 3.65 1.85 1.85 ! 0.0000  729:2  Long   1.79, 2.04 A
assign (resid   11 and name   HN) (resid   10 and name  HA1) 3.65 1.85 1.85 ! 0.5112  730:2  Ambig  2.78, 2.90 A
    or (resid   11 and name   HN) (resid   11 and name   HA)                ! 0.4813  730:2  -----  2.81, 2.83 A
assign (resid   11 and name   HN) (resid   11 and name HG11) 3.65 1.85 1.85 ! 0.0000  731:2  Intra  2.09, 2.18 A
assign (resid   11 and name   HN) (resid   11 and name   HB) 3.65 1.85 1.85 ! 0.9925  732:2  Intra  2.43, 2.50 A
assign (resid   21 and name   HN) (resid   20 and name   HA) 3.65 1.85 1.85 ! 0.9829  733:2  Seq    2.10, 2.28 A
assign (resid    1 and name   HA) (resid    1 and name   HB) 2.65 0.85 0.85 ! 0.9643  734:2  Intra  2.51, 2.84 A
assign (resid   23 and name   HB) (resid   36 and name   HA) 2.65 0.85 0.85 ! 0.6771  735:2  Ambig  3.36, 3.68 A
    or (resid    1 and name   HA) (resid   16 and name   HA)                ! 0.1763  735:2  -----  4.20, 5.48 A
assign (resid   23 and name   HB) (resid   35 and name   HA) 3.15 1.35 1.35 ! 0.0000  736:2  Long   3.31, 3.59 A
assign (resid    3 and name  HB2) (resid  101 and name   H1) 2.65 0.85 0.85 ! 0.9956  737:2  Long   2.25, 2.80 A
assign (resid   10 and name  HA2) (resid   32 and name   HA) 3.65 1.85 1.85 ! 0.9547  739:2  Long   3.99, 4.15 A
assign (resid   33 and name   HA) (resid   28 and name HD2*) 3.15 1.35 1.35 ! 0.4964  740:2  Ambig  4.46, 5.31 A
    or (resid   33 and name   HA) (resid   27 and name HG2*)                ! 0.4456  740:2  -----  4.55, 5.46 A
assign (resid   17 and name HG2*) (resid    9 and name  HA2) 3.65 1.85 1.85 ! 0.0000  741:2  Long   1.94, 3.53 A
assign (resid   13 and name  HB1) (resid   10 and name  HA1) 3.15 1.35 1.35 ! 0.4326  742:2  Ambig  3.75, 3.97 A
    or (resid   13 and name  HB1) (resid    9 and name  HA1)                ! 0.1577  742:2  -----  4.44, 4.79 A
    or (resid   13 and name  HB1) (resid   11 and name   HA)                ! 0.1338  742:2  -----  4.56, 4.86 A
    or (resid   25 and name  HB1) (resid    9 and name  HA1)                ! 0.1226  742:2  -----  4.63, 4.86 A
assign (resid   13 and name  HB1) (resid    9 and name  HA2) 3.15 1.35 1.35 ! 0.9067  743:2  Mid    2.81, 3.20 A
assign (resid   33 and name  HB1) (resid    9 and name  HA1) 3.15 1.35 1.35 ! 0.9139  744:2  Ambig  3.51, 3.52 A
    or (resid   33 and name  HB1) (resid   10 and name  HA1)                ! 0.0000  744:2  -----  0.00, 0.00 A
assign (resid   31 and name   HA) (resid   10 and name  HA1) 2.65 0.85 0.85 ! 0.9064  745:2  Long   2.49, 2.78 A
assign (resid   32 and name   HA) (resid   10 and name  HA1) 2.65 0.85 0.85 ! 0.6297  746:2  Ambig  3.08, 3.37 A
    or (resid   17 and name   HB) (resid    9 and name  HA1)                ! 0.3091  746:2  -----  3.47, 4.38 A
assign (resid   32 and name  HD*) (resid    7 and name   HA) 3.65 1.85 1.85 ! 0.8207  747:2  Long   4.18, 5.30 A
assign (resid    4 and name  HD2) (resid   23 and name   HB) 3.65 1.85 1.85 ! 0.0000  748:2  Long   3.12, 3.76 A
assign (resid   32 and name   HA) (resid   10 and name  HA2) 3.15 1.35 1.35 ! 0.5184  749:2  Ambig  3.99, 4.15 A
    or (resid   13 and name   HA) (resid   12 and name  HA1)                ! 0.4570  749:2  -----  4.07, 4.19 A
assign (resid   13 and name  HB2) (resid   10 and name  HA2) 3.65 1.85 1.85 ! 0.5613  750:2  Ambig  4.53, 4.60 A
    or (resid   13 and name  HB2) (resid   12 and name  HA1)                ! 0.4387  750:2  -----  4.72, 4.93 A
assign (resid   20 and name  HB*) (resid  101 and name   H2) 4.15 2.35 2.35 ! 0.5858  752:2  Ambig  3.28, 7.18 A
    or (resid   20 and name  HB*) (resid  101 and name  H62)                ! 0.2335  752:2  -----  3.82, 7.99 A
assign (resid   10 and name  HA2) (resid   11 and name HD1*) 3.65 1.85 1.85 ! 0.0000  753:2  Seq    5.80, 6.37 A
assign (resid    9 and name  HA1) (resid   33 and name  HB1) 3.15 1.35 1.35 ! 0.9139  754:2  Ambig  3.51, 3.52 A
    or (resid   10 and name  HA1) (resid   33 and name  HB1)                ! 0.0000  754:2  -----  0.00, 0.00 A
assign (resid   27 and name   HA) (resid   10 and name  HA2) 3.65 1.85 1.85 ! 0.0000  756:2  Long   4.63, 4.67 A
# Restraints file 2: talos.tbl

!    3 S -134.810  156.667   12.130    8.606    1.169 0.739 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 -134.8   24.3 2
!assign (resid    3 and name N    ) (resid    3 and name CA   )
!       (resid    3 and name C    ) (resid    4 and name N    )    1.0  156.7   20.0 2

!    4 H  -70.370  135.320    7.513    9.913    0.821 0.710 25 15 Strong
assign (resid    3 and name C    ) (resid    4 and name N    )
       (resid    4 and name CA   ) (resid    4 and name C    )    1.0  -70.4   20.0 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name C    ) (resid    5 and name N    )    1.0  135.3   20.0 2

!    7 Q  -71.894  -20.163    9.838   13.114    1.827 0.735 10 14 Generous
!assign (resid    6 and name C    ) (resid    7 and name N    )
!       (resid    7 and name CA   ) (resid    7 and name C    )    1.0  -71.9   30.0 2
!assign (resid    7 and name N    ) (resid    7 and name CA   )
!       (resid    7 and name C    ) (resid    8 and name N    )    1.0  -20.2   39.3 2

!   10 G  -85.189  171.888   13.449   19.235    1.324 0.812 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  -85.2   26.9 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0  171.9   38.5 2

!   11 I  -57.789  128.506    6.735    6.060    0.859 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  -57.8   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  128.5   20.0 2

!   12 G   87.357   -0.856   13.183   15.275    0.626 0.736 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   87.4   26.4 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0   -0.9   30.6 2

!   13 Y  -71.614  133.594   21.014   12.174   -0.861 0.708 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  -71.6   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  133.6   24.3 2

!   14 S -111.384   -6.485   16.288   20.065    1.075 0.704 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 -111.4   32.6 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name C    ) (resid   15 and name N    )    1.0   -6.5   40.1 2

!   18 V  -89.342  132.181   20.484   10.927    0.864 0.714 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  -89.3   41.0 2
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name C    ) (resid   19 and name N    )    1.0  132.2   21.9 2

!   19 c  -77.782  136.148   12.468   16.283    0.632 0.809 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  -77.8   24.9 2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name C    ) (resid   20 and name N    )    1.0  136.1   32.6 2

!   21 S  -57.323  133.536    5.263    7.757    0.218 0.750 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  -57.3   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  133.5   20.0 2

!   22 G   91.421   -0.565    6.859    7.846    0.174 0.740 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   91.4   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   -0.6   20.0 2

!   23 T -126.868  156.221    9.375    8.854    0.306 0.794 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 -126.9   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  156.2   20.0 2

!   24 T -126.947  145.843   13.005   10.672    0.365 0.812 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 -126.9   26.0 2
assign (resid   24 and name N    ) (resid   24 and name CA   )
       (resid   24 and name C    ) (resid   25 and name N    )    1.0  145.8   21.3 2

!   25 c  -74.800  128.592   10.705   16.784    0.606 0.819 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  -74.8   21.4 2
assign (resid   25 and name N    ) (resid   25 and name CA   )
       (resid   25 and name C    ) (resid   26 and name N    )    1.0  128.6   33.6 2

!   26 Q  -92.292  131.105   14.281   14.045    0.529 0.808 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  -92.3   28.6 2
assign (resid   26 and name N    ) (resid   26 and name CA   )
       (resid   26 and name C    ) (resid   27 and name N    )    1.0  131.1   28.1 2

!   27 V  -77.479  129.594   14.838   17.832    0.516 0.801 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  -77.5   29.7 2
assign (resid   27 and name N    ) (resid   27 and name CA   )
       (resid   27 and name C    ) (resid   28 and name N    )    1.0  129.6   35.7 2

!   29 N  -63.097  133.632    8.937   12.189    0.837 0.803 10 13 Generous
assign (resid   28 and name C    ) (resid   29 and name N    )
       (resid   29 and name CA   ) (resid   29 and name C    )    1.0  -63.1   30.0 2
assign (resid   29 and name N    ) (resid   29 and name CA   )
       (resid   29 and name C    ) (resid   30 and name N    )    1.0  133.6   36.6 2

!   30 P  -61.709  -23.221    5.613    8.299    0.694 0.797 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  -61.7   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  -97.027   -3.414    8.825    9.747    0.625 0.813 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  -97.0   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  -72.804  135.471   14.927    6.640    0.781 0.843 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  -72.8   29.9 2
assign (resid   32 and name N    ) (resid   32 and name CA   )
       (resid   32 and name C    ) (resid   33 and name N    )    1.0  135.5   20.0 2

!   33 S -118.016  135.929   14.903   12.851    0.825 0.873 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 -118.0   29.8 2
assign (resid   33 and name N    ) (resid   33 and name CA   )
       (resid   33 and name C    ) (resid   34 and name N    )    1.0  135.9   25.7 2

!   34 Q -133.282  141.010   10.130   12.376    0.918 0.881 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 -133.3   20.3 2
assign (resid   34 and name N    ) (resid   34 and name CA   )
       (resid   34 and name C    ) (resid   35 and name N    )    1.0  141.0   24.8 2

!   35 c  -80.442  130.782   10.812   12.952    1.281 0.877 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  -80.4   21.6 2
assign (resid   35 and name N    ) (resid   35 and name CA   )
       (resid   35 and name C    ) (resid   36 and name N    )    1.0  130.8   25.9 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
!   14 S Chi1 g+  60+-30deg
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name CB   ) (resid   14 and name OG   )    1.0   60.0   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 g+  60+-30deg
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name CB   ) (resid   18 and name CG1  )    1.0   60.0   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
!   28 L Chi1 g- -60+-30deg
assign (resid   28 and name N    ) (resid   28 and name CA   )
       (resid   28 and name CB   ) (resid   28 and name CG   )    1.0  -60.0   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
!   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  -2.775   4.867   8.368
    2    H2   THR   1           H2       THR   1  -3.513   6.349   8.889
    3    H3   THR   1           H3       THR   1  -1.851   6.126   8.999
    4    HA   THR   1           HA       THR   1  -3.260   6.180   6.463
    5    HB   THR   1           HB       THR   1  -1.505   8.316   7.698
    6    HG1  THR   1           HG1      THR   1  -3.192   9.130   8.684
    7   HG21  THR   1          HG21      THR   1  -2.603   9.738   6.022
    8   HG22  THR   1          HG22      THR   1  -3.575   8.367   5.492
    9   HG23  THR   1          HG23      THR   1  -1.827   8.352   5.251
   10    H    GLN   2           H        GLN   2  -1.947   5.202   4.992
   11    HA   GLN   2           HA       GLN   2   0.605   4.345   5.925
   12    HB2  GLN   2           HB2      GLN   2  -0.940   2.892   4.594
   13    HB3  GLN   2           HB3      GLN   2  -0.609   3.905   3.197
   14    HG2  GLN   2           HG2      GLN   2   0.742   1.853   3.201
   15    HG3  GLN   2           HG3      GLN   2   1.727   3.309   3.272
   16   HE21  GLN   2          HE21      GLN   2   0.558   0.562   5.055
   17   HE22  GLN   2          HE22      GLN   2   1.681   0.687   6.346
   18    H    SER   3           H        SER   3   2.520   4.978   5.271
   19    HA   SER   3           HA       SER   3   2.556   7.629   4.066
   20    HB2  SER   3           HB2      SER   3   3.437   7.252   6.340
   21    HB3  SER   3           HB3      SER   3   4.634   6.149   5.661
   22    H    HIS   4           H        HIS   4   4.678   8.060   2.854
   23    HA   HIS   4           HA       HIS   4   4.804   6.471   0.529
   24    HB2  HIS   4           HB2      HIS   4   5.484   8.908   0.768
   25    HB3  HIS   4           HB3      HIS   4   6.950   8.350   1.550
   26    HD1  HIS   4           HD1      HIS   4   8.879   7.707   0.007
   27    HD2  HIS   4           HD2      HIS   4   5.286   8.145  -2.012
   28    HE1  HIS   4           HE1      HIS   4   9.469   7.713  -2.407
   29    HE2  HIS   4           HE2      HIS   4   7.268   7.869  -3.615
   30    H    ALA   5           H        ALA   5   5.992   4.735   0.061
   31    HA   ALA   5           HA       ALA   5   7.469   3.078   0.109
   32    HB1  ALA   5           HB1      ALA   5   9.462   3.013   1.483
   33    HB2  ALA   5           HB2      ALA   5   8.815   4.265   2.544
   34    HB3  ALA   5           HB3      ALA   5   9.238   4.658   0.881
   35    H    GLY   6           H        GLY   6   5.115   3.587   2.245
   36    HA2  GLY   6           HA2      GLY   6   5.607   1.142   3.760
   37    HA3  GLY   6           HA3      GLY   6   4.313   2.303   4.038
   38    H    GLN   7           H        GLN   7   3.863  -0.458   3.926
   39    HA   GLN   7           HA       GLN   7   2.861  -1.086   1.292
   40    HB2  GLN   7           HB2      GLN   7   3.865  -2.919   2.541
   41    HB3  GLN   7           HB3      GLN   7   2.734  -2.679   3.866
   42    HG2  GLN   7           HG2      GLN   7   0.892  -3.387   2.489
   43    HG3  GLN   7           HG3      GLN   7   1.918  -3.510   1.074
   44   HE21  GLN   7          HE21      GLN   7   0.274  -5.511   2.338
   45   HE22  GLN   7          HE22      GLN   7   1.305  -6.822   2.768
   46    H    CYS   8           H        CYS   8   1.140  -0.123   0.661
   47    HA   CYS   8           HA       CYS   8  -0.858   0.860   2.507
   48    HB2  CYS   8           HB2      CYS   8  -1.915   1.705   0.447
   49    HB3  CYS   8           HB3      CYS   8  -0.284   2.308   0.765
   50    H    GLY   9           H        GLY   9  -0.869  -1.659   0.003
   51    HA2  GLY   9           HA2      GLY   9  -3.041  -2.903   1.312
   52    HA3  GLY   9           HA3      GLY   9  -3.643  -1.900   0.004
   53    H    GLY  10           H        GLY  10  -1.551  -4.520   0.806
   54    HA2  GLY  10           HA2      GLY  10  -2.017  -5.591  -1.893
   55    HA3  GLY  10           HA3      GLY  10  -0.622  -6.014  -0.890
   56    H    ILE  11           H        ILE  11  -2.041  -8.110  -1.719
   57    HA   ILE  11           HA       ILE  11  -4.120  -8.851   0.055
   58    HB   ILE  11           HB       ILE  11  -2.169 -10.736  -1.341
   59   HG12  ILE  11          HG12      ILE  11  -4.823  -9.674  -2.360
   60   HG13  ILE  11          HG13      ILE  11  -3.248  -9.157  -2.933
   61   HG21  ILE  11          HG21      ILE  11  -4.001 -12.364  -1.192
   62   HG22  ILE  11          HG22      ILE  11  -4.998 -11.175  -0.358
   63   HG23  ILE  11          HG23      ILE  11  -3.540 -11.794   0.414
   64   HD11  ILE  11          HD11      ILE  11  -4.386 -11.931  -3.176
   65   HD12  ILE  11          HD12      ILE  11  -2.799 -11.411  -3.756
   66   HD13  ILE  11          HD13      ILE  11  -4.261 -10.735  -4.466
   67    H    GLY  12           H        GLY  12  -4.043  -9.718   2.095
   68    HA2  GLY  12           HA2      GLY  12  -2.945 -10.842   3.883
   69    HA3  GLY  12           HA3      GLY  12  -1.402 -10.295   3.232
   70    H    TYR  13           H        TYR  13  -2.897  -7.639   2.791
   71    HA   TYR  13           HA       TYR  13  -2.306  -6.613   5.468
   72    HB2  TYR  13           HB2      TYR  13  -1.081  -5.653   3.514
   73    HB3  TYR  13           HB3      TYR  13  -2.614  -5.096   2.858
   74    HD1  TYR  13           HD1      TYR  13  -0.365  -4.756   5.803
   75    HD2  TYR  13           HD2      TYR  13  -3.409  -2.965   3.450
   76    HE1  TYR  13           HE1      TYR  13  -0.055  -2.631   7.019
   77    HE2  TYR  13           HE2      TYR  13  -3.102  -0.842   4.660
   78    HH   TYR  13           HH       TYR  13  -2.265  -0.013   6.674
   79    H    SER  14           H        SER  14  -4.040  -6.538   6.685
   80    HA   SER  14           HA       SER  14  -6.644  -5.979   5.507
   81    HB2  SER  14           HB2      SER  14  -7.412  -6.827   7.796
   82    HB3  SER  14           HB3      SER  14  -6.657  -8.001   6.720
   83    HG   SER  14           HG       SER  14  -5.048  -6.586   8.556
   84    H    GLY  15           H        GLY  15  -4.217  -4.292   6.819
   85    HA2  GLY  15           HA2      GLY  15  -5.649  -2.623   8.660
   86    HA3  GLY  15           HA3      GLY  15  -4.019  -2.359   8.051
   87    HA   PRO  16           HA       PRO  16  -7.072   0.754   6.192
   88    HB2  PRO  16           HB2      PRO  16  -5.501   2.935   6.826
   89    HB3  PRO  16           HB3      PRO  16  -6.824   2.347   7.825
   90    HG2  PRO  16           HG2      PRO  16  -3.889   1.797   8.105
   91    HG3  PRO  16           HG3      PRO  16  -5.089   2.161   9.365
   92    HD2  PRO  16           HD2      PRO  16  -4.231  -0.319   8.900
   93    HD3  PRO  16           HD3      PRO  16  -5.924   0.005   9.335
   94    H    THR  17           H        THR  17  -6.856   0.935   4.067
   95    HA   THR  17           HA       THR  17  -4.267   0.547   2.826
   96    HB   THR  17           HB       THR  17  -5.741   0.240   0.818
   97    HG1  THR  17           HG1      THR  17  -7.977  -0.090   1.347
   98   HG21  THR  17          HG21      THR  17  -6.286  -1.492   3.238
   99   HG22  THR  17          HG22      THR  17  -4.916  -1.659   2.136
  100   HG23  THR  17          HG23      THR  17  -6.553  -1.965   1.559
  101    H    VAL  18           H        VAL  18  -5.607   3.242   3.862
  102    HA   VAL  18           HA       VAL  18  -5.438   4.727   1.383
  103    HB   VAL  18           HB       VAL  18  -7.365   5.232   2.757
  104   HG11  VAL  18          HG11      VAL  18  -7.201   6.291   4.958
  105   HG12  VAL  18          HG12      VAL  18  -5.453   6.066   4.932
  106   HG13  VAL  18          HG13      VAL  18  -6.523   4.667   4.955
  107   HG21  VAL  18          HG21      VAL  18  -7.170   7.676   2.942
  108   HG22  VAL  18          HG22      VAL  18  -6.481   7.070   1.439
  109   HG23  VAL  18          HG23      VAL  18  -5.419   7.538   2.771
  110    H    CYS  19           H        CYS  19  -3.778   5.844   0.777
  111    HA   CYS  19           HA       CYS  19  -1.435   6.024   2.443
  112    HB2  CYS  19           HB2      CYS  19  -1.952   6.945  -0.386
  113    HB3  CYS  19           HB3      CYS  19  -0.396   7.015   0.429
  114    H    ALA  20           H        ALA  20  -0.291   8.010   2.701
  115    HA   ALA  20           HA       ALA  20  -1.855  10.183   3.618
  116    HB1  ALA  20           HB1      ALA  20   1.115  10.037   3.050
  117    HB2  ALA  20           HB2      ALA  20   0.333   9.622   4.576
  118    HB3  ALA  20           HB3      ALA  20   0.300  11.284   3.996
  119    H    SER  21           H        SER  21  -1.821  12.372   2.774
  120    HA   SER  21           HA       SER  21  -2.457  12.467   0.082
  121    HB2  SER  21           HB2      SER  21  -2.244  14.995   0.598
  122    HB3  SER  21           HB3      SER  21  -3.499  14.048   1.399
  123    HG   SER  21           HG       SER  21  -1.533  15.445   2.476
  124    H    GLY  22           H        GLY  22  -1.334  12.823  -1.675
  125    HA2  GLY  22           HA2      GLY  22   0.450  13.931  -2.822
  126    HA3  GLY  22           HA3      GLY  22   1.463  13.656  -1.403
  127    H    THR  23           H        THR  23   0.011  10.931  -1.280
  128    HA   THR  23           HA       THR  23   1.677   9.657  -3.327
  129    HB   THR  23           HB       THR  23   2.171   7.812  -1.743
  130    HG1  THR  23           HG1      THR  23   0.505   9.354  -0.047
  131   HG21  THR  23          HG21      THR  23   2.896  10.530  -0.646
  132   HG22  THR  23          HG22      THR  23   3.747   9.674  -1.930
  133   HG23  THR  23          HG23      THR  23   3.724   9.011  -0.292
  134    H    THR  24           H        THR  24   0.949   7.636  -4.113
  135    HA   THR  24           HA       THR  24  -1.912   7.119  -3.671
  136    HB   THR  24           HB       THR  24  -1.876   6.210  -6.028
  137    HG1  THR  24           HG1      THR  24   0.800   6.946  -5.833
  138   HG21  THR  24          HG21      THR  24  -1.213   9.144  -5.723
  139   HG22  THR  24          HG22      THR  24  -2.812   8.422  -5.561
  140   HG23  THR  24          HG23      THR  24  -1.996   8.414  -7.125
  141    H    CYS  25           H        CYS  25  -2.514   4.856  -3.597
  142    HA   CYS  25           HA       CYS  25  -0.392   3.171  -2.686
  143    HB2  CYS  25           HB2      CYS  25  -2.709   2.975  -1.750
  144    HB3  CYS  25           HB3      CYS  25  -3.256   2.434  -3.333
  145    H    GLN  26           H        GLN  26   1.026   2.494  -4.127
  146    HA   GLN  26           HA       GLN  26   0.027   1.715  -6.720
  147    HB2  GLN  26           HB2      GLN  26   2.803   2.393  -5.784
  148    HB3  GLN  26           HB3      GLN  26   2.431   1.749  -7.380
  149    HG2  GLN  26           HG2      GLN  26   1.359   4.322  -6.250
  150    HG3  GLN  26           HG3      GLN  26   2.688   4.192  -7.394
  151   HE21  GLN  26          HE21      GLN  26   0.128   5.547  -7.684
  152   HE22  GLN  26          HE22      GLN  26  -0.621   4.855  -9.079
  153    H    VAL  27           H        VAL  27  -0.443  -0.217  -6.911
  154    HA   VAL  27           HA       VAL  27   0.602  -2.282  -5.227
  155    HB   VAL  27           HB       VAL  27  -1.206  -2.446  -7.664
  156   HG11  VAL  27          HG11      VAL  27  -1.840  -4.658  -6.802
  157   HG12  VAL  27          HG12      VAL  27  -0.633  -4.494  -5.526
  158   HG13  VAL  27          HG13      VAL  27  -0.126  -4.580  -7.212
  159   HG21  VAL  27          HG21      VAL  27  -3.044  -2.620  -6.067
  160   HG22  VAL  27          HG22      VAL  27  -2.141  -1.109  -5.838
  161   HG23  VAL  27          HG23      VAL  27  -1.902  -2.454  -4.731
  162    H    LEU  28           H        LEU  28   2.402  -3.332  -5.625
  163    HA   LEU  28           HA       LEU  28   3.557  -3.201  -8.326
  164    HB2  LEU  28           HB2      LEU  28   4.891  -3.891  -5.688
  165    HB3  LEU  28           HB3      LEU  28   5.696  -3.758  -7.235
  166    HG   LEU  28           HG       LEU  28   4.428  -1.487  -5.698
  167   HD11  LEU  28          HD11      LEU  28   6.730  -0.715  -5.412
  168   HD12  LEU  28          HD12      LEU  28   7.316  -2.173  -6.212
  169   HD13  LEU  28          HD13      LEU  28   6.470  -2.292  -4.667
  170   HD21  LEU  28          HD21      LEU  28   5.455  -0.042  -7.384
  171   HD22  LEU  28          HD22      LEU  28   4.268  -1.129  -8.107
  172   HD23  LEU  28          HD23      LEU  28   5.993  -1.465  -8.281
  173    H    ASN  29           H        ASN  29   3.671  -5.331  -5.565
  174    HA   ASN  29           HA       ASN  29   3.295  -7.652  -7.296
  175    HB2  ASN  29           HB2      ASN  29   4.043  -7.442  -4.353
  176    HB3  ASN  29           HB3      ASN  29   3.765  -8.940  -5.225
  177   HD21  ASN  29          HD21      ASN  29   5.972  -6.281  -4.743
  178   HD22  ASN  29          HD22      ASN  29   7.266  -6.993  -5.612
  179    HA   PRO  30           HA       PRO  30  -0.950  -7.949  -6.014
  180    HB2  PRO  30           HB2      PRO  30  -0.610 -10.752  -5.107
  181    HB3  PRO  30           HB3      PRO  30  -1.666 -10.106  -6.365
  182    HG2  PRO  30           HG2      PRO  30   0.508 -11.531  -6.995
  183    HG3  PRO  30           HG3      PRO  30  -0.007 -10.141  -7.971
  184    HD2  PRO  30           HD2      PRO  30   2.179 -10.318  -5.936
  185    HD3  PRO  30           HD3      PRO  30   2.179  -9.506  -7.517
  186    H    TYR  31           H        TYR  31   1.447  -9.260  -3.805
  187    HA   TYR  31           HA       TYR  31  -0.355  -8.735  -1.567
  188    HB2  TYR  31           HB2      TYR  31   2.302 -10.190  -1.615
  189    HB3  TYR  31           HB3      TYR  31   1.278  -9.993  -0.206
  190    HD1  TYR  31           HD1      TYR  31   1.194 -11.416  -3.673
  191    HD2  TYR  31           HD2      TYR  31  -0.266 -11.649   0.313
  192    HE1  TYR  31           HE1      TYR  31   0.009 -13.489  -4.241
  193    HE2  TYR  31           HE2      TYR  31  -1.457 -13.719  -0.251
  194    HH   TYR  31           HH       TYR  31  -0.868 -15.445  -3.095
  195    H    TYR  32           H        TYR  32   2.535  -7.526  -3.093
  196    HA   TYR  32           HA       TYR  32   2.847  -5.699  -0.831
  197    HB2  TYR  32           HB2      TYR  32   4.911  -6.950  -1.326
  198    HB3  TYR  32           HB3      TYR  32   4.928  -6.283  -2.954
  199    HD1  TYR  32           HD1      TYR  32   6.039  -4.281  -3.372
  200    HD2  TYR  32           HD2      TYR  32   4.947  -5.236   0.624
  201    HE1  TYR  32           HE1      TYR  32   7.270  -2.311  -2.563
  202    HE2  TYR  32           HE2      TYR  32   6.173  -3.274   1.439
  203    HH   TYR  32           HH       TYR  32   7.911  -1.777   0.769
  204    H    SER  33           H        SER  33   1.929  -3.849  -1.047
  205    HA   SER  33           HA       SER  33   2.088  -2.448  -3.616
  206    HB2  SER  33           HB2      SER  33  -0.128  -2.232  -1.561
  207    HB3  SER  33           HB3      SER  33  -0.091  -1.500  -3.166
  208    HG   SER  33           HG       SER  33  -1.341  -3.488  -2.928
  209    H    GLN  34           H        GLN  34   2.602  -0.210  -3.359
  210    HA   GLN  34           HA       GLN  34   3.455   0.519  -0.641
  211    HB2  GLN  34           HB2      GLN  34   5.348  -0.392  -1.921
  212    HB3  GLN  34           HB3      GLN  34   5.059   0.801  -3.179
  213    HG2  GLN  34           HG2      GLN  34   5.503   2.580  -1.526
  214    HG3  GLN  34           HG3      GLN  34   5.900   1.337  -0.348
  215   HE21  GLN  34          HE21      GLN  34   7.232  -0.365  -2.298
  216   HE22  GLN  34          HE22      GLN  34   8.717   0.420  -2.691
  217    H    CYS  35           H        CYS  35   3.129   2.667  -0.160
  218    HA   CYS  35           HA       CYS  35   1.602   4.253  -1.982
  219    HB2  CYS  35           HB2      CYS  35   2.916   5.069   0.613
  220    HB3  CYS  35           HB3      CYS  35   1.779   6.050  -0.301
  221    H    LEU  36           H        LEU  36   2.379   5.239  -3.638
  222    HA   LEU  36           HA       LEU  36   4.982   6.528  -3.482
  223    HB2  LEU  36           HB2      LEU  36   3.731   5.116  -5.847
  224    HB3  LEU  36           HB3      LEU  36   5.209   6.057  -5.913
  225    HG   LEU  36           HG       LEU  36   4.838   3.490  -4.358
  226   HD11  LEU  36          HD11      LEU  36   4.836   3.107  -6.760
  227   HD12  LEU  36          HD12      LEU  36   6.332   2.517  -6.034
  228   HD13  LEU  36          HD13      LEU  36   6.322   4.042  -6.920
  229   HD21  LEU  36          HD21      LEU  36   7.255   3.588  -4.037
  230   HD22  LEU  36          HD22      LEU  36   6.473   4.994  -3.319
  231   HD23  LEU  36          HD23      LEU  36   7.322   5.143  -4.859
  232    H1   MAN 101           H1       MAN 101   5.140   8.524   7.204
  233    H2   MAN 101           H2       MAN 101   5.904  10.496   5.781
  234    H3   MAN 101           H3       MAN 101   7.043   9.252   4.012
  235    H4   MAN 101           H4       MAN 101   9.018   8.474   6.189
  236    H5   MAN 101           H5       MAN 101   7.016   6.822   4.543
  237    H61  MAN 101           H61      MAN 101   8.945   6.029   6.756
  238    H62  MAN 101           H62      MAN 101   9.082   5.555   5.041
  239    HO2  MAN 101           HO2      MAN 101   7.763   9.263   7.586
  240    HO3  MAN 101           HO3      MAN 101   8.760  10.782   5.712
  241    HO4  MAN 101           HO4      MAN 101   9.848   8.930   4.140
  242    HO6  MAN 101           HO6      MAN 101   6.794   4.962   6.680
  Start of MODEL    2
    1    H1   THR   1           H1       THR   1  -2.771   4.523   9.385
    2    H2   THR   1           H2       THR   1  -3.151   6.109   9.910
    3    H3   THR   1           H3       THR   1  -1.558   5.543   9.953
    4    HA   THR   1           HA       THR   1  -3.071   5.966   7.496
    5    HB   THR   1           HB       THR   1  -0.841   7.631   8.722
    6    HG1  THR   1           HG1      THR   1  -2.529   9.072   9.313
    7   HG21  THR   1          HG21      THR   1  -2.872   8.241   6.546
    8   HG22  THR   1          HG22      THR   1  -1.178   7.847   6.269
    9   HG23  THR   1          HG23      THR   1  -1.609   9.333   7.116
   10    H    GLN   2           H        GLN   2  -1.462   5.830   5.623
   11    HA   GLN   2           HA       GLN   2   0.989   4.455   6.392
   12    HB2  GLN   2           HB2      GLN   2  -0.753   2.948   5.300
   13    HB3  GLN   2           HB3      GLN   2  -0.587   3.938   3.856
   14    HG2  GLN   2           HG2      GLN   2   0.756   1.935   3.660
   15    HG3  GLN   2           HG3      GLN   2   1.794   3.360   3.751
   16   HE21  GLN   2          HE21      GLN   2   0.750   0.492   5.350
   17   HE22  GLN   2          HE22      GLN   2   1.905   0.488   6.618
   18    H    SER   3           H        SER   3   2.808   5.300   5.400
   19    HA   SER   3           HA       SER   3   2.267   7.678   3.783
   20    HB2  SER   3           HB2      SER   3   4.647   7.058   5.530
   21    HB3  SER   3           HB3      SER   3   4.445   8.509   4.549
   22    H    HIS   4           H        HIS   4   4.613   8.225   2.594
   23    HA   HIS   4           HA       HIS   4   4.605   6.571   0.350
   24    HB2  HIS   4           HB2      HIS   4   5.427   8.972   0.465
   25    HB3  HIS   4           HB3      HIS   4   6.886   8.360   1.223
   26    HD1  HIS   4           HD1      HIS   4   8.701   7.454  -0.314
   27    HD2  HIS   4           HD2      HIS   4   5.134   8.237  -2.285
   28    HE1  HIS   4           HE1      HIS   4   9.201   7.188  -2.736
   29    HE2  HIS   4           HE2      HIS   4   7.164   8.108  -3.847
   30    H    ALA   5           H        ALA   5   5.641   4.830  -0.195
   31    HA   ALA   5           HA       ALA   5   7.004   3.081  -0.297
   32    HB1  ALA   5           HB1      ALA   5   9.124   2.914   0.866
   33    HB2  ALA   5           HB2      ALA   5   8.664   4.221   1.959
   34    HB3  ALA   5           HB3      ALA   5   8.922   4.556   0.247
   35    H    GLY   6           H        GLY   6   5.028   3.788   2.218
   36    HA2  GLY   6           HA2      GLY   6   5.546   1.380   3.709
   37    HA3  GLY   6           HA3      GLY   6   4.251   2.540   3.990
   38    H    GLN   7           H        GLN   7   4.225  -0.431   3.730
   39    HA   GLN   7           HA       GLN   7   2.951  -1.152   1.320
   40    HB2  GLN   7           HB2      GLN   7   3.883  -2.865   2.778
   41    HB3  GLN   7           HB3      GLN   7   2.757  -2.430   4.054
   42    HG2  GLN   7           HG2      GLN   7   0.898  -3.193   2.728
   43    HG3  GLN   7           HG3      GLN   7   1.937  -3.597   1.374
   44   HE21  GLN   7          HE21      GLN   7   1.409  -5.846   1.422
   45   HE22  GLN   7          HE22      GLN   7   1.870  -6.845   2.722
   46    H    CYS   8           H        CYS   8   1.202  -0.297   0.600
   47    HA   CYS   8           HA       CYS   8  -0.700   0.951   2.393
   48    HB2  CYS   8           HB2      CYS   8  -1.739   1.781   0.322
   49    HB3  CYS   8           HB3      CYS   8  -0.036   2.201   0.469
   50    H    GLY   9           H        GLY   9  -0.742  -1.722   0.056
   51    HA2  GLY   9           HA2      GLY   9  -2.889  -2.944   1.381
   52    HA3  GLY   9           HA3      GLY   9  -3.523  -1.942   0.085
   53    H    GLY  10           H        GLY  10  -1.546  -4.626   0.899
   54    HA2  GLY  10           HA2      GLY  10  -1.723  -5.541  -1.874
   55    HA3  GLY  10           HA3      GLY  10  -0.592  -6.155  -0.666
   56    H    ILE  11           H        ILE  11  -1.929  -8.064  -1.824
   57    HA   ILE  11           HA       ILE  11  -4.412  -8.696  -0.637
   58    HB   ILE  11           HB       ILE  11  -2.308 -10.594  -1.740
   59   HG12  ILE  11          HG12      ILE  11  -4.702  -9.334  -3.092
   60   HG13  ILE  11          HG13      ILE  11  -3.029  -8.876  -3.355
   61   HG21  ILE  11          HG21      ILE  11  -5.268 -11.008  -1.277
   62   HG22  ILE  11          HG22      ILE  11  -3.964 -11.747  -0.349
   63   HG23  ILE  11          HG23      ILE  11  -4.178 -12.160  -2.051
   64   HD11  ILE  11          HD11      ILE  11  -2.562 -11.093  -4.260
   65   HD12  ILE  11          HD12      ILE  11  -3.841 -10.271  -5.155
   66   HD13  ILE  11          HD13      ILE  11  -4.248 -11.546  -4.002
   67    H    GLY  12           H        GLY  12  -4.879  -9.437   1.347
   68    HA2  GLY  12           HA2      GLY  12  -4.479 -10.768   3.257
   69    HA3  GLY  12           HA3      GLY  12  -2.753 -10.663   2.934
   70    H    TYR  13           H        TYR  13  -3.353  -7.690   2.407
   71    HA   TYR  13           HA       TYR  13  -2.745  -6.904   5.123
   72    HB2  TYR  13           HB2      TYR  13  -1.407  -6.074   3.178
   73    HB3  TYR  13           HB3      TYR  13  -2.833  -5.231   2.600
   74    HD1  TYR  13           HD1      TYR  13  -0.487  -5.422   5.471
   75    HD2  TYR  13           HD2      TYR  13  -3.263  -3.027   3.326
   76    HE1  TYR  13           HE1      TYR  13   0.202  -3.463   6.774
   77    HE2  TYR  13           HE2      TYR  13  -2.572  -1.056   4.617
   78    HH   TYR  13           HH       TYR  13  -1.542  -0.485   6.635
   79    H    SER  14           H        SER  14  -4.440  -6.582   6.419
   80    HA   SER  14           HA       SER  14  -6.916  -5.551   5.301
   81    HB2  SER  14           HB2      SER  14  -7.829  -6.285   7.522
   82    HB3  SER  14           HB3      SER  14  -7.143  -7.589   6.552
   83    HG   SER  14           HG       SER  14  -6.300  -6.466   8.913
   84    H    GLY  15           H        GLY  15  -4.205  -4.336   6.484
   85    HA2  GLY  15           HA2      GLY  15  -5.124  -2.509   8.478
   86    HA3  GLY  15           HA3      GLY  15  -3.565  -2.478   7.665
   87    HA   PRO  16           HA       PRO  16  -6.307   1.098   6.281
   88    HB2  PRO  16           HB2      PRO  16  -4.366   2.999   6.726
   89    HB3  PRO  16           HB3      PRO  16  -5.632   2.582   7.882
   90    HG2  PRO  16           HG2      PRO  16  -2.787   1.675   7.778
   91    HG3  PRO  16           HG3      PRO  16  -3.780   2.116   9.179
   92    HD2  PRO  16           HD2      PRO  16  -3.284  -0.442   8.538
   93    HD3  PRO  16           HD3      PRO  16  -4.834   0.066   9.242
   94    H    THR  17           H        THR  17  -6.320   1.221   4.163
   95    HA   THR  17           HA       THR  17  -3.906   0.873   2.625
   96    HB   THR  17           HB       THR  17  -5.584   0.770   0.721
   97    HG1  THR  17           HG1      THR  17  -7.647   0.972   1.136
   98   HG21  THR  17          HG21      THR  17  -6.040  -1.178   2.995
   99   HG22  THR  17          HG22      THR  17  -4.741  -1.281   1.808
  100   HG23  THR  17          HG23      THR  17  -6.421  -1.463   1.294
  101    H    VAL  18           H        VAL  18  -5.413   3.315   4.066
  102    HA   VAL  18           HA       VAL  18  -5.455   5.226   1.954
  103    HB   VAL  18           HB       VAL  18  -7.093   5.423   3.755
  104   HG11  VAL  18          HG11      VAL  18  -5.855   4.569   5.639
  105   HG12  VAL  18          HG12      VAL  18  -6.510   6.162   6.013
  106   HG13  VAL  18          HG13      VAL  18  -4.802   5.981   5.618
  107   HG21  VAL  18          HG21      VAL  18  -6.853   7.819   4.276
  108   HG22  VAL  18          HG22      VAL  18  -6.519   7.454   2.583
  109   HG23  VAL  18          HG23      VAL  18  -5.187   7.751   3.699
  110    H    CYS  19           H        CYS  19  -3.714   5.963   1.095
  111    HA   CYS  19           HA       CYS  19  -1.233   6.186   2.531
  112    HB2  CYS  19           HB2      CYS  19  -1.992   6.926  -0.303
  113    HB3  CYS  19           HB3      CYS  19  -0.367   6.993   0.362
  114    H    ALA  20           H        ALA  20  -0.138   8.121   2.833
  115    HA   ALA  20           HA       ALA  20  -1.563  10.357   3.671
  116    HB1  ALA  20           HB1      ALA  20   0.594  11.520   3.725
  117    HB2  ALA  20           HB2      ALA  20   1.310  10.252   2.731
  118    HB3  ALA  20           HB3      ALA  20   0.744   9.881   4.361
  119    H    SER  21           H        SER  21  -1.985  12.368   2.755
  120    HA   SER  21           HA       SER  21  -2.913  12.446   0.188
  121    HB2  SER  21           HB2      SER  21  -2.000  14.761   1.900
  122    HB3  SER  21           HB3      SER  21  -3.171  14.830   0.580
  123    HG   SER  21           HG       SER  21  -4.523  13.497   1.740
  124    H    GLY  22           H        GLY  22  -1.900  12.443  -1.690
  125    HA2  GLY  22           HA2      GLY  22  -0.468  13.682  -3.216
  126    HA3  GLY  22           HA3      GLY  22   0.698  13.804  -1.910
  127    H    THR  23           H        THR  23  -0.267  10.838  -1.390
  128    HA   THR  23           HA       THR  23   1.498   9.681  -3.433
  129    HB   THR  23           HB       THR  23   2.169   7.947  -1.787
  130    HG1  THR  23           HG1      THR  23   0.423   9.421  -0.104
  131   HG21  THR  23          HG21      THR  23   2.608  10.766  -0.808
  132   HG22  THR  23          HG22      THR  23   3.572   9.920  -2.020
  133   HG23  THR  23          HG23      THR  23   3.564   9.359  -0.345
  134    H    THR  24           H        THR  24   0.909   7.620  -4.278
  135    HA   THR  24           HA       THR  24  -1.910   6.988  -3.778
  136    HB   THR  24           HB       THR  24  -1.904   6.046  -6.112
  137    HG1  THR  24           HG1      THR  24   0.760   6.959  -6.013
  138   HG21  THR  24          HG21      THR  24  -2.066   8.243  -7.225
  139   HG22  THR  24          HG22      THR  24  -1.282   8.989  -5.833
  140   HG23  THR  24          HG23      THR  24  -2.867   8.235  -5.653
  141    H    CYS  25           H        CYS  25  -2.517   4.771  -3.722
  142    HA   CYS  25           HA       CYS  25  -0.451   3.073  -2.668
  143    HB2  CYS  25           HB2      CYS  25  -2.738   2.959  -1.745
  144    HB3  CYS  25           HB3      CYS  25  -3.356   2.470  -3.318
  145    H    GLN  26           H        GLN  26   1.005   2.335  -4.125
  146    HA   GLN  26           HA       GLN  26  -0.096   1.477  -6.657
  147    HB2  GLN  26           HB2      GLN  26   2.752   2.199  -5.989
  148    HB3  GLN  26           HB3      GLN  26   2.206   1.609  -7.553
  149    HG2  GLN  26           HG2      GLN  26   0.633   3.572  -7.629
  150    HG3  GLN  26           HG3      GLN  26   1.463   4.192  -6.208
  151   HE21  GLN  26          HE21      GLN  26   2.193   6.004  -7.277
  152   HE22  GLN  26          HE22      GLN  26   3.442   5.949  -8.459
  153    H    VAL  27           H        VAL  27  -0.288  -0.459  -7.089
  154    HA   VAL  27           HA       VAL  27   0.679  -2.502  -5.299
  155    HB   VAL  27           HB       VAL  27  -1.096  -2.697  -7.748
  156   HG11  VAL  27          HG11      VAL  27   0.023  -4.819  -7.315
  157   HG12  VAL  27          HG12      VAL  27  -1.691  -4.933  -6.926
  158   HG13  VAL  27          HG13      VAL  27  -0.501  -4.768  -5.633
  159   HG21  VAL  27          HG21      VAL  27  -2.911  -2.985  -6.130
  160   HG22  VAL  27          HG22      VAL  27  -2.133  -1.409  -5.985
  161   HG23  VAL  27          HG23      VAL  27  -1.780  -2.684  -4.815
  162    H    LEU  28           H        LEU  28   2.685  -3.003  -5.562
  163    HA   LEU  28           HA       LEU  28   3.908  -3.141  -8.179
  164    HB2  LEU  28           HB2      LEU  28   5.069  -3.918  -5.491
  165    HB3  LEU  28           HB3      LEU  28   5.962  -3.646  -6.964
  166    HG   LEU  28           HG       LEU  28   4.546  -1.570  -5.303
  167   HD11  LEU  28          HD11      LEU  28   6.802  -0.722  -4.923
  168   HD12  LEU  28          HD12      LEU  28   7.456  -2.087  -5.829
  169   HD13  LEU  28          HD13      LEU  28   6.585  -2.365  -4.319
  170   HD21  LEU  28          HD21      LEU  28   4.388  -0.987  -7.669
  171   HD22  LEU  28          HD22      LEU  28   6.123  -1.229  -7.857
  172   HD23  LEU  28          HD23      LEU  28   5.519   0.081  -6.840
  173    H    ASN  29           H        ASN  29   3.933  -5.359  -5.444
  174    HA   ASN  29           HA       ASN  29   3.565  -7.616  -7.257
  175    HB2  ASN  29           HB2      ASN  29   4.340  -7.537  -4.324
  176    HB3  ASN  29           HB3      ASN  29   4.180  -9.000  -5.289
  177   HD21  ASN  29          HD21      ASN  29   6.165  -6.321  -4.469
  178   HD22  ASN  29          HD22      ASN  29   7.526  -6.792  -5.392
  179    HA   PRO  30           HA       PRO  30  -0.640  -8.228  -5.946
  180    HB2  PRO  30           HB2      PRO  30   0.044 -10.893  -4.805
  181    HB3  PRO  30           HB3      PRO  30  -1.195 -10.461  -5.990
  182    HG2  PRO  30           HG2      PRO  30   1.014 -11.691  -6.766
  183    HG3  PRO  30           HG3      PRO  30   0.312 -10.389  -7.745
  184    HD2  PRO  30           HD2      PRO  30   2.670 -10.328  -5.911
  185    HD3  PRO  30           HD3      PRO  30   2.466  -9.548  -7.494
  186    H    TYR  31           H        TYR  31   1.708  -9.428  -3.500
  187    HA   TYR  31           HA       TYR  31  -0.212  -8.701  -1.418
  188    HB2  TYR  31           HB2      TYR  31   2.458 -10.110  -1.075
  189    HB3  TYR  31           HB3      TYR  31   1.180  -9.941   0.112
  190    HD1  TYR  31           HD1      TYR  31   2.237 -11.704  -2.927
  191    HD2  TYR  31           HD2      TYR  31  -0.796 -11.327   0.023
  192    HE1  TYR  31           HE1      TYR  31   1.244 -13.820  -3.681
  193    HE2  TYR  31           HE2      TYR  31  -1.792 -13.441  -0.723
  194    HH   TYR  31           HH       TYR  31  -1.852 -14.752  -2.759
  195    H    TYR  32           H        TYR  32   2.817  -7.688  -2.803
  196    HA   TYR  32           HA       TYR  32   3.034  -5.737  -0.648
  197    HB2  TYR  32           HB2      TYR  32   5.077  -7.054  -1.061
  198    HB3  TYR  32           HB3      TYR  32   5.143  -6.435  -2.707
  199    HD1  TYR  32           HD1      TYR  32   5.105  -5.295   0.836
  200    HD2  TYR  32           HD2      TYR  32   6.304  -4.460  -3.163
  201    HE1  TYR  32           HE1      TYR  32   6.363  -3.337   1.628
  202    HE2  TYR  32           HE2      TYR  32   7.563  -2.511  -2.372
  203    HH   TYR  32           HH       TYR  32   7.580  -0.989  -0.527
  204    H    SER  33           H        SER  33   2.161  -3.899  -0.978
  205    HA   SER  33           HA       SER  33   2.400  -2.577  -3.566
  206    HB2  SER  33           HB2      SER  33  -0.070  -2.633  -1.801
  207    HB3  SER  33           HB3      SER  33   0.067  -1.881  -3.391
  208    HG   SER  33           HG       SER  33   0.745  -4.382  -3.782
  209    H    GLN  34           H        GLN  34   2.799  -0.293  -3.204
  210    HA   GLN  34           HA       GLN  34   2.865   0.482  -0.401
  211    HB2  GLN  34           HB2      GLN  34   5.124   1.414  -0.584
  212    HB3  GLN  34           HB3      GLN  34   5.115  -0.325  -0.801
  213    HG2  GLN  34           HG2      GLN  34   5.331  -0.037  -3.209
  214    HG3  GLN  34           HG3      GLN  34   5.288   1.716  -3.000
  215   HE21  GLN  34          HE21      GLN  34   7.080   2.752  -2.167
  216   HE22  GLN  34          HE22      GLN  34   8.617   1.990  -2.020
  217    H    CYS  35           H        CYS  35   2.914   2.687  -0.021
  218    HA   CYS  35           HA       CYS  35   1.465   4.209  -1.930
  219    HB2  CYS  35           HB2      CYS  35   2.824   5.127   0.604
  220    HB3  CYS  35           HB3      CYS  35   1.625   6.034  -0.309
  221    H    LEU  36           H        LEU  36   2.274   5.137  -3.615
  222    HA   LEU  36           HA       LEU  36   4.874   6.420  -3.470
  223    HB2  LEU  36           HB2      LEU  36   3.688   4.925  -5.821
  224    HB3  LEU  36           HB3      LEU  36   5.162   5.863  -5.870
  225    HG   LEU  36           HG       LEU  36   4.746   3.336  -4.273
  226   HD11  LEU  36          HD11      LEU  36   4.837   2.920  -6.674
  227   HD12  LEU  36          HD12      LEU  36   6.297   2.334  -5.876
  228   HD13  LEU  36          HD13      LEU  36   6.334   3.845  -6.784
  229   HD21  LEU  36          HD21      LEU  36   7.171   3.459  -3.906
  230   HD22  LEU  36          HD22      LEU  36   6.314   4.818  -3.180
  231   HD23  LEU  36          HD23      LEU  36   7.194   5.035  -4.694
  232    H1   MAN 101           H1       MAN 101   4.907   8.597   7.317
  233    H2   MAN 101           H2       MAN 101   2.890   8.817   8.792
  234    H3   MAN 101           H3       MAN 101   1.423  10.026   7.224
  235    H4   MAN 101           H4       MAN 101   3.382  12.308   7.675
  236    H5   MAN 101           H5       MAN 101   2.746  10.682   5.157
  237    H61  MAN 101           H61      MAN 101   3.368  13.049   4.721
  238    H62  MAN 101           H62      MAN 101   4.541  11.905   4.064
  239    HO2  MAN 101           HO2      MAN 101   3.622  10.703   9.796
  240    HO3  MAN 101           HO3      MAN 101   0.872  11.726   8.719
  241    HO4  MAN 101           HO4      MAN 101   1.992  13.363   6.197
  242    HO6  MAN 101           HO6      MAN 101   5.589  12.238   6.304
  Start of MODEL    3
    1    H1   THR   1           H1       THR   1  -2.499   6.278   8.900
    2    H2   THR   1           H2       THR   1  -3.102   4.847   8.251
    3    H3   THR   1           H3       THR   1  -4.100   6.239   8.439
    4    HA   THR   1           HA       THR   1  -3.471   6.000   6.169
    5    HB   THR   1           HB       THR   1  -2.182   8.341   7.595
    6    HG1  THR   1           HG1      THR   1  -4.342   9.153   7.636
    7   HG21  THR   1          HG21      THR   1  -1.915   8.285   5.133
    8   HG22  THR   1          HG22      THR   1  -2.978   9.597   5.648
    9   HG23  THR   1          HG23      THR   1  -3.663   8.124   4.964
   10    H    GLN   2           H        GLN   2  -1.978   4.977   4.968
   11    HA   GLN   2           HA       GLN   2   0.555   4.341   6.118
   12    HB2  GLN   2           HB2      GLN   2  -0.774   2.720   4.767
   13    HB3  GLN   2           HB3      GLN   2  -0.488   3.708   3.345
   14    HG2  GLN   2           HG2      GLN   2   1.025   1.796   3.413
   15    HG3  GLN   2           HG3      GLN   2   1.915   3.312   3.537
   16   HE21  GLN   2          HE21      GLN   2   0.917   0.453   5.183
   17   HE22  GLN   2          HE22      GLN   2   1.926   0.610   6.556
   18    H    SER   3           H        SER   3   2.532   4.900   5.365
   19    HA   SER   3           HA       SER   3   2.632   7.558   4.150
   20    HB2  SER   3           HB2      SER   3   3.492   7.389   6.375
   21    HB3  SER   3           HB3      SER   3   4.430   5.964   5.942
   22    H    HIS   4           H        HIS   4   4.774   7.901   2.938
   23    HA   HIS   4           HA       HIS   4   4.921   6.236   0.680
   24    HB2  HIS   4           HB2      HIS   4   5.643   8.549   0.517
   25    HB3  HIS   4           HB3      HIS   4   6.853   8.289   1.764
   26    HD1  HIS   4           HD1      HIS   4   9.137   8.294   0.738
   27    HD2  HIS   4           HD2      HIS   4   6.316   6.581  -1.782
   28    HE1  HIS   4           HE1      HIS   4  10.407   7.531  -1.269
   29    HE2  HIS   4           HE2      HIS   4   8.609   6.908  -2.896
   30    H    ALA   5           H        ALA   5   6.061   4.499   0.209
   31    HA   ALA   5           HA       ALA   5   7.518   2.821   0.226
   32    HB1  ALA   5           HB1      ALA   5   8.955   4.101   2.561
   33    HB2  ALA   5           HB2      ALA   5   9.302   4.424   0.865
   34    HB3  ALA   5           HB3      ALA   5   9.570   2.810   1.524
   35    H    GLY   6           H        GLY   6   5.167   3.260   2.202
   36    HA2  GLY   6           HA2      GLY   6   5.689   0.865   3.820
   37    HA3  GLY   6           HA3      GLY   6   4.422   2.052   4.121
   38    H    GLN   7           H        GLN   7   3.847  -0.678   3.990
   39    HA   GLN   7           HA       GLN   7   2.857  -1.274   1.345
   40    HB2  GLN   7           HB2      GLN   7   3.787  -3.059   2.777
   41    HB3  GLN   7           HB3      GLN   7   2.528  -2.756   3.958
   42    HG2  GLN   7           HG2      GLN   7   0.840  -3.544   2.454
   43    HG3  GLN   7           HG3      GLN   7   2.005  -3.716   1.143
   44   HE21  GLN   7          HE21      GLN   7   0.323  -5.795   2.340
   45   HE22  GLN   7          HE22      GLN   7   1.402  -6.962   2.994
   46    H    CYS   8           H        CYS   8   1.091  -0.368   0.682
   47    HA   CYS   8           HA       CYS   8  -0.764   0.780   2.584
   48    HB2  CYS   8           HB2      CYS   8  -1.833   1.748   0.593
   49    HB3  CYS   8           HB3      CYS   8  -0.133   2.174   0.779
   50    H    GLY   9           H        GLY   9  -0.823  -1.846   0.230
   51    HA2  GLY   9           HA2      GLY   9  -2.975  -3.100   1.478
   52    HA3  GLY   9           HA3      GLY   9  -3.649  -2.027   0.265
   53    H    GLY  10           H        GLY  10  -1.491  -4.687   0.789
   54    HA2  GLY  10           HA2      GLY  10  -2.063  -5.580  -1.952
   55    HA3  GLY  10           HA3      GLY  10  -0.607  -6.028  -1.048
   56    H    ILE  11           H        ILE  11  -2.019  -8.110  -1.950
   57    HA   ILE  11           HA       ILE  11  -4.132  -9.051  -0.419
   58    HB   ILE  11           HB       ILE  11  -1.882 -10.697  -1.631
   59   HG12  ILE  11          HG12      ILE  11  -4.607 -10.010  -2.768
   60   HG13  ILE  11          HG13      ILE  11  -3.090  -9.270  -3.269
   61   HG21  ILE  11          HG21      ILE  11  -3.471 -12.572  -1.596
   62   HG22  ILE  11          HG22      ILE  11  -4.653 -11.552  -0.779
   63   HG23  ILE  11          HG23      ILE  11  -3.147 -11.976   0.035
   64   HD11  ILE  11          HD11      ILE  11  -3.823 -12.180  -3.557
   65   HD12  ILE  11          HD12      ILE  11  -2.301 -11.448  -4.064
   66   HD13  ILE  11          HD13      ILE  11  -3.808 -10.976  -4.846
   67    H    GLY  12           H        GLY  12  -4.219  -9.180   1.715
   68    HA2  GLY  12           HA2      GLY  12  -3.543 -10.548   3.620
   69    HA3  GLY  12           HA3      GLY  12  -1.879 -10.283   3.119
   70    H    TYR  13           H        TYR  13  -3.098  -7.386   2.595
   71    HA   TYR  13           HA       TYR  13  -2.428  -6.527   5.314
   72    HB2  TYR  13           HB2      TYR  13  -1.078  -5.596   3.449
   73    HB3  TYR  13           HB3      TYR  13  -2.537  -4.894   2.762
   74    HD1  TYR  13           HD1      TYR  13  -0.214  -4.765   5.644
   75    HD2  TYR  13           HD2      TYR  13  -3.358  -2.808   3.565
   76    HE1  TYR  13           HE1      TYR  13   0.190  -2.726   6.962
   77    HE2  TYR  13           HE2      TYR  13  -2.967  -0.775   4.874
   78    HH   TYR  13           HH       TYR  13  -1.988  -0.008   6.778
   79    H    SER  14           H        SER  14  -4.123  -6.256   6.557
   80    HA   SER  14           HA       SER  14  -6.624  -5.384   5.342
   81    HB2  SER  14           HB2      SER  14  -7.560  -6.405   7.537
   82    HB3  SER  14           HB3      SER  14  -6.992  -7.481   6.254
   83    HG   SER  14           HG       SER  14  -5.981  -8.277   7.898
   84    H    GLY  15           H        GLY  15  -4.161  -4.016   6.769
   85    HA2  GLY  15           HA2      GLY  15  -5.475  -2.407   8.771
   86    HA3  GLY  15           HA3      GLY  15  -3.818  -2.237   8.202
   87    HA   PRO  16           HA       PRO  16  -6.347   1.401   6.671
   88    HB2  PRO  16           HB2      PRO  16  -4.249   3.168   6.990
   89    HB3  PRO  16           HB3      PRO  16  -5.487   2.849   8.210
   90    HG2  PRO  16           HG2      PRO  16  -2.731   1.719   7.971
   91    HG3  PRO  16           HG3      PRO  16  -3.592   2.276   9.418
   92    HD2  PRO  16           HD2      PRO  16  -3.360  -0.321   8.843
   93    HD3  PRO  16           HD3      PRO  16  -4.847   0.327   9.568
   94    H    THR  17           H        THR  17  -6.493   1.154   4.533
   95    HA   THR  17           HA       THR  17  -4.197   0.619   2.925
   96    HB   THR  17           HB       THR  17  -6.084   0.501   1.172
   97    HG1  THR  17           HG1      THR  17  -8.063   0.799   1.910
   98   HG21  THR  17          HG21      THR  17  -6.040  -1.355   3.569
   99   HG22  THR  17          HG22      THR  17  -4.986  -1.474   2.157
  100   HG23  THR  17          HG23      THR  17  -6.715  -1.753   1.991
  101    H    VAL  18           H        VAL  18  -5.808   3.383   3.885
  102    HA   VAL  18           HA       VAL  18  -5.444   4.864   1.444
  103    HB   VAL  18           HB       VAL  18  -7.354   5.447   2.859
  104   HG11  VAL  18          HG11      VAL  18  -5.363   6.231   4.976
  105   HG12  VAL  18          HG12      VAL  18  -6.485   4.874   5.045
  106   HG13  VAL  18          HG13      VAL  18  -7.100   6.528   5.046
  107   HG21  VAL  18          HG21      VAL  18  -7.056   7.887   3.017
  108   HG22  VAL  18          HG22      VAL  18  -6.420   7.242   1.502
  109   HG23  VAL  18          HG23      VAL  18  -5.317   7.677   2.804
  110    H    CYS  19           H        CYS  19  -3.727   6.061   0.872
  111    HA   CYS  19           HA       CYS  19  -1.431   6.046   2.643
  112    HB2  CYS  19           HB2      CYS  19  -1.647   6.904  -0.270
  113    HB3  CYS  19           HB3      CYS  19  -0.184   6.845   0.689
  114    H    ALA  20           H        ALA  20  -0.103   8.025   2.666
  115    HA   ALA  20           HA       ALA  20  -1.429  10.269   3.622
  116    HB1  ALA  20           HB1      ALA  20   1.319  10.060   2.386
  117    HB2  ALA  20           HB2      ALA  20   0.930   9.812   4.087
  118    HB3  ALA  20           HB3      ALA  20   0.737  11.409   3.355
  119    H    SER  21           H        SER  21  -2.158  12.108   2.619
  120    HA   SER  21           HA       SER  21  -2.896  11.939  -0.054
  121    HB2  SER  21           HB2      SER  21  -2.761  14.348   1.769
  122    HB3  SER  21           HB3      SER  21  -3.605  14.293   0.219
  123    HG   SER  21           HG       SER  21  -4.254  12.227   1.930
  124    H    GLY  22           H        GLY  22  -1.805  12.268  -1.818
  125    HA2  GLY  22           HA2      GLY  22  -0.295  13.636  -3.144
  126    HA3  GLY  22           HA3      GLY  22   0.704  13.814  -1.700
  127    H    THR  23           H        THR  23  -0.146  10.781  -1.311
  128    HA   THR  23           HA       THR  23   1.769   9.710  -3.247
  129    HB   THR  23           HB       THR  23   2.411   7.972  -1.618
  130    HG1  THR  23           HG1      THR  23   0.467   9.275  -0.057
  131   HG21  THR  23          HG21      THR  23   3.737   9.371  -0.075
  132   HG22  THR  23          HG22      THR  23   2.776  10.773  -0.550
  133   HG23  THR  23          HG23      THR  23   3.797   9.965  -1.734
  134    H    THR  24           H        THR  24   1.219   7.744  -4.171
  135    HA   THR  24           HA       THR  24  -1.605   7.117  -3.784
  136    HB   THR  24           HB       THR  24  -1.528   6.280  -6.172
  137    HG1  THR  24           HG1      THR  24   1.124   7.264  -5.928
  138   HG21  THR  24          HG21      THR  24  -2.490   8.452  -5.560
  139   HG22  THR  24          HG22      THR  24  -1.698   8.536  -7.131
  140   HG23  THR  24          HG23      THR  24  -0.901   9.199  -5.704
  141    H    CYS  25           H        CYS  25  -2.272   5.042  -3.568
  142    HA   CYS  25           HA       CYS  25  -0.288   3.163  -2.685
  143    HB2  CYS  25           HB2      CYS  25  -2.429   3.288  -1.501
  144    HB3  CYS  25           HB3      CYS  25  -3.294   2.918  -2.990
  145    H    GLN  26           H        GLN  26   0.889   2.308  -4.287
  146    HA   GLN  26           HA       GLN  26  -0.590   1.436  -6.623
  147    HB2  GLN  26           HB2      GLN  26   2.347   2.037  -6.346
  148    HB3  GLN  26           HB3      GLN  26   1.571   1.438  -7.811
  149    HG2  GLN  26           HG2      GLN  26   0.155   3.432  -7.865
  150    HG3  GLN  26           HG3      GLN  26   0.972   4.041  -6.429
  151   HE21  GLN  26          HE21      GLN  26   1.674   5.843  -7.451
  152   HE22  GLN  26          HE22      GLN  26   2.937   5.830  -8.627
  153    H    VAL  27           H        VAL  27  -0.812  -0.591  -7.036
  154    HA   VAL  27           HA       VAL  27   0.258  -2.535  -5.214
  155    HB   VAL  27           HB       VAL  27  -1.438  -2.948  -7.704
  156   HG11  VAL  27          HG11      VAL  27  -2.008  -5.118  -6.727
  157   HG12  VAL  27          HG12      VAL  27  -0.925  -4.798  -5.375
  158   HG13  VAL  27          HG13      VAL  27  -0.274  -4.984  -7.002
  159   HG21  VAL  27          HG21      VAL  27  -3.343  -3.128  -6.158
  160   HG22  VAL  27          HG22      VAL  27  -2.588  -1.533  -6.100
  161   HG23  VAL  27          HG23      VAL  27  -2.282  -2.697  -4.817
  162    H    LEU  28           H        LEU  28   2.373  -2.682  -5.512
  163    HA   LEU  28           HA       LEU  28   3.620  -2.762  -8.093
  164    HB2  LEU  28           HB2      LEU  28   4.741  -3.474  -5.375
  165    HB3  LEU  28           HB3      LEU  28   5.695  -3.210  -6.808
  166    HG   LEU  28           HG       LEU  28   4.114  -1.150  -5.274
  167   HD11  LEU  28          HD11      LEU  28   6.308  -0.167  -4.841
  168   HD12  LEU  28          HD12      LEU  28   7.067  -1.526  -5.672
  169   HD13  LEU  28          HD13      LEU  28   6.160  -1.797  -4.184
  170   HD21  LEU  28          HD21      LEU  28   4.005  -0.638  -7.661
  171   HD22  LEU  28          HD22      LEU  28   5.754  -0.813  -7.793
  172   HD23  LEU  28          HD23      LEU  28   5.070   0.502  -6.837
  173    H    ASN  29           H        ASN  29   3.711  -5.032  -5.443
  174    HA   ASN  29           HA       ASN  29   3.673  -7.271  -7.316
  175    HB2  ASN  29           HB2      ASN  29   4.296  -7.177  -4.340
  176    HB3  ASN  29           HB3      ASN  29   4.305  -8.630  -5.327
  177   HD21  ASN  29          HD21      ASN  29   6.030  -5.749  -4.474
  178   HD22  ASN  29          HD22      ASN  29   7.461  -6.115  -5.349
  179    HA   PRO  30           HA       PRO  30  -0.543  -8.143  -6.307
  180    HB2  PRO  30           HB2      PRO  30   0.116 -10.896  -5.398
  181    HB3  PRO  30           HB3      PRO  30  -1.003 -10.370  -6.660
  182    HG2  PRO  30           HG2      PRO  30   1.326 -11.473  -7.311
  183    HG3  PRO  30           HG3      PRO  30   0.685 -10.097  -8.230
  184    HD2  PRO  30           HD2      PRO  30   2.804 -10.137  -6.116
  185    HD3  PRO  30           HD3      PRO  30   2.793  -9.258  -7.656
  186    H    TYR  31           H        TYR  31   1.792  -9.239  -3.911
  187    HA   TYR  31           HA       TYR  31  -0.236  -8.900  -1.814
  188    HB2  TYR  31           HB2      TYR  31   2.534 -10.115  -1.584
  189    HB3  TYR  31           HB3      TYR  31   1.327 -10.036  -0.321
  190    HD1  TYR  31           HD1      TYR  31  -0.190 -11.768  -0.031
  191    HD2  TYR  31           HD2      TYR  31   1.959 -11.488  -3.681
  192    HE1  TYR  31           HE1      TYR  31  -1.023 -13.980  -0.686
  193    HE2  TYR  31           HE2      TYR  31   1.123 -13.692  -4.349
  194    HH   TYR  31           HH       TYR  31   0.306 -15.710  -3.258
  195    H    TYR  32           H        TYR  32   2.692  -7.468  -3.072
  196    HA   TYR  32           HA       TYR  32   2.729  -5.692  -0.748
  197    HB2  TYR  32           HB2      TYR  32   4.875  -6.859  -1.238
  198    HB3  TYR  32           HB3      TYR  32   4.942  -6.020  -2.782
  199    HD1  TYR  32           HD1      TYR  32   5.902  -3.839  -2.918
  200    HD2  TYR  32           HD2      TYR  32   4.812  -5.459   0.868
  201    HE1  TYR  32           HE1      TYR  32   7.019  -1.954  -1.781
  202    HE2  TYR  32           HE2      TYR  32   5.918  -3.590   1.997
  203    HH   TYR  32           HH       TYR  32   7.098  -0.806   0.300
  204    H    SER  33           H        SER  33   1.649  -3.905  -1.024
  205    HA   SER  33           HA       SER  33   1.897  -2.481  -3.577
  206    HB2  SER  33           HB2      SER  33  -0.323  -2.273  -1.519
  207    HB3  SER  33           HB3      SER  33  -0.274  -1.483  -3.097
  208    HG   SER  33           HG       SER  33  -1.533  -3.495  -2.881
  209    H    GLN  34           H        GLN  34   2.386  -0.230  -3.346
  210    HA   GLN  34           HA       GLN  34   3.192   0.533  -0.648
  211    HB2  GLN  34           HB2      GLN  34   5.138  -0.481  -1.632
  212    HB3  GLN  34           HB3      GLN  34   4.967   0.493  -3.077
  213    HG2  GLN  34           HG2      GLN  34   5.539   2.477  -1.862
  214    HG3  GLN  34           HG3      GLN  34   5.551   1.581  -0.342
  215   HE21  GLN  34          HE21      GLN  34   7.185   2.073  -3.357
  216   HE22  GLN  34          HE22      GLN  34   8.691   1.394  -2.882
  217    H    CYS  35           H        CYS  35   3.055   2.653  -0.208
  218    HA   CYS  35           HA       CYS  35   1.591   4.348  -1.985
  219    HB2  CYS  35           HB2      CYS  35   3.016   5.066   0.578
  220    HB3  CYS  35           HB3      CYS  35   1.777   6.024  -0.230
  221    H    LEU  36           H        LEU  36   2.441   5.347  -3.612
  222    HA   LEU  36           HA       LEU  36   5.126   6.498  -3.441
  223    HB2  LEU  36           HB2      LEU  36   3.756   5.230  -5.822
  224    HB3  LEU  36           HB3      LEU  36   5.255   6.119  -5.900
  225    HG   LEU  36           HG       LEU  36   4.883   3.555  -4.353
  226   HD11  LEU  36          HD11      LEU  36   6.162   4.054  -7.039
  227   HD12  LEU  36          HD12      LEU  36   4.660   3.181  -6.749
  228   HD13  LEU  36          HD13      LEU  36   6.187   2.530  -6.151
  229   HD21  LEU  36          HD21      LEU  36   7.371   3.599  -4.328
  230   HD22  LEU  36          HD22      LEU  36   6.640   4.917  -3.424
  231   HD23  LEU  36          HD23      LEU  36   7.309   5.217  -5.028
  232    H1   MAN 101           H1       MAN 101   5.505   8.362   7.239
  233    H2   MAN 101           H2       MAN 101   7.019   9.683   5.635
  234    H3   MAN 101           H3       MAN 101   7.773   7.911   4.140
  235    H4   MAN 101           H4       MAN 101   9.114   6.711   6.596
  236    H5   MAN 101           H5       MAN 101   6.668   5.790   5.000
  237    H61  MAN 101           H61      MAN 101   8.110   4.538   7.362
  238    H62  MAN 101           H62      MAN 101   7.937   3.830   5.740
  239    HO2  MAN 101           HO2      MAN 101   8.823   9.471   6.994
  240    HO3  MAN 101           HO3      MAN 101  10.086   8.167   4.529
  241    HO4  MAN 101           HO4      MAN 101   8.759   5.810   3.906
  242    HO6  MAN 101           HO6      MAN 101   5.656   4.615   7.256
  Start of MODEL    4
    1    H1   THR   1           H1       THR   1  -1.434   7.782   9.101
    2    H2   THR   1           H2       THR   1  -2.099   6.278   9.494
    3    H3   THR   1           H3       THR   1  -3.095   7.646   9.346
    4    HA   THR   1           HA       THR   1  -3.274   6.205   7.428
    5    HB   THR   1           HB       THR   1  -1.829   8.803   6.796
    6    HG1  THR   1           HG1      THR   1  -4.596   8.546   7.378
    7   HG21  THR   1          HG21      THR   1  -2.506   7.430   4.864
    8   HG22  THR   1          HG22      THR   1  -3.446   8.921   4.951
    9   HG23  THR   1          HG23      THR   1  -4.160   7.396   5.476
   10    H    GLN   2           H        GLN   2  -2.114   5.161   5.606
   11    HA   GLN   2           HA       GLN   2   0.560   4.500   6.338
   12    HB2  GLN   2           HB2      GLN   2  -0.976   2.848   5.226
   13    HB3  GLN   2           HB3      GLN   2  -0.908   3.820   3.763
   14    HG2  GLN   2           HG2      GLN   2   0.609   1.916   3.630
   15    HG3  GLN   2           HG3      GLN   2   1.508   3.431   3.607
   16   HE21  GLN   2          HE21      GLN   2   0.871   0.540   5.321
   17   HE22  GLN   2          HE22      GLN   2   2.052   0.743   6.554
   18    H    SER   3           H        SER   3   2.442   5.109   5.256
   19    HA   SER   3           HA       SER   3   2.075   7.556   3.681
   20    HB2  SER   3           HB2      SER   3   4.247   7.014   5.700
   21    HB3  SER   3           HB3      SER   3   3.898   8.550   4.886
   22    H    HIS   4           H        HIS   4   4.389   8.155   2.778
   23    HA   HIS   4           HA       HIS   4   4.854   6.546   0.613
   24    HB2  HIS   4           HB2      HIS   4   5.574   8.901   0.848
   25    HB3  HIS   4           HB3      HIS   4   6.851   8.382   1.935
   26    HD1  HIS   4           HD1      HIS   4   9.027   7.761   0.874
   27    HD2  HIS   4           HD2      HIS   4   5.915   7.952  -1.857
   28    HE1  HIS   4           HE1      HIS   4  10.093   7.452  -1.384
   29    HE2  HIS   4           HE2      HIS   4   8.211   7.874  -3.005
   30    H    ALA   5           H        ALA   5   5.984   4.825   0.140
   31    HA   ALA   5           HA       ALA   5   7.360   3.096   0.152
   32    HB1  ALA   5           HB1      ALA   5   8.753   4.246   2.578
   33    HB2  ALA   5           HB2      ALA   5   9.175   4.612   0.908
   34    HB3  ALA   5           HB3      ALA   5   9.361   2.966   1.523
   35    H    GLY   6           H        GLY   6   5.104   3.702   2.359
   36    HA2  GLY   6           HA2      GLY   6   5.482   1.294   3.915
   37    HA3  GLY   6           HA3      GLY   6   4.186   2.474   4.091
   38    H    GLN   7           H        GLN   7   3.982  -0.385   3.928
   39    HA   GLN   7           HA       GLN   7   2.924  -1.031   1.343
   40    HB2  GLN   7           HB2      GLN   7   3.862  -2.785   2.787
   41    HB3  GLN   7           HB3      GLN   7   2.604  -2.490   3.973
   42    HG2  GLN   7           HG2      GLN   7   0.914  -3.237   2.480
   43    HG3  GLN   7           HG3      GLN   7   2.030  -3.427   1.144
   44   HE21  GLN   7          HE21      GLN   7   0.330  -5.431   2.217
   45   HE22  GLN   7          HE22      GLN   7   1.322  -6.673   2.872
   46    H    CYS   8           H        CYS   8   1.104  -0.275   0.629
   47    HA   CYS   8           HA       CYS   8  -0.847   0.802   2.480
   48    HB2  CYS   8           HB2      CYS   8  -1.984   1.569   0.397
   49    HB3  CYS   8           HB3      CYS   8  -0.357   2.197   0.635
   50    H    GLY   9           H        GLY   9  -0.860  -1.748  -0.011
   51    HA2  GLY   9           HA2      GLY   9  -2.877  -3.129   1.399
   52    HA3  GLY   9           HA3      GLY   9  -3.606  -2.098   0.177
   53    H    GLY  10           H        GLY  10  -1.855  -4.903   0.813
   54    HA2  GLY  10           HA2      GLY  10  -2.074  -5.616  -2.018
   55    HA3  GLY  10           HA3      GLY  10  -0.868  -6.311  -0.923
   56    H    ILE  11           H        ILE  11  -2.317  -8.181  -2.040
   57    HA   ILE  11           HA       ILE  11  -4.795  -8.753  -0.860
   58    HB   ILE  11           HB       ILE  11  -2.727 -10.733  -1.879
   59   HG12  ILE  11          HG12      ILE  11  -5.070  -9.480  -3.338
   60   HG13  ILE  11          HG13      ILE  11  -3.387  -9.013  -3.553
   61   HG21  ILE  11          HG21      ILE  11  -4.637 -12.255  -2.197
   62   HG22  ILE  11          HG22      ILE  11  -5.707 -11.057  -1.475
   63   HG23  ILE  11          HG23      ILE  11  -4.438 -11.806  -0.501
   64   HD11  ILE  11          HD11      ILE  11  -4.565 -11.713  -4.179
   65   HD12  ILE  11          HD12      ILE  11  -2.879 -11.247  -4.408
   66   HD13  ILE  11          HD13      ILE  11  -4.148 -10.464  -5.351
   67    H    GLY  12           H        GLY  12  -5.146  -8.927   1.247
   68    HA2  GLY  12           HA2      GLY  12  -5.110 -10.194   3.216
   69    HA3  GLY  12           HA3      GLY  12  -3.497 -10.755   2.812
   70    H    TYR  13           H        TYR  13  -4.384  -7.381   2.666
   71    HA   TYR  13           HA       TYR  13  -2.758  -6.942   5.079
   72    HB2  TYR  13           HB2      TYR  13  -1.727  -6.045   2.995
   73    HB3  TYR  13           HB3      TYR  13  -3.150  -5.049   2.739
   74    HD1  TYR  13           HD1      TYR  13  -3.284  -2.914   3.725
   75    HD2  TYR  13           HD2      TYR  13  -0.349  -5.653   5.081
   76    HE1  TYR  13           HE1      TYR  13  -2.255  -1.133   5.065
   77    HE2  TYR  13           HE2      TYR  13   0.691  -3.887   6.431
   78    HH   TYR  13           HH       TYR  13  -0.874  -0.874   6.960
   79    H    SER  14           H        SER  14  -4.005  -6.439   6.779
   80    HA   SER  14           HA       SER  14  -6.659  -5.333   6.320
   81    HB2  SER  14           HB2      SER  14  -6.958  -5.980   8.741
   82    HB3  SER  14           HB3      SER  14  -6.650  -7.314   7.629
   83    HG   SER  14           HG       SER  14  -5.318  -7.662   9.297
   84    H    GLY  15           H        GLY  15  -3.665  -4.150   7.002
   85    HA2  GLY  15           HA2      GLY  15  -4.300  -2.232   9.050
   86    HA3  GLY  15           HA3      GLY  15  -2.838  -2.277   8.075
   87    HA   PRO  16           HA       PRO  16  -5.259   1.536   6.791
   88    HB2  PRO  16           HB2      PRO  16  -2.958   3.004   6.405
   89    HB3  PRO  16           HB3      PRO  16  -3.871   2.989   7.917
   90    HG2  PRO  16           HG2      PRO  16  -1.416   1.454   7.171
   91    HG3  PRO  16           HG3      PRO  16  -1.813   2.235   8.708
   92    HD2  PRO  16           HD2      PRO  16  -2.034  -0.397   8.387
   93    HD3  PRO  16           HD3      PRO  16  -3.198   0.502   9.377
   94    H    THR  17           H        THR  17  -5.909   1.168   4.766
   95    HA   THR  17           HA       THR  17  -3.993   0.253   2.823
   96    HB   THR  17           HB       THR  17  -6.112  -0.081   1.436
   97    HG1  THR  17           HG1      THR  17  -7.830   0.655   2.307
   98   HG21  THR  17          HG21      THR  17  -6.640  -2.192   2.607
   99   HG22  THR  17          HG22      THR  17  -5.742  -1.618   4.017
  100   HG23  THR  17          HG23      THR  17  -4.901  -1.918   2.498
  101    H    VAL  18           H        VAL  18  -5.479   3.106   3.738
  102    HA   VAL  18           HA       VAL  18  -5.190   4.243   1.079
  103    HB   VAL  18           HB       VAL  18  -7.276   4.738   2.400
  104   HG11  VAL  18          HG11      VAL  18  -5.473   6.388   4.138
  105   HG12  VAL  18          HG12      VAL  18  -6.331   4.933   4.623
  106   HG13  VAL  18          HG13      VAL  18  -7.237   6.390   4.195
  107   HG21  VAL  18          HG21      VAL  18  -7.358   7.152   1.873
  108   HG22  VAL  18          HG22      VAL  18  -6.668   6.190   0.567
  109   HG23  VAL  18          HG23      VAL  18  -5.611   7.131   1.619
  110    H    CYS  19           H        CYS  19  -3.724   5.756   0.594
  111    HA   CYS  19           HA       CYS  19  -1.463   5.971   2.389
  112    HB2  CYS  19           HB2      CYS  19  -1.785   6.813  -0.507
  113    HB3  CYS  19           HB3      CYS  19  -0.299   6.860   0.429
  114    H    ALA  20           H        ALA  20  -0.526   7.963   2.846
  115    HA   ALA  20           HA       ALA  20  -2.181  10.088   3.536
  116    HB1  ALA  20           HB1      ALA  20  -0.100  11.363   3.849
  117    HB2  ALA  20           HB2      ALA  20   0.789  10.117   2.972
  118    HB3  ALA  20           HB3      ALA  20   0.024   9.736   4.519
  119    H    SER  21           H        SER  21  -2.775  11.930   2.500
  120    HA   SER  21           HA       SER  21  -3.169  11.871  -0.187
  121    HB2  SER  21           HB2      SER  21  -3.616  14.389   0.153
  122    HB3  SER  21           HB3      SER  21  -4.583  13.240   1.074
  123    HG   SER  21           HG       SER  21  -3.913  14.260   2.738
  124    H    GLY  22           H        GLY  22  -2.023  12.272  -1.921
  125    HA2  GLY  22           HA2      GLY  22  -0.425  13.641  -3.103
  126    HA3  GLY  22           HA3      GLY  22   0.527  13.707  -1.624
  127    H    THR  23           H        THR  23  -0.178  10.758  -1.199
  128    HA   THR  23           HA       THR  23   1.723   9.730  -3.170
  129    HB   THR  23           HB       THR  23   2.279   7.919  -1.543
  130    HG1  THR  23           HG1      THR  23   0.387   9.303   0.060
  131   HG21  THR  23          HG21      THR  23   3.685   9.909  -1.604
  132   HG22  THR  23          HG22      THR  23   3.570   9.283   0.042
  133   HG23  THR  23          HG23      THR  23   2.639  10.703  -0.429
  134    H    THR  24           H        THR  24   1.305   7.669  -4.072
  135    HA   THR  24           HA       THR  24  -1.550   7.047  -4.006
  136    HB   THR  24           HB       THR  24  -1.115   6.083  -6.325
  137    HG1  THR  24           HG1      THR  24   1.425   6.964  -5.703
  138   HG21  THR  24          HG21      THR  24  -1.220   8.276  -7.433
  139   HG22  THR  24          HG22      THR  24  -0.700   9.055  -5.938
  140   HG23  THR  24          HG23      THR  24  -2.259   8.231  -6.006
  141    H    CYS  25           H        CYS  25  -2.180   4.934  -3.814
  142    HA   CYS  25           HA       CYS  25  -0.238   3.117  -2.733
  143    HB2  CYS  25           HB2      CYS  25  -2.510   3.144  -1.791
  144    HB3  CYS  25           HB3      CYS  25  -3.178   2.720  -3.367
  145    H    GLN  26           H        GLN  26   1.152   2.427  -4.224
  146    HA   GLN  26           HA       GLN  26   0.065   1.639  -6.780
  147    HB2  GLN  26           HB2      GLN  26   2.918   2.030  -5.910
  148    HB3  GLN  26           HB3      GLN  26   2.418   1.526  -7.518
  149    HG2  GLN  26           HG2      GLN  26   1.129   3.633  -7.721
  150    HG3  GLN  26           HG3      GLN  26   1.801   4.138  -6.174
  151   HE21  GLN  26          HE21      GLN  26   2.793   5.888  -7.086
  152   HE22  GLN  26          HE22      GLN  26   4.210   5.756  -8.065
  153    H    VAL  27           H        VAL  27  -0.401  -0.301  -7.128
  154    HA   VAL  27           HA       VAL  27   0.395  -2.444  -5.406
  155    HB   VAL  27           HB       VAL  27  -0.980  -2.595  -8.113
  156   HG11  VAL  27          HG11      VAL  27  -0.058  -4.731  -7.399
  157   HG12  VAL  27          HG12      VAL  27  -1.817  -4.771  -7.331
  158   HG13  VAL  27          HG13      VAL  27  -0.885  -4.590  -5.848
  159   HG21  VAL  27          HG21      VAL  27  -2.261  -1.175  -6.595
  160   HG22  VAL  27          HG22      VAL  27  -2.226  -2.435  -5.363
  161   HG23  VAL  27          HG23      VAL  27  -3.102  -2.701  -6.870
  162    H    LEU  28           H        LEU  28   2.477  -2.907  -5.498
  163    HA   LEU  28           HA       LEU  28   3.912  -2.822  -8.004
  164    HB2  LEU  28           HB2      LEU  28   4.914  -3.675  -5.262
  165    HB3  LEU  28           HB3      LEU  28   5.906  -3.319  -6.648
  166    HG   LEU  28           HG       LEU  28   4.320  -1.373  -4.990
  167   HD11  LEU  28          HD11      LEU  28   7.276  -1.721  -5.400
  168   HD12  LEU  28          HD12      LEU  28   6.355  -2.120  -3.951
  169   HD13  LEU  28          HD13      LEU  28   6.513  -0.440  -4.461
  170   HD21  LEU  28          HD21      LEU  28   5.255   0.402  -6.392
  171   HD22  LEU  28          HD22      LEU  28   4.241  -0.685  -7.344
  172   HD23  LEU  28          HD23      LEU  28   6.000  -0.805  -7.438
  173    H    ASN  29           H        ASN  29   3.848  -5.183  -5.416
  174    HA   ASN  29           HA       ASN  29   3.822  -7.327  -7.376
  175    HB2  ASN  29           HB2      ASN  29   4.340  -7.391  -4.379
  176    HB3  ASN  29           HB3      ASN  29   4.462  -8.749  -5.489
  177   HD21  ASN  29          HD21      ASN  29   6.468  -7.533  -3.732
  178   HD22  ASN  29          HD22      ASN  29   7.784  -7.110  -4.763
  179    HA   PRO  30           HA       PRO  30  -0.438  -8.311  -6.508
  180    HB2  PRO  30           HB2      PRO  30   0.285 -10.998  -5.446
  181    HB3  PRO  30           HB3      PRO  30  -0.839 -10.572  -6.741
  182    HG2  PRO  30           HG2      PRO  30   1.526 -11.611  -7.332
  183    HG3  PRO  30           HG3      PRO  30   0.871 -10.283  -8.304
  184    HD2  PRO  30           HD2      PRO  30   2.971 -10.221  -6.180
  185    HD3  PRO  30           HD3      PRO  30   2.925  -9.372  -7.741
  186    H    TYR  31           H        TYR  31   1.737  -9.370  -3.904
  187    HA   TYR  31           HA       TYR  31  -0.434  -8.872  -1.996
  188    HB2  TYR  31           HB2      TYR  31   2.217 -10.245  -1.496
  189    HB3  TYR  31           HB3      TYR  31   0.888 -10.102  -0.361
  190    HD1  TYR  31           HD1      TYR  31   2.102 -11.811  -3.366
  191    HD2  TYR  31           HD2      TYR  31  -1.091 -11.486  -0.586
  192    HE1  TYR  31           HE1      TYR  31   1.179 -13.899  -4.211
  193    HE2  TYR  31           HE2      TYR  31  -2.042 -13.583  -1.426
  194    HH   TYR  31           HH       TYR  31  -1.979 -14.992  -3.320
  195    H    TYR  32           H        TYR  32   2.604  -7.655  -3.073
  196    HA   TYR  32           HA       TYR  32   2.644  -5.856  -0.772
  197    HB2  TYR  32           HB2      TYR  32   4.734  -7.111  -1.128
  198    HB3  TYR  32           HB3      TYR  32   4.890  -6.384  -2.723
  199    HD1  TYR  32           HD1      TYR  32   4.517  -5.433   0.847
  200    HD2  TYR  32           HD2      TYR  32   6.149  -4.417  -2.955
  201    HE1  TYR  32           HE1      TYR  32   5.698  -3.541   1.864
  202    HE2  TYR  32           HE2      TYR  32   7.337  -2.524  -1.934
  203    HH   TYR  32           HH       TYR  32   7.584  -2.181   1.467
  204    H    SER  33           H        SER  33   1.708  -4.009  -1.064
  205    HA   SER  33           HA       SER  33   2.091  -2.573  -3.592
  206    HB2  SER  33           HB2      SER  33  -0.240  -2.419  -1.669
  207    HB3  SER  33           HB3      SER  33  -0.116  -1.533  -3.185
  208    HG   SER  33           HG       SER  33  -1.314  -3.686  -2.991
  209    H    GLN  34           H        GLN  34   2.527  -0.274  -3.290
  210    HA   GLN  34           HA       GLN  34   3.313   0.393  -0.544
  211    HB2  GLN  34           HB2      GLN  34   5.239  -0.582  -1.726
  212    HB3  GLN  34           HB3      GLN  34   5.067   0.625  -2.985
  213    HG2  GLN  34           HG2      GLN  34   5.563   2.376  -1.364
  214    HG3  GLN  34           HG3      GLN  34   5.745   1.156  -0.108
  215   HE21  GLN  34          HE21      GLN  34   7.551  -0.193  -0.152
  216   HE22  GLN  34          HE22      GLN  34   8.930   0.206  -1.104
  217    H    CYS  35           H        CYS  35   3.125   2.529  -0.030
  218    HA   CYS  35           HA       CYS  35   1.688   4.263  -1.811
  219    HB2  CYS  35           HB2      CYS  35   2.933   4.835   0.884
  220    HB3  CYS  35           HB3      CYS  35   1.865   5.923   0.008
  221    H    LEU  36           H        LEU  36   2.620   5.290  -3.375
  222    HA   LEU  36           HA       LEU  36   5.245   6.467  -2.970
  223    HB2  LEU  36           HB2      LEU  36   4.258   4.987  -5.404
  224    HB3  LEU  36           HB3      LEU  36   5.713   5.963  -5.371
  225    HG   LEU  36           HG       LEU  36   5.277   3.531  -3.638
  226   HD11  LEU  36          HD11      LEU  36   6.862   3.834  -6.183
  227   HD12  LEU  36          HD12      LEU  36   5.371   2.913  -6.002
  228   HD13  LEU  36          HD13      LEU  36   6.832   2.404  -5.153
  229   HD21  LEU  36          HD21      LEU  36   6.832   5.146  -2.690
  230   HD22  LEU  36          HD22      LEU  36   7.720   5.211  -4.209
  231   HD23  LEU  36          HD23      LEU  36   7.693   3.721  -3.268
  232    H1   MAN 101           H1       MAN 101   3.885   8.215   7.773
  233    H2   MAN 101           H2       MAN 101   1.643   7.619   8.648
  234    H3   MAN 101           H3       MAN 101   0.301   8.868   7.049
  235    H4   MAN 101           H4       MAN 101   1.423  11.325   8.456
  236    H5   MAN 101           H5       MAN 101   1.722  10.278   5.602
  237    H61  MAN 101           H61      MAN 101   1.750  12.763   5.786
  238    H62  MAN 101           H62      MAN 101   3.295  12.087   5.222
  239    HO2  MAN 101           HO2      MAN 101   3.174   8.839   9.866
  240    HO3  MAN 101           HO3      MAN 101   0.075   9.864   9.712
  241    HO4  MAN 101           HO4      MAN 101  -0.771  11.385   7.804
  242    HO6  MAN 101           HO6      MAN 101   3.440  13.735   6.941
  Start of MODEL    5
    1    H1   THR   1           H1       THR   1  -3.815   6.720   9.210
    2    H2   THR   1           H2       THR   1  -2.146   7.005   9.247
    3    H3   THR   1           H3       THR   1  -2.699   5.439   9.099
    4    HA   THR   1           HA       THR   1  -3.625   5.988   6.932
    5    HB   THR   1           HB       THR   1  -2.281   8.673   7.425
    6    HG1  THR   1           HG1      THR   1  -4.413   9.461   7.568
    7   HG21  THR   1          HG21      THR   1  -3.410   9.340   5.350
    8   HG22  THR   1          HG22      THR   1  -4.079   7.722   5.181
    9   HG23  THR   1          HG23      THR   1  -2.335   7.972   5.058
   10    H    GLN   2           H        GLN   2  -2.260   5.199   5.288
   11    HA   GLN   2           HA       GLN   2   0.363   4.513   6.214
   12    HB2  GLN   2           HB2      GLN   2  -1.181   2.959   4.926
   13    HB3  GLN   2           HB3      GLN   2  -0.864   3.950   3.508
   14    HG2  GLN   2           HG2      GLN   2   0.522   1.933   3.554
   15    HG3  GLN   2           HG3      GLN   2   1.497   3.402   3.614
   16   HE21  GLN   2          HE21      GLN   2   0.390   0.662   5.361
   17   HE22  GLN   2          HE22      GLN   2   1.440   0.818   6.722
   18    H    SER   3           H        SER   3   2.297   5.030   5.100
   19    HA   SER   3           HA       SER   3   2.117   7.550   3.603
   20    HB2  SER   3           HB2      SER   3   4.244   6.787   5.599
   21    HB3  SER   3           HB3      SER   3   4.036   8.354   4.807
   22    H    HIS   4           H        HIS   4   4.468   7.957   2.663
   23    HA   HIS   4           HA       HIS   4   4.974   6.108   0.638
   24    HB2  HIS   4           HB2      HIS   4   5.683   8.517   0.629
   25    HB3  HIS   4           HB3      HIS   4   6.916   8.124   1.809
   26    HD1  HIS   4           HD1      HIS   4   9.151   7.747   0.819
   27    HD2  HIS   4           HD2      HIS   4   6.120   6.948  -1.896
   28    HE1  HIS   4           HE1      HIS   4  10.310   7.139  -1.306
   29    HE2  HIS   4           HE2      HIS   4   8.469   7.068  -2.978
   30    H    ALA   5           H        ALA   5   6.499   4.485   0.334
   31    HA   ALA   5           HA       ALA   5   7.856   2.786   0.765
   32    HB1  ALA   5           HB1      ALA   5   9.468   4.444   1.672
   33    HB2  ALA   5           HB2      ALA   5   9.569   2.892   2.506
   34    HB3  ALA   5           HB3      ALA   5   8.735   4.246   3.266
   35    H    GLY   6           H        GLY   6   5.158   3.335   2.185
   36    HA2  GLY   6           HA2      GLY   6   5.327   1.076   4.027
   37    HA3  GLY   6           HA3      GLY   6   4.109   2.350   4.076
   38    H    GLN   7           H        GLN   7   3.886  -0.563   3.874
   39    HA   GLN   7           HA       GLN   7   2.847  -1.067   1.255
   40    HB2  GLN   7           HB2      GLN   7   3.874  -2.883   2.530
   41    HB3  GLN   7           HB3      GLN   7   2.683  -2.674   3.806
   42    HG2  GLN   7           HG2      GLN   7   0.923  -3.407   2.360
   43    HG3  GLN   7           HG3      GLN   7   2.003  -3.505   0.978
   44   HE21  GLN   7          HE21      GLN   7   0.388  -5.594   2.170
   45   HE22  GLN   7          HE22      GLN   7   1.464  -6.832   2.637
   46    H    CYS   8           H        CYS   8   1.008  -0.338   0.649
   47    HA   CYS   8           HA       CYS   8  -0.890   0.674   2.581
   48    HB2  CYS   8           HB2      CYS   8  -2.030   1.501   0.503
   49    HB3  CYS   8           HB3      CYS   8  -0.410   2.130   0.810
   50    H    GLY   9           H        GLY   9  -0.902  -1.784  -0.006
   51    HA2  GLY   9           HA2      GLY   9  -3.027  -3.158   1.314
   52    HA3  GLY   9           HA3      GLY   9  -3.603  -2.162  -0.016
   53    H    GLY  10           H        GLY  10  -1.757  -4.907   0.875
   54    HA2  GLY  10           HA2      GLY  10  -1.829  -5.798  -1.914
   55    HA3  GLY  10           HA3      GLY  10  -0.636  -6.337  -0.723
   56    H    ILE  11           H        ILE  11  -1.901  -8.354  -1.817
   57    HA   ILE  11           HA       ILE  11  -4.381  -9.077  -0.764
   58    HB   ILE  11           HB       ILE  11  -2.105 -10.881  -1.638
   59   HG12  ILE  11          HG12      ILE  11  -4.596  -9.993  -3.108
   60   HG13  ILE  11          HG13      ILE  11  -2.993  -9.306  -3.351
   61   HG21  ILE  11          HG21      ILE  11  -3.667 -12.116  -0.208
   62   HG22  ILE  11          HG22      ILE  11  -3.808 -12.642  -1.885
   63   HG23  ILE  11          HG23      ILE  11  -5.021 -11.562  -1.194
   64   HD11  ILE  11          HD11      ILE  11  -3.800 -12.155  -3.879
   65   HD12  ILE  11          HD12      ILE  11  -2.195 -11.466  -4.147
   66   HD13  ILE  11          HD13      ILE  11  -3.572 -10.893  -5.089
   67    H    GLY  12           H        GLY  12  -4.929  -9.221   1.243
   68    HA2  GLY  12           HA2      GLY  12  -5.050 -10.390   3.256
   69    HA3  GLY  12           HA3      GLY  12  -3.375 -10.878   3.056
   70    H    TYR  13           H        TYR  13  -3.894  -7.584   2.437
   71    HA   TYR  13           HA       TYR  13  -2.679  -6.978   5.016
   72    HB2  TYR  13           HB2      TYR  13  -1.598  -6.130   2.904
   73    HB3  TYR  13           HB3      TYR  13  -3.017  -5.122   2.645
   74    HD1  TYR  13           HD1      TYR  13  -0.171  -5.737   4.918
   75    HD2  TYR  13           HD2      TYR  13  -3.242  -3.034   3.772
   76    HE1  TYR  13           HE1      TYR  13   0.838  -4.005   6.321
   77    HE2  TYR  13           HE2      TYR  13  -2.231  -1.291   5.178
   78    HH   TYR  13           HH       TYR  13   0.851  -1.506   6.380
   79    H    SER  14           H        SER  14  -4.042  -6.459   6.621
   80    HA   SER  14           HA       SER  14  -6.599  -5.201   5.970
   81    HB2  SER  14           HB2      SER  14  -7.118  -6.062   8.310
   82    HB3  SER  14           HB3      SER  14  -6.870  -7.268   7.037
   83    HG   SER  14           HG       SER  14  -5.469  -8.036   8.323
   84    H    GLY  15           H        GLY  15  -3.929  -3.900   6.384
   85    HA2  GLY  15           HA2      GLY  15  -4.397  -2.345   8.828
   86    HA3  GLY  15           HA3      GLY  15  -2.936  -2.314   7.839
   87    HA   PRO  16           HA       PRO  16  -5.268   1.496   6.752
   88    HB2  PRO  16           HB2      PRO  16  -3.066   3.088   6.497
   89    HB3  PRO  16           HB3      PRO  16  -3.882   2.823   8.040
   90    HG2  PRO  16           HG2      PRO  16  -1.391   1.566   6.976
   91    HG3  PRO  16           HG3      PRO  16  -1.763   2.086   8.625
   92    HD2  PRO  16           HD2      PRO  16  -1.864  -0.505   7.808
   93    HD3  PRO  16           HD3      PRO  16  -2.855   0.141   9.126
   94    H    THR  17           H        THR  17  -5.928   1.083   4.760
   95    HA   THR  17           HA       THR  17  -4.071   0.434   2.668
   96    HB   THR  17           HB       THR  17  -6.279   0.245   1.335
   97    HG1  THR  17           HG1      THR  17  -8.121   0.295   2.464
   98   HG21  THR  17          HG21      THR  17  -5.017  -1.705   2.143
   99   HG22  THR  17          HG22      THR  17  -6.751  -1.974   2.309
  100   HG23  THR  17          HG23      THR  17  -5.785  -1.550   3.724
  101    H    VAL  18           H        VAL  18  -5.655   3.195   3.836
  102    HA   VAL  18           HA       VAL  18  -5.479   4.581   1.303
  103    HB   VAL  18           HB       VAL  18  -7.436   5.038   2.744
  104   HG11  VAL  18          HG11      VAL  18  -6.460   4.804   4.943
  105   HG12  VAL  18          HG12      VAL  18  -7.241   6.378   4.794
  106   HG13  VAL  18          HG13      VAL  18  -5.486   6.249   4.682
  107   HG21  VAL  18          HG21      VAL  18  -7.397   7.505   2.642
  108   HG22  VAL  18          HG22      VAL  18  -6.769   6.758   1.169
  109   HG23  VAL  18          HG23      VAL  18  -5.658   7.446   2.353
  110    H    CYS  19           H        CYS  19  -3.898   5.859   0.694
  111    HA   CYS  19           HA       CYS  19  -1.582   6.124   2.428
  112    HB2  CYS  19           HB2      CYS  19  -1.952   6.728  -0.501
  113    HB3  CYS  19           HB3      CYS  19  -0.431   6.832   0.378
  114    H    ALA  20           H        ALA  20  -0.617   8.035   2.897
  115    HA   ALA  20           HA       ALA  20  -2.165  10.284   3.403
  116    HB1  ALA  20           HB1      ALA  20  -0.052  11.398   3.940
  117    HB2  ALA  20           HB2      ALA  20   0.836  10.099   3.144
  118    HB3  ALA  20           HB3      ALA  20  -0.095   9.765   4.607
  119    H    SER  21           H        SER  21  -2.251  12.288   2.447
  120    HA   SER  21           HA       SER  21  -2.569  12.397  -0.285
  121    HB2  SER  21           HB2      SER  21  -3.519  13.961   1.482
  122    HB3  SER  21           HB3      SER  21  -1.947  14.759   1.489
  123    HG   SER  21           HG       SER  21  -3.867  14.579  -0.510
  124    H    GLY  22           H        GLY  22  -1.219  12.647  -1.941
  125    HA2  GLY  22           HA2      GLY  22   0.730  13.699  -2.916
  126    HA3  GLY  22           HA3      GLY  22   1.544  13.474  -1.370
  127    H    THR  23           H        THR  23   0.112  10.766  -1.242
  128    HA   THR  23           HA       THR  23   1.742   9.371  -3.224
  129    HB   THR  23           HB       THR  23   2.075   7.528  -1.573
  130    HG1  THR  23           HG1      THR  23   0.647   9.287   0.083
  131   HG21  THR  23          HG21      THR  23   3.875   9.125  -1.937
  132   HG22  THR  23          HG22      THR  23   3.827   8.618  -0.247
  133   HG23  THR  23          HG23      THR  23   3.184  10.193  -0.714
  134    H    THR  24           H        THR  24   0.854   7.508  -4.083
  135    HA   THR  24           HA       THR  24  -1.947   7.010  -3.394
  136    HB   THR  24           HB       THR  24  -2.094   6.250  -5.841
  137    HG1  THR  24           HG1      THR  24   0.516   7.137  -5.772
  138   HG21  THR  24          HG21      THR  24  -2.484   8.535  -6.678
  139   HG22  THR  24          HG22      THR  24  -1.642   9.191  -5.273
  140   HG23  THR  24          HG23      THR  24  -3.160   8.313  -5.065
  141    H    CYS  25           H        CYS  25  -2.524   4.823  -3.212
  142    HA   CYS  25           HA       CYS  25  -0.420   3.004  -2.703
  143    HB2  CYS  25           HB2      CYS  25  -2.624   2.877  -1.577
  144    HB3  CYS  25           HB3      CYS  25  -3.369   2.448  -3.119
  145    H    GLN  26           H        GLN  26   0.829   2.380  -4.329
  146    HA   GLN  26           HA       GLN  26  -0.489   1.603  -6.813
  147    HB2  GLN  26           HB2      GLN  26   2.425   2.291  -6.360
  148    HB3  GLN  26           HB3      GLN  26   1.697   1.884  -7.906
  149    HG2  GLN  26           HG2      GLN  26   0.233   3.895  -7.665
  150    HG3  GLN  26           HG3      GLN  26   1.148   4.319  -6.224
  151   HE21  GLN  26          HE21      GLN  26   1.931   6.226  -7.058
  152   HE22  GLN  26          HE22      GLN  26   3.068   6.306  -8.343
  153    H    VAL  27           H        VAL  27  -0.704  -0.429  -7.117
  154    HA   VAL  27           HA       VAL  27   0.470  -2.358  -5.372
  155    HB   VAL  27           HB       VAL  27  -1.168  -2.779  -7.893
  156   HG11  VAL  27          HG11      VAL  27  -1.702  -4.975  -6.958
  157   HG12  VAL  27          HG12      VAL  27  -0.615  -4.654  -5.604
  158   HG13  VAL  27          HG13      VAL  27   0.032  -4.785  -7.238
  159   HG21  VAL  27          HG21      VAL  27  -3.092  -3.053  -6.394
  160   HG22  VAL  27          HG22      VAL  27  -2.408  -1.432  -6.296
  161   HG23  VAL  27          HG23      VAL  27  -2.082  -2.603  -5.021
  162    H    LEU  28           H        LEU  28   2.393  -3.204  -5.660
  163    HA   LEU  28           HA       LEU  28   3.636  -3.019  -8.302
  164    HB2  LEU  28           HB2      LEU  28   4.895  -3.609  -5.609
  165    HB3  LEU  28           HB3      LEU  28   5.764  -3.364  -7.107
  166    HG   LEU  28           HG       LEU  28   4.177  -1.276  -5.605
  167   HD11  LEU  28          HD11      LEU  28   6.354  -0.236  -5.221
  168   HD12  LEU  28          HD12      LEU  28   7.135  -1.631  -5.972
  169   HD13  LEU  28          HD13      LEU  28   6.223  -1.830  -4.481
  170   HD21  LEU  28          HD21      LEU  28   5.098   0.323  -7.224
  171   HD22  LEU  28          HD22      LEU  28   4.070  -0.872  -8.011
  172   HD23  LEU  28          HD23      LEU  28   5.825  -1.009  -8.122
  173    H    ASN  29           H        ASN  29   3.849  -5.181  -5.547
  174    HA   ASN  29           HA       ASN  29   3.644  -7.525  -7.301
  175    HB2  ASN  29           HB2      ASN  29   4.344  -7.269  -4.356
  176    HB3  ASN  29           HB3      ASN  29   4.235  -8.792  -5.217
  177   HD21  ASN  29          HD21      ASN  29   6.427  -7.704  -3.792
  178   HD22  ASN  29          HD22      ASN  29   7.745  -7.508  -4.890
  179    HA   PRO  30           HA       PRO  30  -0.552  -8.193  -5.989
  180    HB2  PRO  30           HB2      PRO  30   0.108 -10.915  -4.984
  181    HB3  PRO  30           HB3      PRO  30  -1.084 -10.426  -6.191
  182    HG2  PRO  30           HG2      PRO  30   1.142 -11.625  -6.945
  183    HG3  PRO  30           HG3      PRO  30   0.504 -10.261  -7.881
  184    HD2  PRO  30           HD2      PRO  30   2.746 -10.295  -5.886
  185    HD3  PRO  30           HD3      PRO  30   2.679  -9.504  -7.477
  186    H    TYR  31           H        TYR  31   1.985  -9.043  -3.714
  187    HA   TYR  31           HA       TYR  31   0.075  -8.636  -1.515
  188    HB2  TYR  31           HB2      TYR  31   2.864  -9.802  -1.372
  189    HB3  TYR  31           HB3      TYR  31   1.690  -9.728  -0.065
  190    HD1  TYR  31           HD1      TYR  31  -0.079 -11.366   0.096
  191    HD2  TYR  31           HD2      TYR  31   2.525 -11.332  -3.262
  192    HE1  TYR  31           HE1      TYR  31  -0.912 -13.591  -0.578
  193    HE2  TYR  31           HE2      TYR  31   1.715 -13.532  -3.934
  194    HH   TYR  31           HH       TYR  31   0.676 -15.427  -2.987
  195    H    TYR  32           H        TYR  32   2.934  -7.311  -3.027
  196    HA   TYR  32           HA       TYR  32   3.037  -5.386  -0.847
  197    HB2  TYR  32           HB2      TYR  32   5.190  -6.500  -1.244
  198    HB3  TYR  32           HB3      TYR  32   5.195  -5.909  -2.903
  199    HD1  TYR  32           HD1      TYR  32   4.936  -4.630   0.593
  200    HD2  TYR  32           HD2      TYR  32   6.343  -3.936  -3.363
  201    HE1  TYR  32           HE1      TYR  32   6.044  -2.574   1.355
  202    HE2  TYR  32           HE2      TYR  32   7.452  -1.874  -2.604
  203    HH   TYR  32           HH       TYR  32   7.917  -1.143   0.652
  204    H    SER  33           H        SER  33   2.013  -3.660  -1.136
  205    HA   SER  33           HA       SER  33   2.095  -2.296  -3.724
  206    HB2  SER  33           HB2      SER  33  -0.191  -2.323  -1.703
  207    HB3  SER  33           HB3      SER  33  -0.189  -1.528  -3.281
  208    HG   SER  33           HG       SER  33  -1.196  -3.724  -2.982
  209    H    GLN  34           H        GLN  34   2.719  -0.118  -3.474
  210    HA   GLN  34           HA       GLN  34   3.279   0.658  -0.686
  211    HB2  GLN  34           HB2      GLN  34   5.357   0.001  -1.877
  212    HB3  GLN  34           HB3      GLN  34   5.035   1.234  -3.089
  213    HG2  GLN  34           HG2      GLN  34   5.093   2.930  -1.237
  214    HG3  GLN  34           HG3      GLN  34   5.664   1.653  -0.175
  215   HE21  GLN  34          HE21      GLN  34   7.277   0.441  -2.282
  216   HE22  GLN  34          HE22      GLN  34   8.638   1.458  -2.523
  217    H    CYS  35           H        CYS  35   2.941   2.765  -0.165
  218    HA   CYS  35           HA       CYS  35   1.336   4.376  -1.872
  219    HB2  CYS  35           HB2      CYS  35   2.800   5.082   0.679
  220    HB3  CYS  35           HB3      CYS  35   1.569   6.073  -0.096
  221    H    LEU  36           H        LEU  36   2.187   5.132  -3.636
  222    HA   LEU  36           HA       LEU  36   4.803   6.423  -3.565
  223    HB2  LEU  36           HB2      LEU  36   3.505   4.792  -5.742
  224    HB3  LEU  36           HB3      LEU  36   4.938   5.764  -5.977
  225    HG   LEU  36           HG       LEU  36   4.789   3.443  -4.055
  226   HD11  LEU  36          HD11      LEU  36   4.487   2.690  -6.357
  227   HD12  LEU  36          HD12      LEU  36   6.070   2.223  -5.736
  228   HD13  LEU  36          HD13      LEU  36   5.924   3.587  -6.847
  229   HD21  LEU  36          HD21      LEU  36   7.088   5.067  -5.140
  230   HD22  LEU  36          HD22      LEU  36   7.235   3.638  -4.118
  231   HD23  LEU  36          HD23      LEU  36   6.473   5.096  -3.484
  232    H1   MAN 101           H1       MAN 101   4.129   7.921   7.659
  233    H2   MAN 101           H2       MAN 101   1.875   7.804   8.769
  234    H3   MAN 101           H3       MAN 101   0.635   9.330   7.312
  235    H4   MAN 101           H4       MAN 101   2.446  11.473   8.498
  236    H5   MAN 101           H5       MAN 101   2.268  10.351   5.644
  237    H61  MAN 101           H61      MAN 101   4.270  11.718   5.238
  238    H62  MAN 101           H62      MAN 101   4.157  12.430   6.865
  239    HO2  MAN 101           HO2      MAN 101   3.706   8.633   9.859
  240    HO3  MAN 101           HO3      MAN 101   1.093  10.352   9.936
  241    HO4  MAN 101           HO4      MAN 101   0.312  11.999   8.123
  242    HO6  MAN 101           HO6      MAN 101   1.897  12.984   6.110
  Start of MODEL    6
    1    H1   THR   1           H1       THR   1  -3.684   7.588   8.587
    2    H2   THR   1           H2       THR   1  -2.039   7.920   8.540
    3    H3   THR   1           H3       THR   1  -2.548   6.373   8.938
    4    HA   THR   1           HA       THR   1  -3.387   6.112   6.695
    5    HB   THR   1           HB       THR   1  -2.575   7.889   5.072
    6    HG1  THR   1           HG1      THR   1  -2.574   9.970   6.733
    7   HG21  THR   1          HG21      THR   1  -4.948   7.742   5.727
    8   HG22  THR   1          HG22      THR   1  -4.457   9.415   5.502
    9   HG23  THR   1          HG23      THR   1  -4.619   8.756   7.130
   10    H    GLN   2           H        GLN   2  -1.828   5.444   4.973
   11    HA   GLN   2           HA       GLN   2   0.676   4.715   6.212
   12    HB2  GLN   2           HB2      GLN   2  -0.692   3.131   4.809
   13    HB3  GLN   2           HB3      GLN   2  -0.310   4.119   3.411
   14    HG2  GLN   2           HG2      GLN   2   1.115   2.167   3.477
   15    HG3  GLN   2           HG3      GLN   2   2.086   3.614   3.730
   16   HE21  GLN   2          HE21      GLN   2   0.827   0.739   5.149
   17   HE22  GLN   2          HE22      GLN   2   1.746   0.774   6.598
   18    H    SER   3           H        SER   3   2.649   5.566   5.737
   19    HA   SER   3           HA       SER   3   2.690   8.097   4.380
   20    HB2  SER   3           HB2      SER   3   4.952   6.526   5.605
   21    HB3  SER   3           HB3      SER   3   5.008   8.203   5.081
   22    H    HIS   4           H        HIS   4   4.795   8.469   3.008
   23    HA   HIS   4           HA       HIS   4   4.688   6.951   0.643
   24    HB2  HIS   4           HB2      HIS   4   5.500   9.304   0.751
   25    HB3  HIS   4           HB3      HIS   4   6.874   8.767   1.703
   26    HD1  HIS   4           HD1      HIS   4   8.909   7.995   0.439
   27    HD2  HIS   4           HD2      HIS   4   5.585   8.441  -2.008
   28    HE1  HIS   4           HE1      HIS   4   9.755   7.715  -1.884
   29    HE2  HIS   4           HE2      HIS   4   7.785   8.296  -3.340
   30    H    ALA   5           H        ALA   5   5.757   5.180   0.066
   31    HA   ALA   5           HA       ALA   5   6.916   3.311   0.144
   32    HB1  ALA   5           HB1      ALA   5   8.916   4.750   0.134
   33    HB2  ALA   5           HB2      ALA   5   9.192   3.261   1.043
   34    HB3  ALA   5           HB3      ALA   5   8.896   4.779   1.896
   35    H    GLY   6           H        GLY   6   5.103   2.526   1.178
   36    HA2  GLY   6           HA2      GLY   6   5.761   1.011   3.478
   37    HA3  GLY   6           HA3      GLY   6   4.524   2.242   3.775
   38    H    GLN   7           H        GLN   7   4.164  -0.648   3.764
   39    HA   GLN   7           HA       GLN   7   2.871  -1.249   1.280
   40    HB2  GLN   7           HB2      GLN   7   4.009  -3.004   2.626
   41    HB3  GLN   7           HB3      GLN   7   2.784  -2.803   3.870
   42    HG2  GLN   7           HG2      GLN   7   1.075  -3.622   2.422
   43    HG3  GLN   7           HG3      GLN   7   2.153  -3.653   1.035
   44   HE21  GLN   7          HE21      GLN   7   0.654  -5.892   2.102
   45   HE22  GLN   7          HE22      GLN   7   1.810  -7.045   2.605
   46    H    CYS   8           H        CYS   8   1.081  -0.426   0.768
   47    HA   CYS   8           HA       CYS   8  -0.760   0.630   2.728
   48    HB2  CYS   8           HB2      CYS   8  -1.971   1.333   0.587
   49    HB3  CYS   8           HB3      CYS   8  -0.414   2.074   0.952
   50    H    GLY   9           H        GLY   9  -0.815  -1.938   0.260
   51    HA2  GLY   9           HA2      GLY   9  -2.622  -3.476   1.668
   52    HA3  GLY   9           HA3      GLY   9  -3.564  -2.367   0.687
   53    H    GLY  10           H        GLY  10  -1.702  -5.197   0.744
   54    HA2  GLY  10           HA2      GLY  10  -2.200  -5.548  -2.114
   55    HA3  GLY  10           HA3      GLY  10  -0.915  -6.357  -1.210
   56    H    ILE  11           H        ILE  11  -1.977  -8.337  -2.010
   57    HA   ILE  11           HA       ILE  11  -4.544  -9.056  -1.107
   58    HB   ILE  11           HB       ILE  11  -2.215 -10.853  -1.857
   59   HG12  ILE  11          HG12      ILE  11  -4.632  -9.973  -3.456
   60   HG13  ILE  11          HG13      ILE  11  -2.999  -9.347  -3.653
   61   HG21  ILE  11          HG21      ILE  11  -5.134 -11.538  -1.503
   62   HG22  ILE  11          HG22      ILE  11  -3.801 -12.087  -0.487
   63   HG23  ILE  11          HG23      ILE  11  -3.911 -12.619  -2.167
   64   HD11  ILE  11          HD11      ILE  11  -3.522 -10.961  -5.376
   65   HD12  ILE  11          HD12      ILE  11  -3.895 -12.178  -4.156
   66   HD13  ILE  11          HD13      ILE  11  -2.244 -11.576  -4.327
   67    H    GLY  12           H        GLY  12  -5.091  -9.050   0.966
   68    HA2  GLY  12           HA2      GLY  12  -5.255 -10.270   2.982
   69    HA3  GLY  12           HA3      GLY  12  -3.603 -10.809   2.744
   70    H    TYR  13           H        TYR  13  -4.208  -7.449   2.332
   71    HA   TYR  13           HA       TYR  13  -3.044  -6.990   4.990
   72    HB2  TYR  13           HB2      TYR  13  -1.555  -6.357   3.088
   73    HB3  TYR  13           HB3      TYR  13  -2.776  -5.204   2.561
   74    HD1  TYR  13           HD1      TYR  13  -0.195  -5.980   5.030
   75    HD2  TYR  13           HD2      TYR  13  -3.079  -3.108   3.816
   76    HE1  TYR  13           HE1      TYR  13   0.854  -4.315   6.501
   77    HE2  TYR  13           HE2      TYR  13  -2.039  -1.436   5.275
   78    HH   TYR  13           HH       TYR  13   0.983  -1.779   6.613
   79    H    SER  14           H        SER  14  -4.554  -6.286   6.348
   80    HA   SER  14           HA       SER  14  -6.739  -4.655   5.298
   81    HB2  SER  14           HB2      SER  14  -7.831  -5.472   7.459
   82    HB3  SER  14           HB3      SER  14  -7.552  -6.660   6.179
   83    HG   SER  14           HG       SER  14  -6.221  -6.337   8.637
   84    H    GLY  15           H        GLY  15  -3.980  -3.899   6.307
   85    HA2  GLY  15           HA2      GLY  15  -4.480  -2.368   8.704
   86    HA3  GLY  15           HA3      GLY  15  -2.981  -2.398   7.781
   87    HA   PRO  16           HA       PRO  16  -4.860   1.706   6.921
   88    HB2  PRO  16           HB2      PRO  16  -2.464   2.988   6.519
   89    HB3  PRO  16           HB3      PRO  16  -3.244   2.843   8.097
   90    HG2  PRO  16           HG2      PRO  16  -1.001   1.251   6.941
   91    HG3  PRO  16           HG3      PRO  16  -1.239   1.811   8.604
   92    HD2  PRO  16           HD2      PRO  16  -1.721  -0.742   7.814
   93    HD3  PRO  16           HD3      PRO  16  -2.614   0.041   9.131
   94    H    THR  17           H        THR  17  -5.720   1.004   4.993
   95    HA   THR  17           HA       THR  17  -4.070   0.481   2.716
   96    HB   THR  17           HB       THR  17  -6.376   0.231   1.622
   97    HG1  THR  17           HG1      THR  17  -7.810  -0.187   3.747
   98   HG21  THR  17          HG21      THR  17  -5.725  -1.439   4.064
   99   HG22  THR  17          HG22      THR  17  -5.063  -1.686   2.451
  100   HG23  THR  17          HG23      THR  17  -6.789  -1.922   2.746
  101    H    VAL  18           H        VAL  18  -5.423   3.123   4.148
  102    HA   VAL  18           HA       VAL  18  -5.563   4.693   1.726
  103    HB   VAL  18           HB       VAL  18  -7.406   5.054   3.245
  104   HG11  VAL  18          HG11      VAL  18  -5.372   5.745   5.350
  105   HG12  VAL  18          HG12      VAL  18  -6.458   4.357   5.339
  106   HG13  VAL  18          HG13      VAL  18  -7.110   5.986   5.510
  107   HG21  VAL  18          HG21      VAL  18  -5.531   7.418   3.313
  108   HG22  VAL  18          HG22      VAL  18  -7.267   7.485   3.628
  109   HG23  VAL  18          HG23      VAL  18  -6.678   7.025   2.032
  110    H    CYS  19           H        CYS  19  -3.902   5.793   1.034
  111    HA   CYS  19           HA       CYS  19  -1.520   6.073   2.646
  112    HB2  CYS  19           HB2      CYS  19  -2.076   6.917  -0.210
  113    HB3  CYS  19           HB3      CYS  19  -0.504   6.911   0.571
  114    H    ALA  20           H        ALA  20  -0.535   8.110   3.029
  115    HA   ALA  20           HA       ALA  20  -2.358  10.169   3.695
  116    HB1  ALA  20           HB1      ALA  20  -0.269   9.781   4.948
  117    HB2  ALA  20           HB2      ALA  20  -0.431  11.450   4.410
  118    HB3  ALA  20           HB3      ALA  20   0.653  10.357   3.558
  119    H    SER  21           H        SER  21  -2.055  12.439   3.018
  120    HA   SER  21           HA       SER  21  -2.934  12.871   0.501
  121    HB2  SER  21           HB2      SER  21  -1.381  14.771   2.247
  122    HB3  SER  21           HB3      SER  21  -2.472  15.229   0.939
  123    HG   SER  21           HG       SER  21  -4.099  14.899   2.178
  124    H    GLY  22           H        GLY  22  -2.002  12.492  -1.416
  125    HA2  GLY  22           HA2      GLY  22  -0.563  13.476  -3.051
  126    HA3  GLY  22           HA3      GLY  22   0.694  13.553  -1.829
  127    H    THR  23           H        THR  23  -0.220  10.735  -1.031
  128    HA   THR  23           HA       THR  23   1.392   9.476  -3.122
  129    HB   THR  23           HB       THR  23   1.870   7.690  -1.373
  130    HG1  THR  23           HG1      THR  23   0.179   9.243   0.072
  131   HG21  THR  23          HG21      THR  23   3.638   9.023  -0.316
  132   HG22  THR  23          HG22      THR  23   2.849  10.501  -0.868
  133   HG23  THR  23          HG23      THR  23   3.518   9.367  -2.042
  134    H    THR  24           H        THR  24   0.876   7.461  -3.949
  135    HA   THR  24           HA       THR  24  -1.923   6.705  -3.533
  136    HB   THR  24           HB       THR  24  -1.743   5.901  -5.963
  137    HG1  THR  24           HG1      THR  24   0.757   6.995  -5.631
  138   HG21  THR  24          HG21      THR  24  -3.067   7.859  -5.293
  139   HG22  THR  24          HG22      THR  24  -2.287   8.121  -6.853
  140   HG23  THR  24          HG23      THR  24  -1.628   8.871  -5.400
  141    H    CYS  25           H        CYS  25  -2.383   4.483  -3.588
  142    HA   CYS  25           HA       CYS  25  -0.224   2.832  -2.688
  143    HB2  CYS  25           HB2      CYS  25  -2.519   2.687  -1.719
  144    HB3  CYS  25           HB3      CYS  25  -3.102   2.113  -3.275
  145    H    GLN  26           H        GLN  26   1.186   2.311  -4.234
  146    HA   GLN  26           HA       GLN  26   0.268   1.534  -6.872
  147    HB2  GLN  26           HB2      GLN  26   3.043   1.892  -5.732
  148    HB3  GLN  26           HB3      GLN  26   2.689   1.481  -7.405
  149    HG2  GLN  26           HG2      GLN  26   1.871   4.017  -6.002
  150    HG3  GLN  26           HG3      GLN  26   3.200   3.847  -7.153
  151   HE21  GLN  26          HE21      GLN  26   0.769   5.501  -7.264
  152   HE22  GLN  26          HE22      GLN  26   0.015   5.072  -8.741
  153    H    VAL  27           H        VAL  27  -0.096  -0.483  -7.338
  154    HA   VAL  27           HA       VAL  27   0.651  -2.558  -5.479
  155    HB   VAL  27           HB       VAL  27  -0.859  -2.777  -8.105
  156   HG11  VAL  27          HG11      VAL  27  -1.675  -4.914  -7.227
  157   HG12  VAL  27          HG12      VAL  27  -0.671  -4.705  -5.792
  158   HG13  VAL  27          HG13      VAL  27   0.084  -4.901  -7.372
  159   HG21  VAL  27          HG21      VAL  27  -2.028  -1.301  -6.567
  160   HG22  VAL  27          HG22      VAL  27  -1.942  -2.525  -5.300
  161   HG23  VAL  27          HG23      VAL  27  -2.905  -2.822  -6.752
  162    H    LEU  28           H        LEU  28   2.642  -3.287  -5.649
  163    HA   LEU  28           HA       LEU  28   3.948  -3.322  -8.266
  164    HB2  LEU  28           HB2      LEU  28   5.100  -3.905  -5.525
  165    HB3  LEU  28           HB3      LEU  28   6.007  -3.750  -7.012
  166    HG   LEU  28           HG       LEU  28   4.517  -1.518  -5.627
  167   HD11  LEU  28          HD11      LEU  28   7.469  -2.069  -5.860
  168   HD12  LEU  28          HD12      LEU  28   6.492  -2.200  -4.399
  169   HD13  LEU  28          HD13      LEU  28   6.743  -0.627  -5.150
  170   HD21  LEU  28          HD21      LEU  28   6.300  -1.464  -8.063
  171   HD22  LEU  28          HD22      LEU  28   5.624  -0.051  -7.255
  172   HD23  LEU  28          HD23      LEU  28   4.554  -1.203  -8.051
  173    H    ASN  29           H        ASN  29   3.890  -5.393  -5.453
  174    HA   ASN  29           HA       ASN  29   3.814  -7.748  -7.180
  175    HB2  ASN  29           HB2      ASN  29   4.374  -7.491  -4.199
  176    HB3  ASN  29           HB3      ASN  29   4.328  -9.005  -5.084
  177   HD21  ASN  29          HD21      ASN  29   6.157  -6.124  -4.472
  178   HD22  ASN  29          HD22      ASN  29   7.575  -6.597  -5.322
  179    HA   PRO  30           HA       PRO  30  -0.471  -8.462  -6.215
  180    HB2  PRO  30           HB2      PRO  30   0.099 -11.085  -4.948
  181    HB3  PRO  30           HB3      PRO  30  -0.949 -10.712  -6.320
  182    HG2  PRO  30           HG2      PRO  30   1.387 -11.939  -6.662
  183    HG3  PRO  30           HG3      PRO  30   0.799 -10.744  -7.833
  184    HD2  PRO  30           HD2      PRO  30   2.882 -10.468  -5.710
  185    HD3  PRO  30           HD3      PRO  30   2.863  -9.799  -7.352
  186    H    TYR  31           H        TYR  31   1.748  -9.486  -3.675
  187    HA   TYR  31           HA       TYR  31  -0.236  -8.836  -1.637
  188    HB2  TYR  31           HB2      TYR  31   2.510 -10.069  -1.377
  189    HB3  TYR  31           HB3      TYR  31   1.355  -9.857  -0.070
  190    HD1  TYR  31           HD1      TYR  31  -0.279 -11.508   0.347
  191    HD2  TYR  31           HD2      TYR  31   1.888 -11.625  -3.300
  192    HE1  TYR  31           HE1      TYR  31  -1.194 -13.743  -0.130
  193    HE2  TYR  31           HE2      TYR  31   0.986 -13.845  -3.784
  194    HH   TYR  31           HH       TYR  31  -1.603 -15.151  -2.112
  195    H    TYR  32           H        TYR  32   2.652  -7.543  -3.084
  196    HA   TYR  32           HA       TYR  32   2.858  -5.697  -0.823
  197    HB2  TYR  32           HB2      TYR  32   4.915  -7.008  -1.427
  198    HB3  TYR  32           HB3      TYR  32   4.952  -6.126  -2.950
  199    HD1  TYR  32           HD1      TYR  32   4.976  -5.594   0.721
  200    HD2  TYR  32           HD2      TYR  32   6.110  -4.090  -3.092
  201    HE1  TYR  32           HE1      TYR  32   6.287  -3.842   1.818
  202    HE2  TYR  32           HE2      TYR  32   7.427  -2.312  -1.999
  203    HH   TYR  32           HH       TYR  32   7.612  -1.143   0.158
  204    H    SER  33           H        SER  33   1.847  -3.948  -1.090
  205    HA   SER  33           HA       SER  33   1.973  -2.516  -3.637
  206    HB2  SER  33           HB2      SER  33  -0.264  -2.556  -1.582
  207    HB3  SER  33           HB3      SER  33  -0.294  -1.661  -3.095
  208    HG   SER  33           HG       SER  33  -1.394  -3.756  -3.003
  209    H    GLN  34           H        GLN  34   2.554  -0.331  -3.354
  210    HA   GLN  34           HA       GLN  34   3.208   0.422  -0.594
  211    HB2  GLN  34           HB2      GLN  34   5.190  -0.541  -1.583
  212    HB3  GLN  34           HB3      GLN  34   5.053   0.525  -2.969
  213    HG2  GLN  34           HG2      GLN  34   5.582   2.427  -1.636
  214    HG3  GLN  34           HG3      GLN  34   5.483   1.461  -0.161
  215   HE21  GLN  34          HE21      GLN  34   7.370   2.128  -3.012
  216   HE22  GLN  34          HE22      GLN  34   8.804   1.379  -2.423
  217    H    CYS  35           H        CYS  35   2.824   2.496  -0.063
  218    HA   CYS  35           HA       CYS  35   1.461   4.225  -1.864
  219    HB2  CYS  35           HB2      CYS  35   2.682   4.877   0.824
  220    HB3  CYS  35           HB3      CYS  35   1.576   5.910  -0.068
  221    H    LEU  36           H        LEU  36   2.387   5.176  -3.471
  222    HA   LEU  36           HA       LEU  36   4.884   6.618  -3.089
  223    HB2  LEU  36           HB2      LEU  36   4.078   4.941  -5.476
  224    HB3  LEU  36           HB3      LEU  36   5.435   6.043  -5.459
  225    HG   LEU  36           HG       LEU  36   5.181   3.569  -3.738
  226   HD11  LEU  36          HD11      LEU  36   5.465   3.020  -6.097
  227   HD12  LEU  36          HD12      LEU  36   6.926   2.650  -5.184
  228   HD13  LEU  36          HD13      LEU  36   6.859   4.098  -6.186
  229   HD21  LEU  36          HD21      LEU  36   6.515   5.302  -2.667
  230   HD22  LEU  36          HD22      LEU  36   7.459   5.506  -4.139
  231   HD23  LEU  36          HD23      LEU  36   7.561   3.997  -3.232
  232    H1   MAN 101           H1       MAN 101   5.764   7.458   7.602
  233    H2   MAN 101           H2       MAN 101   3.581   8.936   9.098
  234    H3   MAN 101           H3       MAN 101   5.214  10.513   9.647
  235    H4   MAN 101           H4       MAN 101   7.246   8.282   9.205
  236    H5   MAN 101           H5       MAN 101   6.997  10.866   7.566
  237    H61  MAN 101           H61      MAN 101   7.923   8.009   7.033
  238    H62  MAN 101           H62      MAN 101   8.934   9.472   7.031
  239    HO2  MAN 101           HO2      MAN 101   3.952   6.722   9.360
  240    HO3  MAN 101           HO3      MAN 101   5.892   8.176  11.104
  241    HO4  MAN 101           HO4      MAN 101   8.725  10.024   9.497
  242    HO6  MAN 101           HO6      MAN 101   6.686   9.294   5.322
  Start of MODEL    7
    1    H1   THR   1           H1       THR   1  -1.898   6.070   9.289
    2    H2   THR   1           H2       THR   1  -2.673   4.635   8.864
    3    H3   THR   1           H3       THR   1  -3.561   6.072   9.080
    4    HA   THR   1           HA       THR   1  -3.278   5.584   6.750
    5    HB   THR   1           HB       THR   1  -1.720   7.980   7.752
    6    HG1  THR   1           HG1      THR   1  -4.357   8.400   7.201
    7   HG21  THR   1          HG21      THR   1  -3.425   7.598   5.279
    8   HG22  THR   1          HG22      THR   1  -1.663   7.680   5.304
    9   HG23  THR   1          HG23      THR   1  -2.618   9.093   5.750
   10    H    GLN   2           H        GLN   2  -1.824   4.913   5.092
   11    HA   GLN   2           HA       GLN   2   0.756   4.128   6.105
   12    HB2  GLN   2           HB2      GLN   2  -0.601   2.558   4.710
   13    HB3  GLN   2           HB3      GLN   2  -0.430   3.662   3.355
   14    HG2  GLN   2           HG2      GLN   2   1.121   1.765   3.233
   15    HG3  GLN   2           HG3      GLN   2   1.983   3.295   3.319
   16   HE21  GLN   2          HE21      GLN   2   1.211   0.358   4.948
   17   HE22  GLN   2          HE22      GLN   2   2.366   0.531   6.220
   18    H    SER   3           H        SER   3   2.634   4.972   5.532
   19    HA   SER   3           HA       SER   3   2.509   7.638   4.382
   20    HB2  SER   3           HB2      SER   3   3.514   7.263   6.568
   21    HB3  SER   3           HB3      SER   3   4.731   6.202   5.846
   22    H    HIS   4           H        HIS   4   4.843   8.117   3.313
   23    HA   HIS   4           HA       HIS   4   4.795   6.864   0.788
   24    HB2  HIS   4           HB2      HIS   4   5.597   9.202   1.215
   25    HB3  HIS   4           HB3      HIS   4   7.011   8.530   2.015
   26    HD1  HIS   4           HD1      HIS   4   8.972   8.757   0.488
   27    HD2  HIS   4           HD2      HIS   4   5.498   7.835  -1.586
   28    HE1  HIS   4           HE1      HIS   4   9.649   8.544  -1.905
   29    HE2  HIS   4           HE2      HIS   4   7.541   8.047  -3.154
   30    H    ALA   5           H        ALA   5   5.536   4.996   0.267
   31    HA   ALA   5           HA       ALA   5   6.566   3.060   0.193
   32    HB1  ALA   5           HB1      ALA   5   8.711   4.334   0.167
   33    HB2  ALA   5           HB2      ALA   5   8.845   2.735   0.895
   34    HB3  ALA   5           HB3      ALA   5   8.777   4.158   1.926
   35    H    GLY   6           H        GLY   6   5.046   1.949   1.122
   36    HA2  GLY   6           HA2      GLY   6   5.557   0.496   3.442
   37    HA3  GLY   6           HA3      GLY   6   4.346   1.747   3.754
   38    H    GLN   7           H        GLN   7   3.584  -0.967   3.780
   39    HA   GLN   7           HA       GLN   7   2.492  -1.483   1.156
   40    HB2  GLN   7           HB2      GLN   7   3.390  -3.368   2.489
   41    HB3  GLN   7           HB3      GLN   7   2.182  -3.065   3.723
   42    HG2  GLN   7           HG2      GLN   7   0.416  -3.706   2.247
   43    HG3  GLN   7           HG3      GLN   7   1.529  -3.857   0.885
   44   HE21  GLN   7          HE21      GLN   7  -0.222  -5.924   2.009
   45   HE22  GLN   7          HE22      GLN   7   0.836  -7.181   2.506
   46    H    CYS   8           H        CYS   8   0.764  -0.557   0.549
   47    HA   CYS   8           HA       CYS   8  -1.118   0.577   2.477
   48    HB2  CYS   8           HB2      CYS   8  -2.033   1.661   0.420
   49    HB3  CYS   8           HB3      CYS   8  -0.381   2.095   0.845
   50    H    GLY   9           H        GLY   9  -1.118  -1.801  -0.139
   51    HA2  GLY   9           HA2      GLY   9  -3.589  -2.842   0.891
   52    HA3  GLY   9           HA3      GLY   9  -3.796  -1.972  -0.622
   53    H    GLY  10           H        GLY  10  -1.743  -4.392   0.815
   54    HA2  GLY  10           HA2      GLY  10  -1.787  -5.796  -1.768
   55    HA3  GLY  10           HA3      GLY  10  -0.493  -5.946  -0.573
   56    H    ILE  11           H        ILE  11  -1.987  -8.129  -1.596
   57    HA   ILE  11           HA       ILE  11  -4.148  -8.896  -0.016
   58    HB   ILE  11           HB       ILE  11  -2.102 -10.689  -1.365
   59   HG12  ILE  11          HG12      ILE  11  -4.773  -9.672  -2.380
   60   HG13  ILE  11          HG13      ILE  11  -3.206  -9.057  -2.883
   61   HG21  ILE  11          HG21      ILE  11  -4.920 -11.297  -0.447
   62   HG22  ILE  11          HG22      ILE  11  -3.435 -11.900   0.285
   63   HG23  ILE  11          HG23      ILE  11  -3.874 -12.398  -1.348
   64   HD11  ILE  11          HD11      ILE  11  -4.228 -11.857  -3.315
   65   HD12  ILE  11          HD12      ILE  11  -2.660 -11.238  -3.839
   66   HD13  ILE  11          HD13      ILE  11  -4.142 -10.579  -4.530
   67    H    GLY  12           H        GLY  12  -4.235  -9.196   2.088
   68    HA2  GLY  12           HA2      GLY  12  -3.587 -10.653   3.952
   69    HA3  GLY  12           HA3      GLY  12  -1.914 -10.395   3.472
   70    H    TYR  13           H        TYR  13  -3.082  -7.509   2.955
   71    HA   TYR  13           HA       TYR  13  -2.332  -6.538   5.603
   72    HB2  TYR  13           HB2      TYR  13  -1.190  -5.570   3.665
   73    HB3  TYR  13           HB3      TYR  13  -2.725  -5.129   2.949
   74    HD1  TYR  13           HD1      TYR  13  -0.463  -4.404   5.819
   75    HD2  TYR  13           HD2      TYR  13  -3.685  -3.060   3.402
   76    HE1  TYR  13           HE1      TYR  13  -0.274  -2.159   6.820
   77    HE2  TYR  13           HE2      TYR  13  -3.519  -0.840   4.400
   78    HH   TYR  13           HH       TYR  13  -2.636   0.348   5.993
   79    H    SER  14           H        SER  14  -3.875  -5.988   7.030
   80    HA   SER  14           HA       SER  14  -6.593  -5.608   6.028
   81    HB2  SER  14           HB2      SER  14  -7.188  -6.380   8.393
   82    HB3  SER  14           HB3      SER  14  -6.513  -7.589   7.301
   83    HG   SER  14           HG       SER  14  -5.213  -7.891   8.914
   84    H    GLY  15           H        GLY  15  -4.122  -3.806   7.009
   85    HA2  GLY  15           HA2      GLY  15  -5.431  -2.115   8.953
   86    HA3  GLY  15           HA3      GLY  15  -3.858  -1.845   8.217
   87    HA   PRO  16           HA       PRO  16  -6.768   1.230   6.334
   88    HB2  PRO  16           HB2      PRO  16  -5.106   3.362   6.527
   89    HB3  PRO  16           HB3      PRO  16  -6.173   2.867   7.843
   90    HG2  PRO  16           HG2      PRO  16  -3.256   2.356   7.478
   91    HG3  PRO  16           HG3      PRO  16  -4.142   2.790   8.954
   92    HD2  PRO  16           HD2      PRO  16  -3.353   0.244   8.366
   93    HD3  PRO  16           HD3      PRO  16  -4.789   0.626   9.339
   94    H    THR  17           H        THR  17  -6.794   1.304   4.187
   95    HA   THR  17           HA       THR  17  -4.437   0.600   2.731
   96    HB   THR  17           HB       THR  17  -6.100   0.659   0.818
   97    HG1  THR  17           HG1      THR  17  -8.209   0.963   1.318
   98   HG21  THR  17          HG21      THR  17  -6.737  -1.105   3.198
   99   HG22  THR  17          HG22      THR  17  -5.483  -1.416   1.997
  100   HG23  THR  17          HG23      THR  17  -7.180  -1.442   1.521
  101    H    VAL  18           H        VAL  18  -5.991   3.391   3.708
  102    HA   VAL  18           HA       VAL  18  -5.421   4.974   1.411
  103    HB   VAL  18           HB       VAL  18  -7.328   5.461   2.922
  104   HG11  VAL  18          HG11      VAL  18  -6.349   5.045   5.076
  105   HG12  VAL  18          HG12      VAL  18  -7.005   6.681   5.009
  106   HG13  VAL  18          HG13      VAL  18  -5.266   6.424   4.880
  107   HG21  VAL  18          HG21      VAL  18  -5.366   7.711   2.546
  108   HG22  VAL  18          HG22      VAL  18  -7.074   7.923   2.925
  109   HG23  VAL  18          HG23      VAL  18  -6.597   7.178   1.400
  110    H    CYS  19           H        CYS  19  -3.785   6.169   0.937
  111    HA   CYS  19           HA       CYS  19  -1.400   6.023   2.585
  112    HB2  CYS  19           HB2      CYS  19  -1.824   7.009  -0.240
  113    HB3  CYS  19           HB3      CYS  19  -0.270   6.884   0.576
  114    H    ALA  20           H        ALA  20  -0.075   7.996   2.672
  115    HA   ALA  20           HA       ALA  20  -1.442  10.225   3.681
  116    HB1  ALA  20           HB1      ALA  20   0.770  11.293   3.689
  117    HB2  ALA  20           HB2      ALA  20   1.406   9.972   2.710
  118    HB3  ALA  20           HB3      ALA  20   0.837   9.660   4.351
  119    H    SER  21           H        SER  21  -1.935  12.151   2.740
  120    HA   SER  21           HA       SER  21  -2.612  12.268   0.063
  121    HB2  SER  21           HB2      SER  21  -3.594  13.702   1.826
  122    HB3  SER  21           HB3      SER  21  -2.069  14.566   1.969
  123    HG   SER  21           HG       SER  21  -3.896  15.390   0.570
  124    H    GLY  22           H        GLY  22  -1.505  12.631  -1.726
  125    HA2  GLY  22           HA2      GLY  22   0.177  13.864  -2.942
  126    HA3  GLY  22           HA3      GLY  22   1.220  13.720  -1.530
  127    H    THR  23           H        THR  23   0.114  10.884  -1.211
  128    HA   THR  23           HA       THR  23   1.742   9.709  -3.336
  129    HB   THR  23           HB       THR  23   2.235   7.806  -1.812
  130    HG1  THR  23           HG1      THR  23   0.647   9.311  -0.021
  131   HG21  THR  23          HG21      THR  23   3.848   9.607  -1.978
  132   HG22  THR  23          HG22      THR  23   3.809   8.985  -0.325
  133   HG23  THR  23          HG23      THR  23   3.001  10.502  -0.720
  134    H    THR  24           H        THR  24   1.058   7.577  -4.075
  135    HA   THR  24           HA       THR  24  -1.774   7.098  -3.572
  136    HB   THR  24           HB       THR  24  -1.805   6.241  -5.987
  137    HG1  THR  24           HG1      THR  24   0.785   7.031  -5.864
  138   HG21  THR  24          HG21      THR  24  -2.957   8.294  -5.319
  139   HG22  THR  24          HG22      THR  24  -2.222   8.490  -6.912
  140   HG23  THR  24          HG23      THR  24  -1.455   9.202  -5.490
  141    H    CYS  25           H        CYS  25  -2.391   4.918  -3.623
  142    HA   CYS  25           HA       CYS  25  -0.333   3.126  -2.756
  143    HB2  CYS  25           HB2      CYS  25  -2.563   3.070  -1.739
  144    HB3  CYS  25           HB3      CYS  25  -3.271   2.627  -3.287
  145    H    GLN  26           H        GLN  26   1.041   2.495  -4.330
  146    HA   GLN  26           HA       GLN  26  -0.142   1.679  -6.858
  147    HB2  GLN  26           HB2      GLN  26   2.753   2.244  -6.208
  148    HB3  GLN  26           HB3      GLN  26   2.123   1.850  -7.797
  149    HG2  GLN  26           HG2      GLN  26   0.690   3.923  -7.618
  150    HG3  GLN  26           HG3      GLN  26   1.630   4.339  -6.187
  151   HE21  GLN  26          HE21      GLN  26   2.548   6.171  -7.056
  152   HE22  GLN  26          HE22      GLN  26   3.665   6.124  -8.366
  153    H    VAL  27           H        VAL  27  -0.529  -0.324  -7.103
  154    HA   VAL  27           HA       VAL  27   0.505  -2.386  -5.437
  155    HB   VAL  27           HB       VAL  27  -0.993  -2.629  -8.068
  156   HG11  VAL  27          HG11      VAL  27  -0.665  -4.601  -5.812
  157   HG12  VAL  27          HG12      VAL  27   0.093  -4.705  -7.399
  158   HG13  VAL  27          HG13      VAL  27  -1.662  -4.842  -7.250
  159   HG21  VAL  27          HG21      VAL  27  -2.261  -1.277  -6.490
  160   HG22  VAL  27          HG22      VAL  27  -2.078  -2.521  -5.251
  161   HG23  VAL  27          HG23      VAL  27  -3.027  -2.854  -6.702
  162    H    LEU  28           H        LEU  28   2.449  -3.226  -5.661
  163    HA   LEU  28           HA       LEU  28   3.828  -2.975  -8.234
  164    HB2  LEU  28           HB2      LEU  28   4.934  -3.614  -5.490
  165    HB3  LEU  28           HB3      LEU  28   5.890  -3.360  -6.931
  166    HG   LEU  28           HG       LEU  28   4.250  -1.283  -5.483
  167   HD11  LEU  28          HD11      LEU  28   6.415  -0.270  -4.983
  168   HD12  LEU  28          HD12      LEU  28   7.224  -1.639  -5.744
  169   HD13  LEU  28          HD13      LEU  28   6.259  -1.882  -4.289
  170   HD21  LEU  28          HD21      LEU  28   5.248   0.329  -7.045
  171   HD22  LEU  28          HD22      LEU  28   4.246  -0.853  -7.887
  172   HD23  LEU  28          HD23      LEU  28   6.004  -0.998  -7.927
  173    H    ASN  29           H        ASN  29   3.877  -5.201  -5.523
  174    HA   ASN  29           HA       ASN  29   3.906  -7.485  -7.351
  175    HB2  ASN  29           HB2      ASN  29   4.281  -7.350  -4.339
  176    HB3  ASN  29           HB3      ASN  29   4.385  -8.810  -5.311
  177   HD21  ASN  29          HD21      ASN  29   6.326  -7.643  -3.573
  178   HD22  ASN  29          HD22      ASN  29   7.721  -7.301  -4.524
  179    HA   PRO  30           HA       PRO  30  -0.381  -8.375  -6.412
  180    HB2  PRO  30           HB2      PRO  30   0.365 -11.095  -5.450
  181    HB3  PRO  30           HB3      PRO  30  -0.778 -10.636  -6.714
  182    HG2  PRO  30           HG2      PRO  30   1.572 -11.674  -7.370
  183    HG3  PRO  30           HG3      PRO  30   0.910 -10.317  -8.299
  184    HD2  PRO  30           HD2      PRO  30   3.016 -10.303  -6.169
  185    HD3  PRO  30           HD3      PRO  30   3.004  -9.441  -7.720
  186    H    TYR  31           H        TYR  31   2.016  -9.218  -3.995
  187    HA   TYR  31           HA       TYR  31  -0.031  -8.887  -1.922
  188    HB2  TYR  31           HB2      TYR  31   2.736 -10.080  -1.709
  189    HB3  TYR  31           HB3      TYR  31   1.628  -9.877  -0.370
  190    HD1  TYR  31           HD1      TYR  31  -0.128 -11.426   0.017
  191    HD2  TYR  31           HD2      TYR  31   2.163 -11.676  -3.553
  192    HE1  TYR  31           HE1      TYR  31  -1.117 -13.618  -0.452
  193    HE2  TYR  31           HE2      TYR  31   1.183 -13.869  -4.045
  194    HH   TYR  31           HH       TYR  31   0.126 -15.683  -2.869
  195    H    TYR  32           H        TYR  32   2.833  -7.403  -3.229
  196    HA   TYR  32           HA       TYR  32   2.795  -5.589  -0.941
  197    HB2  TYR  32           HB2      TYR  32   4.965  -6.727  -1.439
  198    HB3  TYR  32           HB3      TYR  32   5.016  -5.842  -2.960
  199    HD1  TYR  32           HD1      TYR  32   6.106  -3.768  -3.014
  200    HD2  TYR  32           HD2      TYR  32   4.691  -5.275   0.704
  201    HE1  TYR  32           HE1      TYR  32   7.204  -1.902  -1.839
  202    HE2  TYR  32           HE2      TYR  32   5.784  -3.424   1.883
  203    HH   TYR  32           HH       TYR  32   7.204  -0.728   0.215
  204    H    SER  33           H        SER  33   1.665  -3.861  -1.245
  205    HA   SER  33           HA       SER  33   1.864  -2.444  -3.801
  206    HB2  SER  33           HB2      SER  33  -0.407  -2.364  -1.783
  207    HB3  SER  33           HB3      SER  33  -0.391  -1.605  -3.374
  208    HG   SER  33           HG       SER  33  -1.486  -3.775  -3.072
  209    H    GLN  34           H        GLN  34   2.489  -0.268  -3.552
  210    HA   GLN  34           HA       GLN  34   3.155   0.456  -0.798
  211    HB2  GLN  34           HB2      GLN  34   5.121  -0.470  -1.746
  212    HB3  GLN  34           HB3      GLN  34   4.945   0.478  -3.211
  213    HG2  GLN  34           HG2      GLN  34   5.500   2.487  -2.042
  214    HG3  GLN  34           HG3      GLN  34   5.430   1.623  -0.505
  215   HE21  GLN  34          HE21      GLN  34   7.251   2.012  -3.457
  216   HE22  GLN  34          HE22      GLN  34   8.705   1.319  -2.839
  217    H    CYS  35           H        CYS  35   2.857   2.550  -0.242
  218    HA   CYS  35           HA       CYS  35   1.471   4.320  -1.980
  219    HB2  CYS  35           HB2      CYS  35   2.785   4.902   0.673
  220    HB3  CYS  35           HB3      CYS  35   1.640   5.950  -0.154
  221    H    LEU  36           H        LEU  36   2.381   5.245  -3.607
  222    HA   LEU  36           HA       LEU  36   4.870   6.717  -3.295
  223    HB2  LEU  36           HB2      LEU  36   4.067   5.007  -5.664
  224    HB3  LEU  36           HB3      LEU  36   5.451   6.076  -5.613
  225    HG   LEU  36           HG       LEU  36   5.097   3.614  -3.895
  226   HD11  LEU  36          HD11      LEU  36   6.845   2.637  -5.319
  227   HD12  LEU  36          HD12      LEU  36   6.821   4.086  -6.320
  228   HD13  LEU  36          HD13      LEU  36   5.397   3.051  -6.237
  229   HD21  LEU  36          HD21      LEU  36   7.458   5.459  -4.265
  230   HD22  LEU  36          HD22      LEU  36   7.461   3.980  -3.311
  231   HD23  LEU  36          HD23      LEU  36   6.463   5.342  -2.818
  232    H1   MAN 101           H1       MAN 101   6.523   7.594   6.574
  233    H2   MAN 101           H2       MAN 101   4.476   8.044   8.043
  234    H3   MAN 101           H3       MAN 101   3.696  10.032   6.834
  235    H4   MAN 101           H4       MAN 101   6.198  11.321   8.010
  236    H5   MAN 101           H5       MAN 101   5.448  10.734   5.059
  237    H61  MAN 101           H61      MAN 101   7.842  12.017   6.431
  238    H62  MAN 101           H62      MAN 101   6.835  12.736   5.152
  239    HO2  MAN 101           HO2      MAN 101   5.700   9.159   9.610
  240    HO3  MAN 101           HO3      MAN 101   4.549  10.661   9.517
  241    HO4  MAN 101           HO4      MAN 101   4.338  12.611   7.932
  242    HO6  MAN 101           HO6      MAN 101   8.223  10.272   4.774
  Start of MODEL    8
    1    H1   THR   1           H1       THR   1  -2.703   6.369   9.070
    2    H2   THR   1           H2       THR   1  -3.189   4.916   8.398
    3    H3   THR   1           H3       THR   1  -4.303   6.193   8.578
    4    HA   THR   1           HA       THR   1  -3.644   6.012   6.319
    5    HB   THR   1           HB       THR   1  -2.414   8.439   7.661
    6    HG1  THR   1           HG1      THR   1  -4.749   9.175   7.286
    7   HG21  THR   1          HG21      THR   1  -3.204   9.611   5.650
    8   HG22  THR   1          HG22      THR   1  -3.835   8.099   5.005
    9   HG23  THR   1          HG23      THR   1  -2.097   8.311   5.219
   10    H    GLN   2           H        GLN   2  -2.141   5.033   5.134
   11    HA   GLN   2           HA       GLN   2   0.479   4.498   6.180
   12    HB2  GLN   2           HB2      GLN   2  -0.886   2.792   4.988
   13    HB3  GLN   2           HB3      GLN   2  -0.813   3.771   3.536
   14    HG2  GLN   2           HG2      GLN   2   0.751   1.896   3.464
   15    HG3  GLN   2           HG3      GLN   2   1.603   3.436   3.412
   16   HE21  GLN   2          HE21      GLN   2   0.935   0.614   5.225
   17   HE22  GLN   2          HE22      GLN   2   2.132   0.857   6.443
   18    H    SER   3           H        SER   3   2.428   5.027   5.005
   19    HA   SER   3           HA       SER   3   2.129   7.388   3.324
   20    HB2  SER   3           HB2      SER   3   4.017   7.048   5.649
   21    HB3  SER   3           HB3      SER   3   4.077   8.388   4.493
   22    H    HIS   4           H        HIS   4   4.809   7.883   2.851
   23    HA   HIS   4           HA       HIS   4   5.131   6.239   0.598
   24    HB2  HIS   4           HB2      HIS   4   5.956   8.621   0.881
   25    HB3  HIS   4           HB3      HIS   4   7.268   7.969   1.854
   26    HD1  HIS   4           HD1      HIS   4   9.344   7.249   0.569
   27    HD2  HIS   4           HD2      HIS   4   6.009   7.682  -1.875
   28    HE1  HIS   4           HE1      HIS   4  10.170   6.927  -1.747
   29    HE2  HIS   4           HE2      HIS   4   8.202   7.484  -3.209
   30    H    ALA   5           H        ALA   5   6.338   4.477   0.184
   31    HA   ALA   5           HA       ALA   5   7.655   2.694   0.405
   32    HB1  ALA   5           HB1      ALA   5   8.858   3.981   2.865
   33    HB2  ALA   5           HB2      ALA   5   9.452   4.196   1.219
   34    HB3  ALA   5           HB3      ALA   5   9.516   2.606   1.983
   35    H    GLY   6           H        GLY   6   5.127   3.314   2.146
   36    HA2  GLY   6           HA2      GLY   6   5.377   0.992   3.905
   37    HA3  GLY   6           HA3      GLY   6   4.157   2.254   4.015
   38    H    GLN   7           H        GLN   7   3.822  -0.617   3.875
   39    HA   GLN   7           HA       GLN   7   2.753  -1.190   1.275
   40    HB2  GLN   7           HB2      GLN   7   3.712  -2.992   2.663
   41    HB3  GLN   7           HB3      GLN   7   2.482  -2.703   3.883
   42    HG2  GLN   7           HG2      GLN   7   0.761  -3.435   2.433
   43    HG3  GLN   7           HG3      GLN   7   1.826  -3.582   1.054
   44   HE21  GLN   7          HE21      GLN   7   0.195  -5.656   2.157
   45   HE22  GLN   7          HE22      GLN   7   1.237  -6.899   2.725
   46    H    CYS   8           H        CYS   8   0.965  -0.393   0.637
   47    HA   CYS   8           HA       CYS   8  -0.902   0.684   2.579
   48    HB2  CYS   8           HB2      CYS   8  -1.934   1.711   0.557
   49    HB3  CYS   8           HB3      CYS   8  -0.282   2.210   0.927
   50    H    GLY   9           H        GLY   9  -0.937  -1.673  -0.077
   51    HA2  GLY   9           HA2      GLY   9  -3.410  -2.728   0.983
   52    HA3  GLY   9           HA3      GLY   9  -3.614  -1.855  -0.527
   53    H    GLY  10           H        GLY  10  -1.704  -4.356   0.936
   54    HA2  GLY  10           HA2      GLY  10  -1.698  -5.713  -1.664
   55    HA3  GLY  10           HA3      GLY  10  -0.428  -5.903  -0.454
   56    H    ILE  11           H        ILE  11  -2.053  -7.966  -1.616
   57    HA   ILE  11           HA       ILE  11  -4.145  -8.816   0.012
   58    HB   ILE  11           HB       ILE  11  -2.110 -10.537  -1.444
   59   HG12  ILE  11          HG12      ILE  11  -4.816  -9.543  -2.377
   60   HG13  ILE  11          HG13      ILE  11  -3.270  -8.878  -2.891
   61   HG21  ILE  11          HG21      ILE  11  -3.389 -11.813   0.198
   62   HG22  ILE  11          HG22      ILE  11  -3.854 -12.259  -1.444
   63   HG23  ILE  11          HG23      ILE  11  -4.895 -11.200  -0.490
   64   HD11  ILE  11          HD11      ILE  11  -4.228 -11.693  -3.380
   65   HD12  ILE  11          HD12      ILE  11  -2.694 -11.013  -3.924
   66   HD13  ILE  11          HD13      ILE  11  -4.214 -10.384  -4.561
   67    H    GLY  12           H        GLY  12  -4.195  -9.443   2.079
   68    HA2  GLY  12           HA2      GLY  12  -3.388 -10.889   3.833
   69    HA3  GLY  12           HA3      GLY  12  -1.747 -10.546   3.289
   70    H    TYR  13           H        TYR  13  -2.838  -7.692   2.904
   71    HA   TYR  13           HA       TYR  13  -2.288  -6.817   5.649
   72    HB2  TYR  13           HB2      TYR  13  -0.849  -5.963   3.782
   73    HB3  TYR  13           HB3      TYR  13  -2.282  -5.286   3.043
   74    HD1  TYR  13           HD1      TYR  13  -0.256  -5.107   6.162
   75    HD2  TYR  13           HD2      TYR  13  -2.899  -3.098   3.509
   76    HE1  TYR  13           HE1      TYR  13   0.143  -3.003   7.361
   77    HE2  TYR  13           HE2      TYR  13  -2.510  -0.995   4.704
   78    HH   TYR  13           HH       TYR  13  -1.726  -0.167   6.726
   79    H    SER  14           H        SER  14  -4.153  -6.551   6.758
   80    HA   SER  14           HA       SER  14  -6.488  -5.642   5.271
   81    HB2  SER  14           HB2      SER  14  -7.701  -6.630   7.286
   82    HB3  SER  14           HB3      SER  14  -6.874  -7.758   6.209
   83    HG   SER  14           HG       SER  14  -6.342  -7.022   8.795
   84    H    GLY  15           H        GLY  15  -4.176  -4.229   6.910
   85    HA2  GLY  15           HA2      GLY  15  -5.675  -2.688   8.841
   86    HA3  GLY  15           HA3      GLY  15  -3.979  -2.488   8.414
   87    HA   PRO  16           HA       PRO  16  -6.167   1.245   6.793
   88    HB2  PRO  16           HB2      PRO  16  -3.966   2.870   7.041
   89    HB3  PRO  16           HB3      PRO  16  -5.153   2.613   8.322
   90    HG2  PRO  16           HG2      PRO  16  -2.472   1.357   7.947
   91    HG3  PRO  16           HG3      PRO  16  -3.252   1.917   9.433
   92    HD2  PRO  16           HD2      PRO  16  -3.132  -0.677   8.744
   93    HD3  PRO  16           HD3      PRO  16  -4.502  -0.005   9.646
   94    H    THR  17           H        THR  17  -6.400   1.057   4.685
   95    HA   THR  17           HA       THR  17  -4.141   0.464   2.984
   96    HB   THR  17           HB       THR  17  -6.039   0.196   1.289
   97    HG1  THR  17           HG1      THR  17  -7.962   0.692   1.991
   98   HG21  THR  17          HG21      THR  17  -4.906  -1.706   2.374
   99   HG22  THR  17          HG22      THR  17  -6.629  -2.031   2.189
  100   HG23  THR  17          HG23      THR  17  -5.983  -1.559   3.760
  101    H    VAL  18           H        VAL  18  -5.618   3.221   4.037
  102    HA   VAL  18           HA       VAL  18  -5.506   4.561   1.473
  103    HB   VAL  18           HB       VAL  18  -7.438   5.056   2.909
  104   HG11  VAL  18          HG11      VAL  18  -5.480   6.231   4.863
  105   HG12  VAL  18          HG12      VAL  18  -6.473   4.794   5.103
  106   HG13  VAL  18          HG13      VAL  18  -7.234   6.378   4.964
  107   HG21  VAL  18          HG21      VAL  18  -7.371   7.520   2.823
  108   HG22  VAL  18          HG22      VAL  18  -6.756   6.777   1.346
  109   HG23  VAL  18          HG23      VAL  18  -5.633   7.443   2.531
  110    H    CYS  19           H        CYS  19  -3.872   5.758   0.773
  111    HA   CYS  19           HA       CYS  19  -1.540   6.071   2.465
  112    HB2  CYS  19           HB2      CYS  19  -1.989   6.775  -0.446
  113    HB3  CYS  19           HB3      CYS  19  -0.462   6.915   0.409
  114    H    ALA  20           H        ALA  20  -0.548   8.039   2.810
  115    HA   ALA  20           HA       ALA  20  -2.169  10.248   3.374
  116    HB1  ALA  20           HB1      ALA  20  -0.064  11.456   3.738
  117    HB2  ALA  20           HB2      ALA  20   0.821  10.150   2.950
  118    HB3  ALA  20           HB3      ALA  20  -0.010   9.853   4.476
  119    H    SER  21           H        SER  21  -2.486  12.185   2.267
  120    HA   SER  21           HA       SER  21  -2.632  11.967  -0.492
  121    HB2  SER  21           HB2      SER  21  -3.095  14.536  -0.117
  122    HB3  SER  21           HB3      SER  21  -4.250  13.317   0.436
  123    HG   SER  21           HG       SER  21  -3.976  14.349   2.245
  124    H    GLY  22           H        GLY  22  -1.288  12.495  -2.055
  125    HA2  GLY  22           HA2      GLY  22   0.526  13.836  -2.924
  126    HA3  GLY  22           HA3      GLY  22   1.249  13.798  -1.317
  127    H    THR  23           H        THR  23   0.028  10.851  -1.538
  128    HA   THR  23           HA       THR  23   2.067   9.688  -3.263
  129    HB   THR  23           HB       THR  23   2.408   7.839  -1.616
  130    HG1  THR  23           HG1      THR  23   0.558   9.299  -0.165
  131   HG21  THR  23          HG21      THR  23   3.193  10.569  -0.580
  132   HG22  THR  23          HG22      THR  23   4.097   9.583  -1.732
  133   HG23  THR  23          HG23      THR  23   3.907   9.043  -0.062
  134    H    THR  24           H        THR  24   1.380   7.752  -4.243
  135    HA   THR  24           HA       THR  24  -1.490   7.248  -3.883
  136    HB   THR  24           HB       THR  24  -1.458   6.401  -6.252
  137    HG1  THR  24           HG1      THR  24   1.250   6.949  -5.961
  138   HG21  THR  24          HG21      THR  24  -0.548   9.261  -5.902
  139   HG22  THR  24          HG22      THR  24  -2.203   8.681  -5.753
  140   HG23  THR  24          HG23      THR  24  -1.382   8.609  -7.315
  141    H    CYS  25           H        CYS  25  -2.204   5.071  -3.794
  142    HA   CYS  25           HA       CYS  25  -0.188   3.283  -2.777
  143    HB2  CYS  25           HB2      CYS  25  -2.374   3.326  -1.687
  144    HB3  CYS  25           HB3      CYS  25  -3.156   2.881  -3.198
  145    H    GLN  26           H        GLN  26   1.131   2.584  -4.336
  146    HA   GLN  26           HA       GLN  26  -0.069   1.711  -6.810
  147    HB2  GLN  26           HB2      GLN  26   2.824   2.106  -6.084
  148    HB3  GLN  26           HB3      GLN  26   2.254   1.561  -7.656
  149    HG2  GLN  26           HG2      GLN  26   0.946   3.692  -7.813
  150    HG3  GLN  26           HG3      GLN  26   1.769   4.228  -6.353
  151   HE21  GLN  26          HE21      GLN  26   2.802   5.916  -7.320
  152   HE22  GLN  26          HE22      GLN  26   4.050   5.730  -8.482
  153    H    VAL  27           H        VAL  27  -0.641  -0.209  -6.990
  154    HA   VAL  27           HA       VAL  27   0.278  -2.331  -5.296
  155    HB   VAL  27           HB       VAL  27  -1.458  -2.472  -7.781
  156   HG11  VAL  27          HG11      VAL  27  -0.541  -4.642  -7.154
  157   HG12  VAL  27          HG12      VAL  27  -2.278  -4.591  -6.848
  158   HG13  VAL  27          HG13      VAL  27  -1.141  -4.430  -5.508
  159   HG21  VAL  27          HG21      VAL  27  -2.415  -0.966  -6.109
  160   HG22  VAL  27          HG22      VAL  27  -2.306  -2.245  -4.894
  161   HG23  VAL  27          HG23      VAL  27  -3.373  -2.435  -6.287
  162    H    LEU  28           H        LEU  28   2.389  -2.658  -5.675
  163    HA   LEU  28           HA       LEU  28   3.463  -2.838  -8.337
  164    HB2  LEU  28           HB2      LEU  28   4.713  -3.548  -5.670
  165    HB3  LEU  28           HB3      LEU  28   5.579  -3.417  -7.184
  166    HG   LEU  28           HG       LEU  28   4.237  -1.147  -5.711
  167   HD11  LEU  28          HD11      LEU  28   6.508  -0.354  -5.328
  168   HD12  LEU  28          HD12      LEU  28   7.148  -1.806  -6.100
  169   HD13  LEU  28          HD13      LEU  28   6.239  -1.934  -4.595
  170   HD21  LEU  28          HD21      LEU  28   5.893  -1.127  -8.238
  171   HD22  LEU  28          HD22      LEU  28   5.334   0.299  -7.369
  172   HD23  LEU  28          HD23      LEU  28   4.166  -0.785  -8.121
  173    H    ASN  29           H        ASN  29   3.594  -5.090  -5.658
  174    HA   ASN  29           HA       ASN  29   3.244  -7.338  -7.495
  175    HB2  ASN  29           HB2      ASN  29   3.956  -7.289  -4.542
  176    HB3  ASN  29           HB3      ASN  29   3.892  -8.720  -5.558
  177   HD21  ASN  29          HD21      ASN  29   6.069  -7.681  -3.999
  178   HD22  ASN  29          HD22      ASN  29   7.382  -7.363  -5.067
  179    HA   PRO  30           HA       PRO  30  -0.970  -7.864  -6.074
  180    HB2  PRO  30           HB2      PRO  30  -0.427 -10.644  -5.169
  181    HB3  PRO  30           HB3      PRO  30  -1.610 -10.063  -6.347
  182    HG2  PRO  30           HG2      PRO  30   0.579 -11.359  -7.141
  183    HG3  PRO  30           HG3      PRO  30  -0.056  -9.985  -8.066
  184    HD2  PRO  30           HD2      PRO  30   2.255 -10.088  -6.172
  185    HD3  PRO  30           HD3      PRO  30   2.124  -9.249  -7.732
  186    H    TYR  31           H        TYR  31   1.514  -9.170  -3.910
  187    HA   TYR  31           HA       TYR  31  -0.226  -8.686  -1.605
  188    HB2  TYR  31           HB2      TYR  31   2.499  -9.990  -1.721
  189    HB3  TYR  31           HB3      TYR  31   1.466  -9.882  -0.305
  190    HD1  TYR  31           HD1      TYR  31  -0.340 -11.409   0.009
  191    HD2  TYR  31           HD2      TYR  31   1.858 -11.443  -3.615
  192    HE1  TYR  31           HE1      TYR  31  -1.381 -13.537  -0.597
  193    HE2  TYR  31           HE2      TYR  31   0.815 -13.572  -4.237
  194    HH   TYR  31           HH       TYR  31  -1.879 -14.779  -2.684
  195    H    TYR  32           H        TYR  32   2.640  -7.427  -3.172
  196    HA   TYR  32           HA       TYR  32   2.904  -5.600  -0.924
  197    HB2  TYR  32           HB2      TYR  32   4.970  -6.832  -1.495
  198    HB3  TYR  32           HB3      TYR  32   4.943  -6.097  -3.096
  199    HD1  TYR  32           HD1      TYR  32   6.016  -4.047  -3.439
  200    HD2  TYR  32           HD2      TYR  32   4.990  -5.232   0.510
  201    HE1  TYR  32           HE1      TYR  32   7.200  -2.086  -2.542
  202    HE2  TYR  32           HE2      TYR  32   6.178  -3.279   1.413
  203    HH   TYR  32           HH       TYR  32   8.003  -1.772   0.694
  204    H    SER  33           H        SER  33   1.918  -3.771  -1.121
  205    HA   SER  33           HA       SER  33   2.049  -2.331  -3.675
  206    HB2  SER  33           HB2      SER  33  -0.206  -2.242  -1.643
  207    HB3  SER  33           HB3      SER  33  -0.170  -1.427  -3.205
  208    HG   SER  33           HG       SER  33  -1.360  -3.505  -3.007
  209    H    GLN  34           H        GLN  34   2.716  -0.179  -3.399
  210    HA   GLN  34           HA       GLN  34   3.361   0.564  -0.631
  211    HB2  GLN  34           HB2      GLN  34   5.388  -0.268  -1.661
  212    HB3  GLN  34           HB3      GLN  34   5.148   0.773  -3.055
  213    HG2  GLN  34           HG2      GLN  34   5.417   2.741  -1.596
  214    HG3  GLN  34           HG3      GLN  34   5.717   1.664  -0.243
  215   HE21  GLN  34          HE21      GLN  34   7.350  -0.201  -1.668
  216   HE22  GLN  34          HE22      GLN  34   8.820   0.580  -2.053
  217    H    CYS  35           H        CYS  35   3.024   2.677  -0.110
  218    HA   CYS  35           HA       CYS  35   1.640   4.354  -1.965
  219    HB2  CYS  35           HB2      CYS  35   2.893   5.137   0.680
  220    HB3  CYS  35           HB3      CYS  35   1.705   6.066  -0.224
  221    H    LEU  36           H        LEU  36   2.587   5.183  -3.574
  222    HA   LEU  36           HA       LEU  36   5.200   6.440  -3.322
  223    HB2  LEU  36           HB2      LEU  36   4.048   4.835  -5.608
  224    HB3  LEU  36           HB3      LEU  36   5.473   5.841  -5.750
  225    HG   LEU  36           HG       LEU  36   5.297   3.511  -3.840
  226   HD11  LEU  36          HD11      LEU  36   6.492   3.621  -6.603
  227   HD12  LEU  36          HD12      LEU  36   5.032   2.736  -6.152
  228   HD13  LEU  36          HD13      LEU  36   6.592   2.263  -5.479
  229   HD21  LEU  36          HD21      LEU  36   7.605   5.111  -4.934
  230   HD22  LEU  36          HD22      LEU  36   7.726   3.718  -3.857
  231   HD23  LEU  36          HD23      LEU  36   6.960   5.201  -3.293
  232    H1   MAN 101           H1       MAN 101   3.444   8.559   7.455
  233    H2   MAN 101           H2       MAN 101   0.962  10.105   6.673
  234    H3   MAN 101           H3       MAN 101   2.092  11.964   7.419
  235    H4   MAN 101           H4       MAN 101   3.702  10.062   9.157
  236    H5   MAN 101           H5       MAN 101   4.694  11.895   6.897
  237    H61  MAN 101           H61      MAN 101   5.600   9.191   7.997
  238    H62  MAN 101           H62      MAN 101   6.423  10.748   8.257
  239    HO2  MAN 101           HO2      MAN 101   0.887   8.174   7.858
  240    HO3  MAN 101           HO3      MAN 101   1.435  10.570   9.822
  241    HO4  MAN 101           HO4      MAN 101   4.873  11.951   9.667
  242    HO6  MAN 101           HO6      MAN 101   6.933  10.856   6.092
  Start of MODEL    9
    1    H1   THR   1           H1       THR   1  -3.899   8.137   8.449
    2    H2   THR   1           H2       THR   1  -2.252   8.457   8.262
    3    H3   THR   1           H3       THR   1  -2.737   7.032   9.020
    4    HA   THR   1           HA       THR   1  -3.719   6.310   6.924
    5    HB   THR   1           HB       THR   1  -2.896   7.638   4.910
    6    HG1  THR   1           HG1      THR   1  -2.811  10.040   6.107
    7   HG21  THR   1          HG21      THR   1  -4.859   9.016   6.747
    8   HG22  THR   1          HG22      THR   1  -5.247   7.697   5.648
    9   HG23  THR   1          HG23      THR   1  -4.738   9.252   5.007
   10    H    GLN   2           H        GLN   2  -2.195   5.569   5.029
   11    HA   GLN   2           HA       GLN   2   0.239   4.649   6.282
   12    HB2  GLN   2           HB2      GLN   2  -1.320   3.156   4.942
   13    HB3  GLN   2           HB3      GLN   2  -0.841   4.059   3.513
   14    HG2  GLN   2           HG2      GLN   2   0.374   1.930   3.735
   15    HG3  GLN   2           HG3      GLN   2   1.453   3.321   3.775
   16   HE21  GLN   2          HE21      GLN   2  -0.050   0.839   5.652
   17   HE22  GLN   2          HE22      GLN   2   0.972   0.957   7.028
   18    H    SER   3           H        SER   3   2.304   5.039   5.306
   19    HA   SER   3           HA       SER   3   2.278   7.579   3.850
   20    HB2  SER   3           HB2      SER   3   2.960   7.760   6.186
   21    HB3  SER   3           HB3      SER   3   4.232   6.572   5.890
   22    H    HIS   4           H        HIS   4   4.698   7.931   2.998
   23    HA   HIS   4           HA       HIS   4   4.960   6.266   0.754
   24    HB2  HIS   4           HB2      HIS   4   5.831   8.579   0.841
   25    HB3  HIS   4           HB3      HIS   4   7.038   8.064   2.012
   26    HD1  HIS   4           HD1      HIS   4   9.198   6.989   1.087
   27    HD2  HIS   4           HD2      HIS   4   6.278   7.641  -1.802
   28    HE1  HIS   4           HE1      HIS   4  10.283   6.472  -1.096
   29    HE2  HIS   4           HE2      HIS   4   8.597   7.187  -2.812
   30    H    ALA   5           H        ALA   5   6.102   4.504   0.349
   31    HA   ALA   5           HA       ALA   5   7.489   2.755   0.483
   32    HB1  ALA   5           HB1      ALA   5   9.274   4.226   1.337
   33    HB2  ALA   5           HB2      ALA   5   9.350   2.620   2.072
   34    HB3  ALA   5           HB3      ALA   5   8.685   3.976   2.980
   35    H    GLY   6           H        GLY   6   5.119   3.479   2.590
   36    HA2  GLY   6           HA2      GLY   6   5.336   1.060   4.162
   37    HA3  GLY   6           HA3      GLY   6   4.083   2.292   4.271
   38    H    GLN   7           H        GLN   7   4.115  -0.720   3.871
   39    HA   GLN   7           HA       GLN   7   2.891  -1.175   1.361
   40    HB2  GLN   7           HB2      GLN   7   3.922  -2.992   2.684
   41    HB3  GLN   7           HB3      GLN   7   2.701  -2.776   3.928
   42    HG2  GLN   7           HG2      GLN   7   0.979  -3.528   2.444
   43    HG3  GLN   7           HG3      GLN   7   2.095  -3.623   1.087
   44   HE21  GLN   7          HE21      GLN   7   0.484  -5.761   2.196
   45   HE22  GLN   7          HE22      GLN   7   1.591  -6.963   2.738
   46    H    CYS   8           H        CYS   8   1.063  -0.355   0.780
   47    HA   CYS   8           HA       CYS   8  -0.783   0.667   2.756
   48    HB2  CYS   8           HB2      CYS   8  -1.970   1.584   0.755
   49    HB3  CYS   8           HB3      CYS   8  -0.313   2.147   0.969
   50    H    GLY   9           H        GLY   9  -0.830  -1.849   0.269
   51    HA2  GLY   9           HA2      GLY   9  -2.807  -3.276   1.647
   52    HA3  GLY   9           HA3      GLY   9  -3.607  -2.231   0.489
   53    H    GLY  10           H        GLY  10  -1.643  -4.973   0.948
   54    HA2  GLY  10           HA2      GLY  10  -2.013  -5.657  -1.882
   55    HA3  GLY  10           HA3      GLY  10  -0.710  -6.301  -0.866
   56    H    ILE  11           H        ILE  11  -2.197  -8.185  -2.006
   57    HA   ILE  11           HA       ILE  11  -4.539  -8.918  -0.641
   58    HB   ILE  11           HB       ILE  11  -2.493 -10.764  -1.932
   59   HG12  ILE  11          HG12      ILE  11  -4.993  -9.514  -3.111
   60   HG13  ILE  11          HG13      ILE  11  -3.343  -9.022  -3.473
   61   HG21  ILE  11          HG21      ILE  11  -4.370 -12.342  -2.152
   62   HG22  ILE  11          HG22      ILE  11  -5.409 -11.222  -1.271
   63   HG23  ILE  11          HG23      ILE  11  -4.029 -11.965  -0.462
   64   HD11  ILE  11          HD11      ILE  11  -4.577 -11.702  -4.088
   65   HD12  ILE  11          HD12      ILE  11  -2.917 -11.237  -4.443
   66   HD13  ILE  11          HD13      ILE  11  -4.257 -10.412  -5.248
   67    H    GLY  12           H        GLY  12  -4.705  -9.219   1.498
   68    HA2  GLY  12           HA2      GLY  12  -4.265 -10.837   3.258
   69    HA3  GLY  12           HA3      GLY  12  -2.566 -10.731   2.828
   70    H    TYR  13           H        TYR  13  -3.112  -7.733   2.441
   71    HA   TYR  13           HA       TYR  13  -2.234  -7.090   5.120
   72    HB2  TYR  13           HB2      TYR  13  -1.115  -6.117   3.122
   73    HB3  TYR  13           HB3      TYR  13  -2.600  -5.248   2.750
   74    HD1  TYR  13           HD1      TYR  13   0.061  -5.613   5.300
   75    HD2  TYR  13           HD2      TYR  13  -3.052  -3.164   3.769
   76    HE1  TYR  13           HE1      TYR  13   0.791  -3.780   6.757
   77    HE2  TYR  13           HE2      TYR  13  -2.329  -1.327   5.217
   78    HH   TYR  13           HH       TYR  13   0.635  -1.372   6.814
   79    H    SER  14           H        SER  14  -3.536  -6.511   6.703
   80    HA   SER  14           HA       SER  14  -6.297  -5.813   6.098
   81    HB2  SER  14           HB2      SER  14  -6.479  -6.427   8.548
   82    HB3  SER  14           HB3      SER  14  -6.051  -7.729   7.425
   83    HG   SER  14           HG       SER  14  -4.573  -7.924   8.979
   84    H    GLY  15           H        GLY  15  -3.635  -4.035   6.535
   85    HA2  GLY  15           HA2      GLY  15  -4.497  -2.402   8.795
   86    HA3  GLY  15           HA3      GLY  15  -2.990  -2.235   7.908
   87    HA   PRO  16           HA       PRO  16  -5.699   1.279   6.629
   88    HB2  PRO  16           HB2      PRO  16  -3.725   3.145   6.550
   89    HB3  PRO  16           HB3      PRO  16  -4.582   2.729   8.041
   90    HG2  PRO  16           HG2      PRO  16  -1.899   1.818   7.083
   91    HG3  PRO  16           HG3      PRO  16  -2.401   2.299   8.711
   92    HD2  PRO  16           HD2      PRO  16  -2.152  -0.290   7.933
   93    HD3  PRO  16           HD3      PRO  16  -3.312   0.235   9.172
   94    H    THR  17           H        THR  17  -6.176   1.016   4.550
   95    HA   THR  17           HA       THR  17  -4.105   0.512   2.618
   96    HB   THR  17           HB       THR  17  -6.142   0.204   1.092
   97    HG1  THR  17           HG1      THR  17  -7.824  -0.327   3.090
   98   HG21  THR  17          HG21      THR  17  -4.936  -1.687   2.105
   99   HG22  THR  17          HG22      THR  17  -6.672  -2.004   2.070
  100   HG23  THR  17          HG23      THR  17  -5.897  -1.514   3.574
  101    H    VAL  18           H        VAL  18  -5.427   3.182   3.887
  102    HA   VAL  18           HA       VAL  18  -5.413   4.692   1.395
  103    HB   VAL  18           HB       VAL  18  -7.416   5.096   2.671
  104   HG11  VAL  18          HG11      VAL  18  -5.643   5.803   5.002
  105   HG12  VAL  18          HG12      VAL  18  -6.739   4.436   4.883
  106   HG13  VAL  18          HG13      VAL  18  -7.385   6.075   4.947
  107   HG21  VAL  18          HG21      VAL  18  -7.321   7.537   3.012
  108   HG22  VAL  18          HG22      VAL  18  -6.517   7.046   1.521
  109   HG23  VAL  18          HG23      VAL  18  -5.560   7.457   2.942
  110    H    CYS  19           H        CYS  19  -3.718   5.767   0.830
  111    HA   CYS  19           HA       CYS  19  -1.499   6.149   2.631
  112    HB2  CYS  19           HB2      CYS  19  -1.805   6.883  -0.297
  113    HB3  CYS  19           HB3      CYS  19  -0.315   6.898   0.634
  114    H    ALA  20           H        ALA  20  -0.433   8.239   2.732
  115    HA   ALA  20           HA       ALA  20  -2.101  10.411   3.355
  116    HB1  ALA  20           HB1      ALA  20   0.855  10.348   2.737
  117    HB2  ALA  20           HB2      ALA  20   0.125  10.112   4.324
  118    HB3  ALA  20           HB3      ALA  20   0.000  11.677   3.519
  119    H    SER  21           H        SER  21  -2.541  12.333   2.142
  120    HA   SER  21           HA       SER  21  -2.732  12.049  -0.626
  121    HB2  SER  21           HB2      SER  21  -2.813  14.589   1.027
  122    HB3  SER  21           HB3      SER  21  -3.393  14.424  -0.630
  123    HG   SER  21           HG       SER  21  -4.757  12.668   0.287
  124    H    GLY  22           H        GLY  22  -1.396  12.592  -2.266
  125    HA2  GLY  22           HA2      GLY  22   0.510  13.822  -3.126
  126    HA3  GLY  22           HA3      GLY  22   1.227  13.711  -1.522
  127    H    THR  23           H        THR  23  -0.019  10.871  -1.539
  128    HA   THR  23           HA       THR  23   1.934   9.612  -3.321
  129    HB   THR  23           HB       THR  23   2.192   7.760  -1.650
  130    HG1  THR  23           HG1      THR  23   0.434   9.387  -0.156
  131   HG21  THR  23          HG21      THR  23   3.661   8.944  -0.070
  132   HG22  THR  23          HG22      THR  23   2.963  10.480  -0.585
  133   HG23  THR  23          HG23      THR  23   3.894   9.508  -1.726
  134    H    THR  24           H        THR  24   1.226   7.491  -4.121
  135    HA   THR  24           HA       THR  24  -1.657   7.109  -3.797
  136    HB   THR  24           HB       THR  24  -1.602   6.099  -6.124
  137    HG1  THR  24           HG1      THR  24   1.065   6.633  -5.892
  138   HG21  THR  24          HG21      THR  24  -0.851   9.018  -5.950
  139   HG22  THR  24          HG22      THR  24  -2.477   8.368  -5.759
  140   HG23  THR  24          HG23      THR  24  -1.654   8.248  -7.315
  141    H    CYS  25           H        CYS  25  -2.366   4.983  -3.477
  142    HA   CYS  25           HA       CYS  25  -0.374   3.146  -2.557
  143    HB2  CYS  25           HB2      CYS  25  -2.622   3.211  -1.504
  144    HB3  CYS  25           HB3      CYS  25  -3.354   2.738  -3.032
  145    H    GLN  26           H        GLN  26   0.946   2.429  -4.114
  146    HA   GLN  26           HA       GLN  26  -0.268   1.632  -6.633
  147    HB2  GLN  26           HB2      GLN  26   2.662   1.908  -5.962
  148    HB3  GLN  26           HB3      GLN  26   1.981   1.620  -7.554
  149    HG2  GLN  26           HG2      GLN  26   0.777   3.852  -7.247
  150    HG3  GLN  26           HG3      GLN  26   1.872   4.114  -5.893
  151   HE21  GLN  26          HE21      GLN  26   2.913   5.841  -6.876
  152   HE22  GLN  26          HE22      GLN  26   3.983   5.612  -8.220
  153    H    VAL  27           H        VAL  27  -0.729  -0.360  -6.932
  154    HA   VAL  27           HA       VAL  27   0.226  -2.415  -5.182
  155    HB   VAL  27           HB       VAL  27  -1.390  -2.693  -7.737
  156   HG11  VAL  27          HG11      VAL  27  -2.145  -4.825  -6.799
  157   HG12  VAL  27          HG12      VAL  27  -1.108  -4.573  -5.400
  158   HG13  VAL  27          HG13      VAL  27  -0.392  -4.788  -7.000
  159   HG21  VAL  27          HG21      VAL  27  -2.536  -1.206  -6.185
  160   HG22  VAL  27          HG22      VAL  27  -2.382  -2.401  -4.901
  161   HG23  VAL  27          HG23      VAL  27  -3.390  -2.744  -6.311
  162    H    LEU  28           H        LEU  28   2.334  -2.602  -5.460
  163    HA   LEU  28           HA       LEU  28   3.620  -2.620  -8.015
  164    HB2  LEU  28           HB2      LEU  28   4.680  -3.393  -5.289
  165    HB3  LEU  28           HB3      LEU  28   5.672  -3.134  -6.701
  166    HG   LEU  28           HG       LEU  28   4.068  -1.051  -5.220
  167   HD11  LEU  28          HD11      LEU  28   6.057  -1.738  -4.043
  168   HD12  LEU  28          HD12      LEU  28   6.242  -0.103  -4.679
  169   HD13  LEU  28          HD13      LEU  28   7.034  -1.454  -5.485
  170   HD21  LEU  28          HD21      LEU  28   4.081  -0.534  -7.600
  171   HD22  LEU  28          HD22      LEU  28   5.832  -0.744  -7.653
  172   HD23  LEU  28          HD23      LEU  28   5.129   0.579  -6.725
  173    H    ASN  29           H        ASN  29   3.680  -5.013  -5.468
  174    HA   ASN  29           HA       ASN  29   3.613  -7.139  -7.469
  175    HB2  ASN  29           HB2      ASN  29   4.229  -7.220  -4.487
  176    HB3  ASN  29           HB3      ASN  29   4.185  -8.639  -5.521
  177   HD21  ASN  29          HD21      ASN  29   6.028  -5.867  -4.531
  178   HD22  ASN  29          HD22      ASN  29   7.458  -6.262  -5.381
  179    HA   PRO  30           HA       PRO  30  -0.650  -7.957  -6.481
  180    HB2  PRO  30           HB2      PRO  30  -0.070 -10.763  -5.704
  181    HB3  PRO  30           HB3      PRO  30  -1.155 -10.151  -6.956
  182    HG2  PRO  30           HG2      PRO  30   1.148 -11.297  -7.635
  183    HG3  PRO  30           HG3      PRO  30   0.571  -9.854  -8.494
  184    HD2  PRO  30           HD2      PRO  30   2.623 -10.082  -6.334
  185    HD3  PRO  30           HD3      PRO  30   2.704  -9.146  -7.852
  186    H    TYR  31           H        TYR  31   1.701  -9.169  -4.199
  187    HA   TYR  31           HA       TYR  31  -0.256  -8.888  -2.044
  188    HB2  TYR  31           HB2      TYR  31   2.420 -10.283  -2.112
  189    HB3  TYR  31           HB3      TYR  31   1.437 -10.112  -0.661
  190    HD1  TYR  31           HD1      TYR  31  -0.239 -11.672  -0.188
  191    HD2  TYR  31           HD2      TYR  31   1.404 -11.537  -4.105
  192    HE1  TYR  31           HE1      TYR  31  -1.467 -13.717  -0.766
  193    HE2  TYR  31           HE2      TYR  31   0.189 -13.569  -4.702
  194    HH   TYR  31           HH       TYR  31  -2.284 -14.868  -2.653
  195    H    TYR  32           H        TYR  32   2.681  -7.460  -3.291
  196    HA   TYR  32           HA       TYR  32   2.749  -5.819  -0.873
  197    HB2  TYR  32           HB2      TYR  32   4.875  -7.013  -1.514
  198    HB3  TYR  32           HB3      TYR  32   4.947  -5.970  -2.934
  199    HD1  TYR  32           HD1      TYR  32   5.635  -3.655  -2.735
  200    HD2  TYR  32           HD2      TYR  32   5.117  -6.067   0.733
  201    HE1  TYR  32           HE1      TYR  32   6.747  -1.939  -1.366
  202    HE2  TYR  32           HE2      TYR  32   6.225  -4.353   2.097
  203    HH   TYR  32           HH       TYR  32   7.763  -2.528   1.828
  204    H    SER  33           H        SER  33   1.712  -3.988  -1.037
  205    HA   SER  33           HA       SER  33   1.918  -2.458  -3.534
  206    HB2  SER  33           HB2      SER  33  -0.316  -2.367  -1.492
  207    HB3  SER  33           HB3      SER  33  -0.288  -1.564  -3.060
  208    HG   SER  33           HG       SER  33  -1.458  -3.649  -2.795
  209    H    GLN  34           H        GLN  34   2.436  -0.241  -3.192
  210    HA   GLN  34           HA       GLN  34   3.172   0.437  -0.442
  211    HB2  GLN  34           HB2      GLN  34   5.107  -0.603  -1.428
  212    HB3  GLN  34           HB3      GLN  34   4.985   0.411  -2.846
  213    HG2  GLN  34           HG2      GLN  34   5.617   2.345  -1.575
  214    HG3  GLN  34           HG3      GLN  34   5.604   1.396  -0.082
  215   HE21  GLN  34          HE21      GLN  34   7.288  -0.060   0.319
  216   HE22  GLN  34          HE22      GLN  34   8.734  -0.020  -0.596
  217    H    CYS  35           H        CYS  35   2.991   2.566   0.036
  218    HA   CYS  35           HA       CYS  35   1.587   4.262  -1.775
  219    HB2  CYS  35           HB2      CYS  35   2.910   4.958   0.851
  220    HB3  CYS  35           HB3      CYS  35   1.771   5.973  -0.017
  221    H    LEU  36           H        LEU  36   2.493   5.148  -3.426
  222    HA   LEU  36           HA       LEU  36   5.053   6.511  -3.186
  223    HB2  LEU  36           HB2      LEU  36   4.164   4.765  -5.495
  224    HB3  LEU  36           HB3      LEU  36   5.623   5.721  -5.448
  225    HG   LEU  36           HG       LEU  36   5.069   3.358  -3.645
  226   HD11  LEU  36          HD11      LEU  36   6.808   3.583  -6.090
  227   HD12  LEU  36          HD12      LEU  36   5.293   2.686  -5.978
  228   HD13  LEU  36          HD13      LEU  36   6.694   2.179  -5.028
  229   HD21  LEU  36          HD21      LEU  36   7.452   3.517  -3.126
  230   HD22  LEU  36          HD22      LEU  36   6.599   4.990  -2.667
  231   HD23  LEU  36          HD23      LEU  36   7.579   4.959  -4.134
  232    H1   MAN 101           H1       MAN 101   5.460   8.373   6.883
  233    H2   MAN 101           H2       MAN 101   3.440  10.506   5.975
  234    H3   MAN 101           H3       MAN 101   4.901  12.019   6.814
  235    H4   MAN 101           H4       MAN 101   5.917   9.804   8.676
  236    H5   MAN 101           H5       MAN 101   7.535  11.253   6.527
  237    H61  MAN 101           H61      MAN 101   8.613   9.019   6.314
  238    H62  MAN 101           H62      MAN 101   7.533   8.348   7.554
  239    HO2  MAN 101           HO2      MAN 101   2.635  10.072   8.048
  240    HO3  MAN 101           HO3      MAN 101   4.332  12.374   9.025
  241    HO4  MAN 101           HO4      MAN 101   6.043  11.904   9.595
  242    HO6  MAN 101           HO6      MAN 101   9.777   9.959   7.837
  Start of MODEL   10
    1    H1   THR   1           H1       THR   1  -0.716   8.134   9.079
    2    H2   THR   1           H2       THR   1  -1.247   6.686   9.699
    3    H3   THR   1           H3       THR   1  -2.313   8.026   9.613
    4    HA   THR   1           HA       THR   1  -2.751   6.401   7.848
    5    HB   THR   1           HB       THR   1  -1.515   9.001   6.840
    6    HG1  THR   1           HG1      THR   1  -4.189   8.617   7.672
    7   HG21  THR   1          HG21      THR   1  -3.299   8.910   5.160
    8   HG22  THR   1          HG22      THR   1  -3.910   7.421   5.869
    9   HG23  THR   1          HG23      THR   1  -2.329   7.439   5.083
   10    H    GLN   2           H        GLN   2  -1.832   5.460   5.739
   11    HA   GLN   2           HA       GLN   2   0.910   4.730   6.226
   12    HB2  GLN   2           HB2      GLN   2  -0.895   3.132   5.316
   13    HB3  GLN   2           HB3      GLN   2  -0.768   4.022   3.805
   14    HG2  GLN   2           HG2      GLN   2   0.613   2.092   3.598
   15    HG3  GLN   2           HG3      GLN   2   1.675   3.487   3.762
   16   HE21  GLN   2          HE21      GLN   2  -0.071   1.901   6.367
   17   HE22  GLN   2          HE22      GLN   2   1.331   1.302   7.186
   18    H    SER   3           H        SER   3   2.604   5.537   5.087
   19    HA   SER   3           HA       SER   3   1.943   7.588   3.129
   20    HB2  SER   3           HB2      SER   3   3.849   7.771   5.460
   21    HB3  SER   3           HB3      SER   3   3.746   8.975   4.165
   22    H    HIS   4           H        HIS   4   4.630   8.352   2.625
   23    HA   HIS   4           HA       HIS   4   5.089   6.785   0.413
   24    HB2  HIS   4           HB2      HIS   4   5.959   9.042   0.622
   25    HB3  HIS   4           HB3      HIS   4   7.096   8.523   1.859
   26    HD1  HIS   4           HD1      HIS   4   9.329   7.625   1.050
   27    HD2  HIS   4           HD2      HIS   4   6.535   8.003  -2.010
   28    HE1  HIS   4           HE1      HIS   4  10.579   7.183  -1.056
   29    HE2  HIS   4           HE2      HIS   4   8.963   7.794  -2.857
   30    H    ALA   5           H        ALA   5   5.992   4.992  -0.048
   31    HA   ALA   5           HA       ALA   5   7.291   3.185  -0.128
   32    HB1  ALA   5           HB1      ALA   5   9.193   4.658   0.396
   33    HB2  ALA   5           HB2      ALA   5   9.408   3.043   1.074
   34    HB3  ALA   5           HB3      ALA   5   8.915   4.384   2.113
   35    H    GLY   6           H        GLY   6   5.104   3.706   2.015
   36    HA2  GLY   6           HA2      GLY   6   5.632   1.338   3.633
   37    HA3  GLY   6           HA3      GLY   6   4.354   2.526   3.894
   38    H    GLN   7           H        GLN   7   3.704  -0.099   3.942
   39    HA   GLN   7           HA       GLN   7   2.802  -0.886   1.298
   40    HB2  GLN   7           HB2      GLN   7   3.802  -2.580   2.782
   41    HB3  GLN   7           HB3      GLN   7   2.520  -2.293   3.947
   42    HG2  GLN   7           HG2      GLN   7   0.873  -3.128   2.426
   43    HG3  GLN   7           HG3      GLN   7   2.071  -3.330   1.149
   44   HE21  GLN   7          HE21      GLN   7   0.366  -5.362   2.287
   45   HE22  GLN   7          HE22      GLN   7   1.403  -6.536   2.984
   46    H    CYS   8           H        CYS   8   0.998  -0.078   0.601
   47    HA   CYS   8           HA       CYS   8  -0.975   0.958   2.443
   48    HB2  CYS   8           HB2      CYS   8  -2.179   1.632   0.391
   49    HB3  CYS   8           HB3      CYS   8  -0.555   2.298   0.532
   50    H    GLY   9           H        GLY   9  -0.854  -1.703   0.099
   51    HA2  GLY   9           HA2      GLY   9  -2.506  -3.329   1.553
   52    HA3  GLY   9           HA3      GLY   9  -3.591  -2.281   0.649
   53    H    GLY  10           H        GLY  10  -1.566  -4.960   0.620
   54    HA2  GLY  10           HA2      GLY  10  -2.249  -5.434  -2.185
   55    HA3  GLY  10           HA3      GLY  10  -0.858  -6.156  -1.363
   56    H    ILE  11           H        ILE  11  -2.081  -8.154  -2.189
   57    HA   ILE  11           HA       ILE  11  -4.481  -8.902  -0.958
   58    HB   ILE  11           HB       ILE  11  -2.269 -10.728  -1.955
   59   HG12  ILE  11          HG12      ILE  11  -4.760  -9.754  -3.375
   60   HG13  ILE  11          HG13      ILE  11  -3.132  -9.155  -3.665
   61   HG21  ILE  11          HG21      ILE  11  -5.195 -11.293  -1.435
   62   HG22  ILE  11          HG22      ILE  11  -3.836 -11.887  -0.484
   63   HG23  ILE  11          HG23      ILE  11  -4.044 -12.420  -2.156
   64   HD11  ILE  11          HD11      ILE  11  -2.453 -11.378  -4.423
   65   HD12  ILE  11          HD12      ILE  11  -3.798 -10.745  -5.371
   66   HD13  ILE  11          HD13      ILE  11  -4.089 -11.972  -4.136
   67    H    GLY  12           H        GLY  12  -4.892  -9.336   1.095
   68    HA2  GLY  12           HA2      GLY  12  -4.597 -10.719   3.006
   69    HA3  GLY  12           HA3      GLY  12  -2.876 -10.775   2.664
   70    H    TYR  13           H        TYR  13  -3.586  -7.661   2.238
   71    HA   TYR  13           HA       TYR  13  -2.762  -7.035   4.976
   72    HB2  TYR  13           HB2      TYR  13  -1.466  -6.107   3.045
   73    HB3  TYR  13           HB3      TYR  13  -2.896  -5.216   2.558
   74    HD1  TYR  13           HD1      TYR  13  -3.259  -3.053   3.402
   75    HD2  TYR  13           HD2      TYR  13  -0.501  -5.610   5.387
   76    HE1  TYR  13           HE1      TYR  13  -2.525  -1.174   4.791
   77    HE2  TYR  13           HE2      TYR  13   0.226  -3.729   6.798
   78    HH   TYR  13           HH       TYR  13  -1.496  -0.738   6.806
   79    H    SER  14           H        SER  14  -4.313  -6.600   6.396
   80    HA   SER  14           HA       SER  14  -6.854  -5.564   5.403
   81    HB2  SER  14           HB2      SER  14  -7.685  -6.461   7.596
   82    HB3  SER  14           HB3      SER  14  -7.091  -7.678   6.460
   83    HG   SER  14           HG       SER  14  -6.081  -6.829   8.897
   84    H    GLY  15           H        GLY  15  -4.119  -4.448   6.774
   85    HA2  GLY  15           HA2      GLY  15  -5.156  -2.801   8.879
   86    HA3  GLY  15           HA3      GLY  15  -3.545  -2.723   8.179
   87    HA   PRO  16           HA       PRO  16  -5.749   1.174   7.024
   88    HB2  PRO  16           HB2      PRO  16  -3.452   2.704   7.016
   89    HB3  PRO  16           HB3      PRO  16  -4.497   2.489   8.424
   90    HG2  PRO  16           HG2      PRO  16  -1.934   1.117   7.733
   91    HG3  PRO  16           HG3      PRO  16  -2.528   1.664   9.312
   92    HD2  PRO  16           HD2      PRO  16  -2.606  -0.922   8.546
   93    HD3  PRO  16           HD3      PRO  16  -3.837  -0.218   9.607
   94    H    THR  17           H        THR  17  -6.250   0.894   4.962
   95    HA   THR  17           HA       THR  17  -4.200   0.367   2.980
   96    HB   THR  17           HB       THR  17  -6.343   0.047   1.564
   97    HG1  THR  17           HG1      THR  17  -8.097   0.526   2.667
   98   HG21  THR  17          HG21      THR  17  -4.900  -1.807   2.302
   99   HG22  THR  17          HG22      THR  17  -6.600  -2.262   2.414
  100   HG23  THR  17          HG23      THR  17  -5.709  -1.815   3.869
  101    H    VAL  18           H        VAL  18  -4.969   3.064   4.235
  102    HA   VAL  18           HA       VAL  18  -5.424   4.438   1.699
  103    HB   VAL  18           HB       VAL  18  -7.257   4.846   3.253
  104   HG11  VAL  18          HG11      VAL  18  -5.195   5.928   5.151
  105   HG12  VAL  18          HG12      VAL  18  -6.194   4.490   5.377
  106   HG13  VAL  18          HG13      VAL  18  -6.938   6.090   5.351
  107   HG21  VAL  18          HG21      VAL  18  -6.692   6.660   1.745
  108   HG22  VAL  18          HG22      VAL  18  -5.515   7.286   2.900
  109   HG23  VAL  18          HG23      VAL  18  -7.234   7.317   3.290
  110    H    CYS  19           H        CYS  19  -3.868   5.623   0.929
  111    HA   CYS  19           HA       CYS  19  -1.460   6.074   2.476
  112    HB2  CYS  19           HB2      CYS  19  -2.111   6.760  -0.401
  113    HB3  CYS  19           HB3      CYS  19  -0.536   6.909   0.358
  114    H    ALA  20           H        ALA  20  -0.638   8.106   2.845
  115    HA   ALA  20           HA       ALA  20  -2.509  10.171   3.363
  116    HB1  ALA  20           HB1      ALA  20  -0.473   9.840   4.665
  117    HB2  ALA  20           HB2      ALA  20  -0.586  11.491   4.042
  118    HB3  ALA  20           HB3      ALA  20   0.501  10.324   3.278
  119    H    SER  21           H        SER  21  -2.596  12.270   2.413
  120    HA   SER  21           HA       SER  21  -2.788  12.287  -0.323
  121    HB2  SER  21           HB2      SER  21  -2.436  14.601   1.571
  122    HB3  SER  21           HB3      SER  21  -3.136  14.695  -0.047
  123    HG   SER  21           HG       SER  21  -4.708  13.108   0.738
  124    H    GLY  22           H        GLY  22  -1.413  12.607  -1.912
  125    HA2  GLY  22           HA2      GLY  22   0.502  13.760  -2.833
  126    HA3  GLY  22           HA3      GLY  22   1.289  13.573  -1.267
  127    H    THR  23           H        THR  23  -0.019  10.784  -1.213
  128    HA   THR  23           HA       THR  23   1.869   9.522  -3.049
  129    HB   THR  23           HB       THR  23   2.122   7.663  -1.421
  130    HG1  THR  23           HG1      THR  23   0.328   9.258   0.068
  131   HG21  THR  23          HG21      THR  23   2.888  10.378  -0.343
  132   HG22  THR  23          HG22      THR  23   3.820   9.400  -1.476
  133   HG23  THR  23          HG23      THR  23   3.580   8.844   0.181
  134    H    THR  24           H        THR  24   1.189   7.625  -4.058
  135    HA   THR  24           HA       THR  24  -1.684   7.140  -3.857
  136    HB   THR  24           HB       THR  24  -1.464   6.298  -6.237
  137    HG1  THR  24           HG1      THR  24   1.166   7.272  -5.843
  138   HG21  THR  24          HG21      THR  24  -2.405   8.514  -5.767
  139   HG22  THR  24          HG22      THR  24  -1.453   8.544  -7.252
  140   HG23  THR  24          HG23      THR  24  -0.784   9.207  -5.762
  141    H    CYS  25           H        CYS  25  -2.379   5.004  -3.797
  142    HA   CYS  25           HA       CYS  25  -0.463   3.112  -2.803
  143    HB2  CYS  25           HB2      CYS  25  -2.742   3.224  -1.837
  144    HB3  CYS  25           HB3      CYS  25  -3.426   2.798  -3.401
  145    H    GLN  26           H        GLN  26   0.841   2.221  -4.244
  146    HA   GLN  26           HA       GLN  26  -0.279   1.439  -6.830
  147    HB2  GLN  26           HB2      GLN  26   2.553   2.101  -6.048
  148    HB3  GLN  26           HB3      GLN  26   2.062   1.520  -7.636
  149    HG2  GLN  26           HG2      GLN  26   0.641   3.485  -7.905
  150    HG3  GLN  26           HG3      GLN  26   1.160   4.074  -6.326
  151   HE21  GLN  26          HE21      GLN  26   1.989   5.924  -7.174
  152   HE22  GLN  26          HE22      GLN  26   3.432   5.967  -8.111
  153    H    VAL  27           H        VAL  27  -0.243  -0.622  -7.368
  154    HA   VAL  27           HA       VAL  27   0.619  -2.490  -5.326
  155    HB   VAL  27           HB       VAL  27  -0.834  -3.051  -7.925
  156   HG11  VAL  27          HG11      VAL  27   0.273  -5.014  -7.053
  157   HG12  VAL  27          HG12      VAL  27  -1.471  -5.161  -6.814
  158   HG13  VAL  27          HG13      VAL  27  -0.428  -4.734  -5.460
  159   HG21  VAL  27          HG21      VAL  27  -2.129  -1.566  -6.487
  160   HG22  VAL  27          HG22      VAL  27  -1.963  -2.703  -5.149
  161   HG23  VAL  27          HG23      VAL  27  -2.868  -3.162  -6.592
  162    H    LEU  28           H        LEU  28   2.605  -3.244  -5.402
  163    HA   LEU  28           HA       LEU  28   4.032  -3.267  -7.945
  164    HB2  LEU  28           HB2      LEU  28   5.034  -3.801  -5.137
  165    HB3  LEU  28           HB3      LEU  28   6.035  -3.715  -6.569
  166    HG   LEU  28           HG       LEU  28   4.496  -1.424  -5.346
  167   HD11  LEU  28          HD11      LEU  28   6.697  -0.526  -4.819
  168   HD12  LEU  28          HD12      LEU  28   7.451  -1.983  -5.467
  169   HD13  LEU  28          HD13      LEU  28   6.430  -2.080  -4.032
  170   HD21  LEU  28          HD21      LEU  28   4.616  -1.192  -7.775
  171   HD22  LEU  28          HD22      LEU  28   6.360  -1.459  -7.726
  172   HD23  LEU  28          HD23      LEU  28   5.668  -0.020  -6.982
  173    H    ASN  29           H        ASN  29   4.010  -5.417  -5.164
  174    HA   ASN  29           HA       ASN  29   3.963  -7.725  -6.963
  175    HB2  ASN  29           HB2      ASN  29   4.326  -7.589  -3.937
  176    HB3  ASN  29           HB3      ASN  29   4.371  -9.054  -4.905
  177   HD21  ASN  29          HD21      ASN  29   6.408  -7.955  -3.163
  178   HD22  ASN  29          HD22      ASN  29   7.783  -7.683  -4.168
  179    HA   PRO  30           HA       PRO  30  -0.341  -8.448  -6.250
  180    HB2  PRO  30           HB2      PRO  30   0.265 -11.140  -5.100
  181    HB3  PRO  30           HB3      PRO  30  -0.829 -10.712  -6.422
  182    HG2  PRO  30           HG2      PRO  30   1.499 -11.838  -6.973
  183    HG3  PRO  30           HG3      PRO  30   0.912 -10.488  -7.961
  184    HD2  PRO  30           HD2      PRO  30   2.951 -10.480  -5.771
  185    HD3  PRO  30           HD3      PRO  30   3.020  -9.659  -7.342
  186    H    TYR  31           H        TYR  31   1.769  -9.473  -3.645
  187    HA   TYR  31           HA       TYR  31  -0.328  -8.934  -1.683
  188    HB2  TYR  31           HB2      TYR  31   2.412 -10.157  -1.324
  189    HB3  TYR  31           HB3      TYR  31   1.209  -9.968  -0.054
  190    HD1  TYR  31           HD1      TYR  31  -0.794 -11.368  -0.038
  191    HD2  TYR  31           HD2      TYR  31   2.187 -11.893  -3.007
  192    HE1  TYR  31           HE1      TYR  31  -1.765 -13.543  -0.612
  193    HE2  TYR  31           HE2      TYR  31   1.224 -14.075  -3.599
  194    HH   TYR  31           HH       TYR  31  -1.822 -15.029  -2.656
  195    H    TYR  32           H        TYR  32   2.623  -7.512  -2.911
  196    HA   TYR  32           HA       TYR  32   2.567  -5.660  -0.653
  197    HB2  TYR  32           HB2      TYR  32   4.735  -6.796  -0.936
  198    HB3  TYR  32           HB3      TYR  32   4.897  -6.097  -2.544
  199    HD1  TYR  32           HD1      TYR  32   4.783  -5.340   1.060
  200    HD2  TYR  32           HD2      TYR  32   5.610  -3.814  -2.822
  201    HE1  TYR  32           HE1      TYR  32   5.783  -3.333   2.066
  202    HE2  TYR  32           HE2      TYR  32   6.616  -1.808  -1.820
  203    HH   TYR  32           HH       TYR  32   7.415  -1.566   1.437
  204    H    SER  33           H        SER  33   1.539  -3.877  -1.001
  205    HA   SER  33           HA       SER  33   1.890  -2.501  -3.570
  206    HB2  SER  33           HB2      SER  33  -0.422  -2.288  -1.627
  207    HB3  SER  33           HB3      SER  33  -0.317  -1.506  -3.200
  208    HG   SER  33           HG       SER  33  -1.551  -3.522  -3.016
  209    H    GLN  34           H        GLN  34   2.328  -0.234  -3.364
  210    HA   GLN  34           HA       GLN  34   3.246   0.515  -0.677
  211    HB2  GLN  34           HB2      GLN  34   5.084  -0.434  -1.940
  212    HB3  GLN  34           HB3      GLN  34   4.787   0.686  -3.255
  213    HG2  GLN  34           HG2      GLN  34   5.450   2.537  -1.882
  214    HG3  GLN  34           HG3      GLN  34   5.612   1.478  -0.479
  215   HE21  GLN  34          HE21      GLN  34   7.320   0.031  -0.395
  216   HE22  GLN  34          HE22      GLN  34   8.716   0.228  -1.381
  217    H    CYS  35           H        CYS  35   3.097   2.652  -0.174
  218    HA   CYS  35           HA       CYS  35   1.531   4.350  -1.908
  219    HB2  CYS  35           HB2      CYS  35   2.796   4.956   0.777
  220    HB3  CYS  35           HB3      CYS  35   1.670   6.000  -0.073
  221    H    LEU  36           H        LEU  36   2.458   5.318  -3.513
  222    HA   LEU  36           HA       LEU  36   5.058   6.571  -3.114
  223    HB2  LEU  36           HB2      LEU  36   4.007   5.200  -5.589
  224    HB3  LEU  36           HB3      LEU  36   5.434   6.213  -5.577
  225    HG   LEU  36           HG       LEU  36   5.139   3.660  -3.986
  226   HD11  LEU  36          HD11      LEU  36   6.692   2.707  -5.609
  227   HD12  LEU  36          HD12      LEU  36   6.649   4.206  -6.536
  228   HD13  LEU  36          HD13      LEU  36   5.195   3.223  -6.387
  229   HD21  LEU  36          HD21      LEU  36   7.552   3.905  -3.654
  230   HD22  LEU  36          HD22      LEU  36   6.661   5.252  -2.955
  231   HD23  LEU  36          HD23      LEU  36   7.511   5.456  -4.493
  232    H1   MAN 101           H1       MAN 101   2.958   9.270   7.175
  233    H2   MAN 101           H2       MAN 101   0.481  10.762   6.117
  234    H3   MAN 101           H3       MAN 101   1.427  12.646   6.929
  235    H4   MAN 101           H4       MAN 101   3.079  10.828   8.701
  236    H5   MAN 101           H5       MAN 101   3.978  12.636   6.370
  237    H61  MAN 101           H61      MAN 101   5.803  10.983   6.195
  238    H62  MAN 101           H62      MAN 101   5.208  10.122   7.626
  239    HO2  MAN 101           HO2      MAN 101  -0.124  10.326   8.261
  240    HO3  MAN 101           HO3      MAN 101   1.024  12.755   9.212
  241    HO4  MAN 101           HO4      MAN 101   4.145  12.754   9.190
  242    HO6  MAN 101           HO6      MAN 101   6.666  12.466   7.418
  Start of MODEL   11
    1    H1   THR   1           H1       THR   1  -3.129   7.323   9.227
    2    H2   THR   1           H2       THR   1  -1.417   7.285   9.197
    3    H3   THR   1           H3       THR   1  -2.290   5.843   9.221
    4    HA   THR   1           HA       THR   1  -3.211   6.325   7.088
    5    HB   THR   1           HB       THR   1  -1.384   8.721   7.120
    6    HG1  THR   1           HG1      THR   1  -3.065   9.923   7.804
    7   HG21  THR   1          HG21      THR   1  -3.760   7.969   5.414
    8   HG22  THR   1          HG22      THR   1  -2.070   7.878   4.920
    9   HG23  THR   1          HG23      THR   1  -2.811   9.444   5.252
   10    H    GLN   2           H        GLN   2  -1.974   5.487   5.239
   11    HA   GLN   2           HA       GLN   2   0.531   4.414   6.125
   12    HB2  GLN   2           HB2      GLN   2  -1.304   3.144   4.851
   13    HB3  GLN   2           HB3      GLN   2  -0.720   3.993   3.424
   14    HG2  GLN   2           HG2      GLN   2   0.285   1.795   3.588
   15    HG3  GLN   2           HG3      GLN   2   1.504   3.057   3.779
   16   HE21  GLN   2          HE21      GLN   2   2.874   1.752   4.888
   17   HE22  GLN   2          HE22      GLN   2   2.599   1.228   6.516
   18    H    SER   3           H        SER   3   2.360   5.327   5.749
   19    HA   SER   3           HA       SER   3   2.572   7.782   4.302
   20    HB2  SER   3           HB2      SER   3   4.887   7.679   5.208
   21    HB3  SER   3           HB3      SER   3   3.626   7.492   6.442
   22    H    HIS   4           H        HIS   4   4.459   8.160   2.838
   23    HA   HIS   4           HA       HIS   4   4.548   6.567   0.558
   24    HB2  HIS   4           HB2      HIS   4   5.312   8.964   0.678
   25    HB3  HIS   4           HB3      HIS   4   6.699   8.433   1.606
   26    HD1  HIS   4           HD1      HIS   4   8.745   7.950   0.290
   27    HD2  HIS   4           HD2      HIS   4   5.325   7.868  -2.054
   28    HE1  HIS   4           HE1      HIS   4   9.547   7.609  -2.057
   29    HE2  HIS   4           HE2      HIS   4   7.495   7.934  -3.447
   30    H    ALA   5           H        ALA   5   5.778   4.869  -0.069
   31    HA   ALA   5           HA       ALA   5   7.193   3.136  -0.056
   32    HB1  ALA   5           HB1      ALA   5   9.003   4.766   0.413
   33    HB2  ALA   5           HB2      ALA   5   9.312   3.203   1.163
   34    HB3  ALA   5           HB3      ALA   5   8.734   4.550   2.141
   35    H    GLY   6           H        GLY   6   4.930   3.583   1.966
   36    HA2  GLY   6           HA2      GLY   6   5.547   1.274   3.662
   37    HA3  GLY   6           HA3      GLY   6   4.252   2.443   3.938
   38    H    GLN   7           H        GLN   7   3.775  -0.332   3.907
   39    HA   GLN   7           HA       GLN   7   2.830  -1.057   1.293
   40    HB2  GLN   7           HB2      GLN   7   3.796  -2.744   2.834
   41    HB3  GLN   7           HB3      GLN   7   2.484  -2.442   3.952
   42    HG2  GLN   7           HG2      GLN   7   0.872  -3.295   2.366
   43    HG3  GLN   7           HG3      GLN   7   2.143  -3.517   1.163
   44   HE21  GLN   7          HE21      GLN   7   0.351  -5.486   2.357
   45   HE22  GLN   7          HE22      GLN   7   1.386  -6.651   3.098
   46    H    CYS   8           H        CYS   8   1.056  -0.182   0.560
   47    HA   CYS   8           HA       CYS   8  -0.978   0.861   2.358
   48    HB2  CYS   8           HB2      CYS   8  -2.040   1.663   0.301
   49    HB3  CYS   8           HB3      CYS   8  -0.372   2.202   0.466
   50    H    GLY   9           H        GLY   9  -0.509  -2.032   0.650
   51    HA2  GLY   9           HA2      GLY   9  -2.199  -3.597   1.760
   52    HA3  GLY   9           HA3      GLY   9  -3.370  -2.524   1.010
   53    H    GLY  10           H        GLY  10  -1.298  -5.165   0.650
   54    HA2  GLY  10           HA2      GLY  10  -2.286  -5.525  -2.072
   55    HA3  GLY  10           HA3      GLY  10  -0.803  -6.258  -1.439
   56    H    ILE  11           H        ILE  11  -2.113  -8.261  -2.193
   57    HA   ILE  11           HA       ILE  11  -4.408  -9.101  -0.820
   58    HB   ILE  11           HB       ILE  11  -2.184 -10.799  -2.013
   59   HG12  ILE  11          HG12      ILE  11  -4.830  -9.945  -3.213
   60   HG13  ILE  11          HG13      ILE  11  -3.270  -9.240  -3.614
   61   HG21  ILE  11          HG21      ILE  11  -5.004 -11.568  -1.282
   62   HG22  ILE  11          HG22      ILE  11  -3.534 -12.104  -0.467
   63   HG23  ILE  11          HG23      ILE  11  -3.848 -12.595  -2.132
   64   HD11  ILE  11          HD11      ILE  11  -4.099 -12.096  -4.099
   65   HD12  ILE  11          HD12      ILE  11  -2.528 -11.398  -4.490
   66   HD13  ILE  11          HD13      ILE  11  -3.975 -10.820  -5.310
   67    H    GLY  12           H        GLY  12  -4.599  -9.322   1.326
   68    HA2  GLY  12           HA2      GLY  12  -4.108 -10.861   3.164
   69    HA3  GLY  12           HA3      GLY  12  -2.408 -10.662   2.777
   70    H    TYR  13           H        TYR  13  -3.208  -7.685   2.347
   71    HA   TYR  13           HA       TYR  13  -2.648  -6.956   5.141
   72    HB2  TYR  13           HB2      TYR  13  -1.219  -6.109   3.261
   73    HB3  TYR  13           HB3      TYR  13  -2.628  -5.272   2.637
   74    HD1  TYR  13           HD1      TYR  13  -3.222  -3.100   3.517
   75    HD2  TYR  13           HD2      TYR  13  -0.210  -5.407   5.440
   76    HE1  TYR  13           HE1      TYR  13  -2.553  -1.129   4.812
   77    HE2  TYR  13           HE2      TYR  13   0.458  -3.442   6.755
   78    HH   TYR  13           HH       TYR  13  -1.394  -0.482   6.682
   79    H    SER  14           H        SER  14  -4.214  -6.006   6.401
   80    HA   SER  14           HA       SER  14  -6.656  -5.148   5.033
   81    HB2  SER  14           HB2      SER  14  -7.867  -6.282   6.972
   82    HB3  SER  14           HB3      SER  14  -7.138  -7.312   5.736
   83    HG   SER  14           HG       SER  14  -6.216  -8.221   7.326
   84    H    GLY  15           H        GLY  15  -4.291  -3.917   6.632
   85    HA2  GLY  15           HA2      GLY  15  -5.753  -2.510   8.724
   86    HA3  GLY  15           HA3      GLY  15  -4.032  -2.374   8.387
   87    HA   PRO  16           HA       PRO  16  -5.739   1.569   6.871
   88    HB2  PRO  16           HB2      PRO  16  -3.324   2.876   6.842
   89    HB3  PRO  16           HB3      PRO  16  -4.352   2.760   8.273
   90    HG2  PRO  16           HG2      PRO  16  -1.928   1.179   7.544
   91    HG3  PRO  16           HG3      PRO  16  -2.452   1.773   9.127
   92    HD2  PRO  16           HD2      PRO  16  -2.752  -0.793   8.316
   93    HD3  PRO  16           HD3      PRO  16  -3.853  -0.015   9.477
   94    H    THR  17           H        THR  17  -6.251   1.285   4.794
   95    HA   THR  17           HA       THR  17  -4.169   0.644   2.900
   96    HB   THR  17           HB       THR  17  -6.196   0.341   1.361
   97    HG1  THR  17           HG1      THR  17  -8.053  -0.232   2.925
   98   HG21  THR  17          HG21      THR  17  -5.987  -1.393   3.833
   99   HG22  THR  17          HG22      THR  17  -4.951  -1.520   2.417
  100   HG23  THR  17          HG23      THR  17  -6.667  -1.887   2.281
  101    H    VAL  18           H        VAL  18  -5.492   3.326   4.149
  102    HA   VAL  18           HA       VAL  18  -5.524   4.835   1.687
  103    HB   VAL  18           HB       VAL  18  -7.302   5.330   3.262
  104   HG11  VAL  18          HG11      VAL  18  -6.897   6.411   5.432
  105   HG12  VAL  18          HG12      VAL  18  -5.166   6.178   5.207
  106   HG13  VAL  18          HG13      VAL  18  -6.226   4.780   5.361
  107   HG21  VAL  18          HG21      VAL  18  -6.567   7.151   1.837
  108   HG22  VAL  18          HG22      VAL  18  -5.363   7.624   3.036
  109   HG23  VAL  18          HG23      VAL  18  -7.079   7.778   3.406
  110    H    CYS  19           H        CYS  19  -3.886   5.923   0.933
  111    HA   CYS  19           HA       CYS  19  -1.417   6.003   2.408
  112    HB2  CYS  19           HB2      CYS  19  -2.103   6.842  -0.402
  113    HB3  CYS  19           HB3      CYS  19  -0.489   6.930   0.292
  114    H    ALA  20           H        ALA  20  -0.109   7.887   2.465
  115    HA   ALA  20           HA       ALA  20  -1.378  10.098   3.669
  116    HB1  ALA  20           HB1      ALA  20   1.451   9.811   2.666
  117    HB2  ALA  20           HB2      ALA  20   0.873   9.359   4.273
  118    HB3  ALA  20           HB3      ALA  20   0.866  11.051   3.777
  119    H    SER  21           H        SER  21  -1.142  12.326   2.994
  120    HA   SER  21           HA       SER  21  -2.343  12.921   0.616
  121    HB2  SER  21           HB2      SER  21  -0.580  14.645   2.345
  122    HB3  SER  21           HB3      SER  21  -1.789  15.222   1.200
  123    HG   SER  21           HG       SER  21  -3.373  14.391   2.399
  124    H    GLY  22           H        GLY  22  -1.590  12.701  -1.380
  125    HA2  GLY  22           HA2      GLY  22  -0.187  13.622  -3.095
  126    HA3  GLY  22           HA3      GLY  22   1.147  13.602  -1.949
  127    H    THR  23           H        THR  23   0.043  10.829  -1.148
  128    HA   THR  23           HA       THR  23   1.536   9.486  -3.290
  129    HB   THR  23           HB       THR  23   2.009   7.687  -1.663
  130    HG1  THR  23           HG1      THR  23   0.330   9.262  -0.072
  131   HG21  THR  23          HG21      THR  23   2.802  10.452  -0.759
  132   HG22  THR  23          HG22      THR  23   3.648   9.447  -1.944
  133   HG23  THR  23          HG23      THR  23   3.571   8.950  -0.251
  134    H    THR  24           H        THR  24   0.764   7.597  -4.187
  135    HA   THR  24           HA       THR  24  -2.044   7.025  -3.569
  136    HB   THR  24           HB       THR  24  -2.116   6.142  -5.939
  137    HG1  THR  24           HG1      THR  24   0.512   6.992  -5.879
  138   HG21  THR  24          HG21      THR  24  -3.182   8.242  -5.361
  139   HG22  THR  24          HG22      THR  24  -2.425   8.389  -6.945
  140   HG23  THR  24          HG23      THR  24  -1.653   9.102  -5.531
  141    H    CYS  25           H        CYS  25  -2.681   4.805  -3.653
  142    HA   CYS  25           HA       CYS  25  -0.613   3.040  -2.758
  143    HB2  CYS  25           HB2      CYS  25  -2.886   2.960  -1.776
  144    HB3  CYS  25           HB3      CYS  25  -3.545   2.499  -3.343
  145    H    GLN  26           H        GLN  26   0.765   2.289  -4.261
  146    HA   GLN  26           HA       GLN  26  -0.398   1.466  -6.793
  147    HB2  GLN  26           HB2      GLN  26   2.476   2.182  -6.187
  148    HB3  GLN  26           HB3      GLN  26   1.844   1.708  -7.760
  149    HG2  GLN  26           HG2      GLN  26   0.348   3.712  -7.670
  150    HG3  GLN  26           HG3      GLN  26   1.188   4.202  -6.205
  151   HE21  GLN  26          HE21      GLN  26   2.016   6.092  -7.097
  152   HE22  GLN  26          HE22      GLN  26   3.245   6.054  -8.307
  153    H    VAL  27           H        VAL  27  -0.447  -0.577  -7.240
  154    HA   VAL  27           HA       VAL  27   0.524  -2.485  -5.311
  155    HB   VAL  27           HB       VAL  27  -0.937  -2.954  -7.930
  156   HG11  VAL  27          HG11      VAL  27  -1.530  -5.135  -6.987
  157   HG12  VAL  27          HG12      VAL  27  -0.535  -4.790  -5.572
  158   HG13  VAL  27          HG13      VAL  27   0.215  -4.949  -7.162
  159   HG21  VAL  27          HG21      VAL  27  -2.042  -2.737  -5.130
  160   HG22  VAL  27          HG22      VAL  27  -2.963  -3.192  -6.560
  161   HG23  VAL  27          HG23      VAL  27  -2.270  -1.573  -6.433
  162    H    LEU  28           H        LEU  28   2.567  -3.107  -5.416
  163    HA   LEU  28           HA       LEU  28   3.997  -3.069  -7.960
  164    HB2  LEU  28           HB2      LEU  28   4.993  -3.646  -5.161
  165    HB3  LEU  28           HB3      LEU  28   6.003  -3.518  -6.582
  166    HG   LEU  28           HG       LEU  28   4.429  -1.281  -5.300
  167   HD11  LEU  28          HD11      LEU  28   6.629  -0.373  -4.750
  168   HD12  LEU  28          HD12      LEU  28   7.393  -1.808  -5.432
  169   HD13  LEU  28          HD13      LEU  28   6.366  -1.948  -4.003
  170   HD21  LEU  28          HD21      LEU  28   6.287  -1.238  -7.680
  171   HD22  LEU  28          HD22      LEU  28   5.600   0.179  -6.891
  172   HD23  LEU  28          HD23      LEU  28   4.545  -0.971  -7.713
  173    H    ASN  29           H        ASN  29   3.955  -5.235  -5.200
  174    HA   ASN  29           HA       ASN  29   4.076  -7.552  -6.978
  175    HB2  ASN  29           HB2      ASN  29   4.233  -7.442  -3.940
  176    HB3  ASN  29           HB3      ASN  29   4.565  -8.834  -4.956
  177   HD21  ASN  29          HD21      ASN  29   6.226  -7.678  -2.986
  178   HD22  ASN  29          HD22      ASN  29   7.692  -7.184  -3.744
  179    HA   PRO  30           HA       PRO  30  -0.259  -8.357  -6.262
  180    HB2  PRO  30           HB2      PRO  30   0.339 -11.076  -5.230
  181    HB3  PRO  30           HB3      PRO  30  -0.673 -10.597  -6.597
  182    HG2  PRO  30           HG2      PRO  30   1.710 -11.722  -6.992
  183    HG3  PRO  30           HG3      PRO  30   1.134 -10.413  -8.040
  184    HD2  PRO  30           HD2      PRO  30   3.102 -10.319  -5.788
  185    HD3  PRO  30           HD3      PRO  30   3.175  -9.499  -7.360
  186    H    TYR  31           H        TYR  31   1.987  -9.155  -3.717
  187    HA   TYR  31           HA       TYR  31  -0.186  -8.914  -1.740
  188    HB2  TYR  31           HB2      TYR  31   2.581 -10.026  -1.290
  189    HB3  TYR  31           HB3      TYR  31   1.215 -10.104  -0.190
  190    HD1  TYR  31           HD1      TYR  31  -0.566 -11.746  -0.538
  191    HD2  TYR  31           HD2      TYR  31   2.682 -11.456  -3.254
  192    HE1  TYR  31           HE1      TYR  31  -1.181 -13.917  -1.508
  193    HE2  TYR  31           HE2      TYR  31   2.081 -13.615  -4.228
  194    HH   TYR  31           HH       TYR  31   0.917 -15.624  -3.472
  195    H    TYR  32           H        TYR  32   2.813  -7.490  -2.817
  196    HA   TYR  32           HA       TYR  32   2.664  -5.646  -0.569
  197    HB2  TYR  32           HB2      TYR  32   4.845  -6.756  -0.799
  198    HB3  TYR  32           HB3      TYR  32   5.008  -6.108  -2.428
  199    HD1  TYR  32           HD1      TYR  32   5.908  -3.947  -2.766
  200    HD2  TYR  32           HD2      TYR  32   4.716  -5.152   1.132
  201    HE1  TYR  32           HE1      TYR  32   6.907  -1.906  -1.826
  202    HE2  TYR  32           HE2      TYR  32   5.720  -3.123   2.074
  203    HH   TYR  32           HH       TYR  32   7.334  -1.473   1.543
  204    H    SER  33           H        SER  33   1.617  -3.894  -0.958
  205    HA   SER  33           HA       SER  33   1.901  -2.568  -3.559
  206    HB2  SER  33           HB2      SER  33  -0.335  -2.369  -1.517
  207    HB3  SER  33           HB3      SER  33  -0.319  -1.583  -3.091
  208    HG   SER  33           HG       SER  33  -1.522  -3.572  -2.939
  209    H    GLN  34           H        GLN  34   2.394  -0.288  -3.410
  210    HA   GLN  34           HA       GLN  34   3.277   0.508  -0.726
  211    HB2  GLN  34           HB2      GLN  34   5.157  -0.423  -2.033
  212    HB3  GLN  34           HB3      GLN  34   4.873   0.783  -3.272
  213    HG2  GLN  34           HG2      GLN  34   5.444   2.552  -1.724
  214    HG3  GLN  34           HG3      GLN  34   5.636   1.376  -0.425
  215   HE21  GLN  34          HE21      GLN  34   7.428   0.008  -0.444
  216   HE22  GLN  34          HE22      GLN  34   8.812   0.341  -1.411
  217    H    CYS  35           H        CYS  35   2.963   2.602  -0.223
  218    HA   CYS  35           HA       CYS  35   1.397   4.243  -1.963
  219    HB2  CYS  35           HB2      CYS  35   2.753   4.947   0.648
  220    HB3  CYS  35           HB3      CYS  35   1.608   5.972  -0.204
  221    H    LEU  36           H        LEU  36   2.175   5.220  -3.615
  222    HA   LEU  36           HA       LEU  36   4.742   6.584  -3.476
  223    HB2  LEU  36           HB2      LEU  36   3.650   4.952  -5.773
  224    HB3  LEU  36           HB3      LEU  36   5.052   5.994  -5.872
  225    HG   LEU  36           HG       LEU  36   4.881   3.581  -4.064
  226   HD11  LEU  36          HD11      LEU  36   4.769   2.934  -6.424
  227   HD12  LEU  36          HD12      LEU  36   6.309   2.479  -5.696
  228   HD13  LEU  36          HD13      LEU  36   6.216   3.888  -6.756
  229   HD21  LEU  36          HD21      LEU  36   6.464   5.298  -3.328
  230   HD22  LEU  36          HD22      LEU  36   7.204   5.307  -4.928
  231   HD23  LEU  36          HD23      LEU  36   7.306   3.867  -3.919
  232    H1   MAN 101           H1       MAN 101   6.248   6.539   6.980
  233    H2   MAN 101           H2       MAN 101   5.553   3.636   6.665
  234    H3   MAN 101           H3       MAN 101   5.321   3.550   8.966
  235    H4   MAN 101           H4       MAN 101   7.547   5.608   9.007
  236    H5   MAN 101           H5       MAN 101   4.785   5.924  10.305
  237    H61  MAN 101           H61      MAN 101   6.804   7.716   8.902
  238    H62  MAN 101           H62      MAN 101   6.285   7.770  10.605
  239    HO2  MAN 101           HO2      MAN 101   7.796   3.576   6.870
  240    HO3  MAN 101           HO3      MAN 101   7.370   2.728   9.645
  241    HO4  MAN 101           HO4      MAN 101   6.186   4.312  11.172
  242    HO6  MAN 101           HO6      MAN 101   4.084   7.936   9.131
  Start of MODEL   12
    1    H1   THR   1           H1       THR   1  -1.909   6.438   9.145
    2    H2   THR   1           H2       THR   1  -2.605   4.921   8.830
    3    H3   THR   1           H3       THR   1  -3.568   6.312   8.969
    4    HA   THR   1           HA       THR   1  -3.275   5.689   6.673
    5    HB   THR   1           HB       THR   1  -1.885   8.279   7.451
    6    HG1  THR   1           HG1      THR   1  -3.834   9.101   7.906
    7   HG21  THR   1          HG21      THR   1  -3.734   7.599   5.157
    8   HG22  THR   1          HG22      THR   1  -1.986   7.805   5.037
    9   HG23  THR   1          HG23      THR   1  -3.009   9.172   5.476
   10    H    GLN   2           H        GLN   2  -1.767   5.066   5.033
   11    HA   GLN   2           HA       GLN   2   0.886   4.479   6.051
   12    HB2  GLN   2           HB2      GLN   2  -0.584   2.824   4.745
   13    HB3  GLN   2           HB3      GLN   2  -0.225   3.799   3.327
   14    HG2  GLN   2           HG2      GLN   2   1.233   1.866   3.438
   15    HG3  GLN   2           HG3      GLN   2   2.176   3.344   3.636
   16   HE21  GLN   2          HE21      GLN   2   0.951   0.514   5.186
   17   HE22  GLN   2          HE22      GLN   2   1.872   0.636   6.630
   18    H    SER   3           H        SER   3   2.728   5.396   5.227
   19    HA   SER   3           HA       SER   3   2.300   7.902   3.796
   20    HB2  SER   3           HB2      SER   3   4.658   6.869   5.339
   21    HB3  SER   3           HB3      SER   3   4.469   8.501   4.702
   22    H    HIS   4           H        HIS   4   4.555   8.486   2.605
   23    HA   HIS   4           HA       HIS   4   4.720   6.834   0.310
   24    HB2  HIS   4           HB2      HIS   4   5.363   9.239   0.275
   25    HB3  HIS   4           HB3      HIS   4   6.725   8.883   1.325
   26    HD1  HIS   4           HD1      HIS   4   8.879   8.240   0.190
   27    HD2  HIS   4           HD2      HIS   4   5.630   8.053  -2.392
   28    HE1  HIS   4           HE1      HIS   4   9.839   7.795  -2.066
   29    HE2  HIS   4           HE2      HIS   4   7.875   7.500  -3.568
   30    H    ALA   5           H        ALA   5   5.835   5.063  -0.039
   31    HA   ALA   5           HA       ALA   5   7.070   3.239   0.263
   32    HB1  ALA   5           HB1      ALA   5   8.784   4.816   2.196
   33    HB2  ALA   5           HB2      ALA   5   9.060   4.732   0.457
   34    HB3  ALA   5           HB3      ALA   5   9.213   3.276   1.449
   35    H    GLY   6           H        GLY   6   5.875   1.803   1.098
   36    HA2  GLY   6           HA2      GLY   6   5.895   0.772   3.541
   37    HA3  GLY   6           HA3      GLY   6   4.732   2.089   3.700
   38    H    GLN   7           H        GLN   7   4.336  -0.826   3.741
   39    HA   GLN   7           HA       GLN   7   2.975  -1.418   1.293
   40    HB2  GLN   7           HB2      GLN   7   4.098  -3.195   2.560
   41    HB3  GLN   7           HB3      GLN   7   3.015  -2.913   3.916
   42    HG2  GLN   7           HG2      GLN   7   1.133  -3.671   2.621
   43    HG3  GLN   7           HG3      GLN   7   2.134  -3.866   1.189
   44   HE21  GLN   7          HE21      GLN   7   0.564  -5.844   2.614
   45   HE22  GLN   7          HE22      GLN   7   1.648  -7.071   3.125
   46    H    CYS   8           H        CYS   8   1.217  -0.381   0.868
   47    HA   CYS   8           HA       CYS   8  -0.576   0.524   2.921
   48    HB2  CYS   8           HB2      CYS   8  -1.888   1.408   0.964
   49    HB3  CYS   8           HB3      CYS   8  -0.251   2.029   1.135
   50    H    GLY   9           H        GLY   9  -0.692  -1.949   0.361
   51    HA2  GLY   9           HA2      GLY   9  -2.483  -3.539   1.799
   52    HA3  GLY   9           HA3      GLY   9  -3.422  -2.450   0.790
   53    H    GLY  10           H        GLY  10  -1.502  -5.239   0.908
   54    HA2  GLY  10           HA2      GLY  10  -2.019  -5.658  -1.944
   55    HA3  GLY  10           HA3      GLY  10  -0.712  -6.437  -1.044
   56    H    ILE  11           H        ILE  11  -1.869  -8.410  -1.948
   57    HA   ILE  11           HA       ILE  11  -4.420  -9.154  -1.071
   58    HB   ILE  11           HB       ILE  11  -2.052 -10.920  -1.767
   59   HG12  ILE  11          HG12      ILE  11  -4.425 -10.076  -3.449
   60   HG13  ILE  11          HG13      ILE  11  -2.817  -9.371  -3.558
   61   HG21  ILE  11          HG21      ILE  11  -4.978 -11.645  -1.547
   62   HG22  ILE  11          HG22      ILE  11  -3.695 -12.181  -0.464
   63   HG23  ILE  11          HG23      ILE  11  -3.705 -12.709  -2.146
   64   HD11  ILE  11          HD11      ILE  11  -3.186 -10.976  -5.334
   65   HD12  ILE  11          HD12      ILE  11  -3.553 -12.227  -4.144
   66   HD13  ILE  11          HD13      ILE  11  -1.929 -11.548  -4.237
   67    H    GLY  12           H        GLY  12  -5.016  -9.144   0.989
   68    HA2  GLY  12           HA2      GLY  12  -5.198 -10.521   2.934
   69    HA3  GLY  12           HA3      GLY  12  -3.468 -10.810   2.832
   70    H    TYR  13           H        TYR  13  -3.592  -7.699   2.197
   71    HA   TYR  13           HA       TYR  13  -3.144  -7.031   5.026
   72    HB2  TYR  13           HB2      TYR  13  -1.310  -6.679   3.349
   73    HB3  TYR  13           HB3      TYR  13  -2.339  -5.491   2.561
   74    HD1  TYR  13           HD1      TYR  13  -0.041  -6.143   5.250
   75    HD2  TYR  13           HD2      TYR  13  -2.933  -3.390   3.814
   76    HE1  TYR  13           HE1      TYR  13   0.876  -4.416   6.722
   77    HE2  TYR  13           HE2      TYR  13  -2.035  -1.660   5.261
   78    HH   TYR  13           HH       TYR  13   0.951  -1.923   6.704
   79    H    SER  14           H        SER  14  -4.879  -6.131   5.981
   80    HA   SER  14           HA       SER  14  -6.666  -4.517   4.312
   81    HB2  SER  14           HB2      SER  14  -8.337  -5.179   6.144
   82    HB3  SER  14           HB3      SER  14  -7.849  -6.385   4.951
   83    HG   SER  14           HG       SER  14  -7.166  -7.530   6.488
   84    H    GLY  15           H        GLY  15  -4.295  -3.898   6.261
   85    HA2  GLY  15           HA2      GLY  15  -5.428  -2.243   8.320
   86    HA3  GLY  15           HA3      GLY  15  -3.745  -2.326   7.856
   87    HA   PRO  16           HA       PRO  16  -4.808   1.880   6.574
   88    HB2  PRO  16           HB2      PRO  16  -2.250   2.765   6.328
   89    HB3  PRO  16           HB3      PRO  16  -3.083   2.649   7.881
   90    HG2  PRO  16           HG2      PRO  16  -1.126   0.753   6.645
   91    HG3  PRO  16           HG3      PRO  16  -1.237   1.311   8.327
   92    HD2  PRO  16           HD2      PRO  16  -2.186  -1.103   7.518
   93    HD3  PRO  16           HD3      PRO  16  -2.920  -0.176   8.839
   94    H    THR  17           H        THR  17  -5.613   0.815   4.625
   95    HA   THR  17           HA       THR  17  -3.872   0.544   2.390
   96    HB   THR  17           HB       THR  17  -6.064   0.172   1.175
   97    HG1  THR  17           HG1      THR  17  -7.902   0.106   2.361
   98   HG21  THR  17          HG21      THR  17  -5.590  -1.472   3.674
   99   HG22  THR  17          HG22      THR  17  -4.766  -1.690   2.138
  100   HG23  THR  17          HG23      THR  17  -6.500  -1.996   2.254
  101    H    VAL  18           H        VAL  18  -5.317   3.057   3.918
  102    HA   VAL  18           HA       VAL  18  -5.529   4.768   1.587
  103    HB   VAL  18           HB       VAL  18  -7.278   5.003   3.304
  104   HG11  VAL  18          HG11      VAL  18  -5.080   5.815   5.189
  105   HG12  VAL  18          HG12      VAL  18  -6.077   4.366   5.295
  106   HG13  VAL  18          HG13      VAL  18  -6.805   5.956   5.520
  107   HG21  VAL  18          HG21      VAL  18  -5.496   7.430   3.136
  108   HG22  VAL  18          HG22      VAL  18  -7.174   7.447   3.669
  109   HG23  VAL  18          HG23      VAL  18  -6.781   6.984   2.011
  110    H    CYS  19           H        CYS  19  -4.050   6.255   1.039
  111    HA   CYS  19           HA       CYS  19  -1.539   6.158   2.513
  112    HB2  CYS  19           HB2      CYS  19  -2.139   6.942  -0.328
  113    HB3  CYS  19           HB3      CYS  19  -0.540   6.957   0.411
  114    H    ALA  20           H        ALA  20  -0.298   8.056   2.707
  115    HA   ALA  20           HA       ALA  20  -1.757  10.238   3.751
  116    HB1  ALA  20           HB1      ALA  20   1.198  10.027   3.188
  117    HB2  ALA  20           HB2      ALA  20   0.392   9.504   4.669
  118    HB3  ALA  20           HB3      ALA  20   0.415  11.214   4.231
  119    H    SER  21           H        SER  21  -0.915  12.537   3.200
  120    HA   SER  21           HA       SER  21  -2.114  13.454   0.956
  121    HB2  SER  21           HB2      SER  21   0.236  14.719   2.329
  122    HB3  SER  21           HB3      SER  21  -1.133  15.525   1.558
  123    HG   SER  21           HG       SER  21  -2.414  14.987   3.206
  124    H    GLY  22           H        GLY  22  -1.568  12.916  -1.127
  125    HA2  GLY  22           HA2      GLY  22  -0.344  13.433  -3.020
  126    HA3  GLY  22           HA3      GLY  22   1.058  13.768  -2.016
  127    H    THR  23           H        THR  23  -0.453  10.831  -1.243
  128    HA   THR  23           HA       THR  23   1.346   9.434  -3.076
  129    HB   THR  23           HB       THR  23   1.727   7.685  -1.381
  130    HG1  THR  23           HG1      THR  23   0.093   9.389   0.155
  131   HG21  THR  23          HG21      THR  23   3.424   9.361  -1.612
  132   HG22  THR  23          HG22      THR  23   3.249   8.969   0.101
  133   HG23  THR  23          HG23      THR  23   2.550  10.457  -0.544
  134    H    THR  24           H        THR  24   0.626   7.560  -3.958
  135    HA   THR  24           HA       THR  24  -2.209   6.930  -3.507
  136    HB   THR  24           HB       THR  24  -2.189   6.176  -5.916
  137    HG1  THR  24           HG1      THR  24   0.454   7.233  -5.766
  138   HG21  THR  24          HG21      THR  24  -3.103   8.377  -5.305
  139   HG22  THR  24          HG22      THR  24  -2.312   8.437  -6.880
  140   HG23  THR  24          HG23      THR  24  -1.496   9.089  -5.462
  141    H    CYS  25           H        CYS  25  -2.696   4.778  -3.165
  142    HA   CYS  25           HA       CYS  25  -0.524   3.001  -2.567
  143    HB2  CYS  25           HB2      CYS  25  -2.595   2.970  -1.213
  144    HB3  CYS  25           HB3      CYS  25  -3.506   2.494  -2.641
  145    H    GLN  26           H        GLN  26   0.545   2.102  -4.184
  146    HA   GLN  26           HA       GLN  26  -1.052   1.135  -6.426
  147    HB2  GLN  26           HB2      GLN  26   1.812   2.081  -6.453
  148    HB3  GLN  26           HB3      GLN  26   0.948   1.417  -7.837
  149    HG2  GLN  26           HG2      GLN  26  -0.691   3.265  -7.631
  150    HG3  GLN  26           HG3      GLN  26   0.299   3.950  -6.353
  151   HE21  GLN  26          HE21      GLN  26   0.626   5.824  -7.509
  152   HE22  GLN  26          HE22      GLN  26   1.648   5.899  -8.893
  153    H    VAL  27           H        VAL  27  -1.094  -0.899  -6.756
  154    HA   VAL  27           HA       VAL  27   0.267  -2.757  -5.115
  155    HB   VAL  27           HB       VAL  27  -1.339  -3.200  -7.657
  156   HG11  VAL  27          HG11      VAL  27  -0.556  -5.165  -5.502
  157   HG12  VAL  27          HG12      VAL  27   0.088  -5.116  -7.142
  158   HG13  VAL  27          HG13      VAL  27  -1.613  -5.506  -6.875
  159   HG21  VAL  27          HG21      VAL  27  -2.654  -2.102  -5.906
  160   HG22  VAL  27          HG22      VAL  27  -2.196  -3.365  -4.767
  161   HG23  VAL  27          HG23      VAL  27  -3.197  -3.759  -6.163
  162    H    LEU  28           H        LEU  28   2.285  -3.314  -5.367
  163    HA   LEU  28           HA       LEU  28   3.556  -3.016  -7.989
  164    HB2  LEU  28           HB2      LEU  28   4.818  -3.499  -5.277
  165    HB3  LEU  28           HB3      LEU  28   5.686  -3.154  -6.751
  166    HG   LEU  28           HG       LEU  28   3.926  -1.268  -5.189
  167   HD11  LEU  28          HD11      LEU  28   5.994  -0.008  -4.868
  168   HD12  LEU  28          HD12      LEU  28   6.885  -1.265  -5.727
  169   HD13  LEU  28          HD13      LEU  28   6.098  -1.634  -4.194
  170   HD21  LEU  28          HD21      LEU  28   5.394  -0.772  -7.785
  171   HD22  LEU  28          HD22      LEU  28   4.592   0.456  -6.808
  172   HD23  LEU  28          HD23      LEU  28   3.644  -0.819  -7.567
  173    H    ASN  29           H        ASN  29   3.939  -5.150  -5.233
  174    HA   ASN  29           HA       ASN  29   4.119  -7.465  -7.000
  175    HB2  ASN  29           HB2      ASN  29   4.717  -7.153  -4.034
  176    HB3  ASN  29           HB3      ASN  29   4.932  -8.623  -4.972
  177   HD21  ASN  29          HD21      ASN  29   6.863  -7.029  -3.457
  178   HD22  ASN  29          HD22      ASN  29   8.107  -6.645  -4.581
  179    HA   PRO  30           HA       PRO  30   0.037  -8.863  -5.901
  180    HB2  PRO  30           HB2      PRO  30   1.078 -11.295  -4.536
  181    HB3  PRO  30           HB3      PRO  30  -0.085 -11.167  -5.859
  182    HG2  PRO  30           HG2      PRO  30   2.385 -11.987  -6.354
  183    HG3  PRO  30           HG3      PRO  30   1.581 -10.863  -7.466
  184    HD2  PRO  30           HD2      PRO  30   3.630 -10.313  -5.363
  185    HD3  PRO  30           HD3      PRO  30   3.534  -9.674  -7.021
  186    H    TYR  31           H        TYR  31   2.334  -9.297  -3.220
  187    HA   TYR  31           HA       TYR  31   0.116  -8.798  -1.366
  188    HB2  TYR  31           HB2      TYR  31   2.889  -9.845  -0.715
  189    HB3  TYR  31           HB3      TYR  31   1.532  -9.708   0.385
  190    HD1  TYR  31           HD1      TYR  31   2.974 -11.642  -2.365
  191    HD2  TYR  31           HD2      TYR  31  -0.318 -11.264   0.285
  192    HE1  TYR  31           HE1      TYR  31   2.264 -13.912  -2.945
  193    HE2  TYR  31           HE2      TYR  31  -1.039 -13.536  -0.281
  194    HH   TYR  31           HH       TYR  31   0.933 -15.717  -1.976
  195    H    TYR  32           H        TYR  32   3.014  -7.452  -2.646
  196    HA   TYR  32           HA       TYR  32   2.996  -5.449  -0.522
  197    HB2  TYR  32           HB2      TYR  32   5.154  -6.618  -0.962
  198    HB3  TYR  32           HB3      TYR  32   5.166  -5.919  -2.574
  199    HD1  TYR  32           HD1      TYR  32   6.118  -3.783  -2.934
  200    HD2  TYR  32           HD2      TYR  32   5.096  -5.017   1.012
  201    HE1  TYR  32           HE1      TYR  32   7.251  -1.797  -2.014
  202    HE2  TYR  32           HE2      TYR  32   6.221  -3.043   1.926
  203    HH   TYR  32           HH       TYR  32   7.335  -0.429  -0.021
  204    H    SER  33           H        SER  33   1.876  -3.788  -0.925
  205    HA   SER  33           HA       SER  33   1.956  -2.497  -3.554
  206    HB2  SER  33           HB2      SER  33  -0.262  -2.499  -1.484
  207    HB3  SER  33           HB3      SER  33  -0.330  -1.707  -3.060
  208    HG   SER  33           HG       SER  33  -1.326  -3.852  -2.786
  209    H    GLN  34           H        GLN  34   2.263  -0.201  -3.371
  210    HA   GLN  34           HA       GLN  34   2.968   0.634  -0.670
  211    HB2  GLN  34           HB2      GLN  34   5.008  -0.172  -1.539
  212    HB3  GLN  34           HB3      GLN  34   4.768   0.647  -3.069
  213    HG2  GLN  34           HG2      GLN  34   5.189   2.759  -2.102
  214    HG3  GLN  34           HG3      GLN  34   5.150   2.088  -0.472
  215   HE21  GLN  34          HE21      GLN  34   6.931   2.304  -3.415
  216   HE22  GLN  34          HE22      GLN  34   8.437   1.790  -2.773
  217    H    CYS  35           H        CYS  35   2.791   2.797  -0.252
  218    HA   CYS  35           HA       CYS  35   1.191   4.384  -1.996
  219    HB2  CYS  35           HB2      CYS  35   2.607   5.125   0.570
  220    HB3  CYS  35           HB3      CYS  35   1.371   6.086  -0.235
  221    H    LEU  36           H        LEU  36   1.984   5.301  -3.676
  222    HA   LEU  36           HA       LEU  36   4.663   6.478  -3.644
  223    HB2  LEU  36           HB2      LEU  36   3.003   5.488  -5.970
  224    HB3  LEU  36           HB3      LEU  36   4.571   6.255  -6.103
  225    HG   LEU  36           HG       LEU  36   4.048   3.596  -4.770
  226   HD11  LEU  36          HD11      LEU  36   3.726   3.482  -7.180
  227   HD12  LEU  36          HD12      LEU  36   5.212   2.654  -6.707
  228   HD13  LEU  36          HD13      LEU  36   5.290   4.257  -7.434
  229   HD21  LEU  36          HD21      LEU  36   6.499   3.405  -4.806
  230   HD22  LEU  36          HD22      LEU  36   5.941   4.727  -3.782
  231   HD23  LEU  36          HD23      LEU  36   6.609   5.070  -5.377
  232    H1   MAN 101           H1       MAN 101   4.843   7.720   7.496
  233    H2   MAN 101           H2       MAN 101   2.324   9.165   8.296
  234    H3   MAN 101           H3       MAN 101   3.724  10.857   9.137
  235    H4   MAN 101           H4       MAN 101   5.863   8.691   9.426
  236    H5   MAN 101           H5       MAN 101   6.023  11.130   7.595
  237    H61  MAN 101           H61      MAN 101   7.263   9.582   6.160
  238    H62  MAN 101           H62      MAN 101   6.944   8.215   7.248
  239    HO2  MAN 101           HO2      MAN 101   2.761   6.941   8.803
  240    HO3  MAN 101           HO3      MAN 101   3.962   8.631  10.887
  241    HO4  MAN 101           HO4      MAN 101   7.141  10.570   9.916
  242    HO6  MAN 101           HO6      MAN 101   8.706  10.389   7.537
  Start of MODEL   13
    1    H1   THR   1           H1       THR   1  -2.687   5.233   9.001
    2    H2   THR   1           H2       THR   1  -3.740   6.555   9.117
    3    H3   THR   1           H3       THR   1  -2.066   6.777   9.218
    4    HA   THR   1           HA       THR   1  -3.472   5.853   6.830
    5    HB   THR   1           HB       THR   1  -2.197   8.529   7.447
    6    HG1  THR   1           HG1      THR   1  -4.258   9.264   7.799
    7   HG21  THR   1          HG21      THR   1  -2.294   7.929   5.057
    8   HG22  THR   1          HG22      THR   1  -3.393   9.258   5.420
    9   HG23  THR   1          HG23      THR   1  -4.023   7.625   5.203
   10    H    GLN   2           H        GLN   2  -2.018   5.266   5.170
   11    HA   GLN   2           HA       GLN   2   0.626   4.697   6.182
   12    HB2  GLN   2           HB2      GLN   2  -0.985   3.063   5.000
   13    HB3  GLN   2           HB3      GLN   2  -0.505   3.882   3.527
   14    HG2  GLN   2           HG2      GLN   2   0.753   1.827   3.840
   15    HG3  GLN   2           HG3      GLN   2   1.808   3.234   3.908
   16   HE21  GLN   2          HE21      GLN   2   1.866   0.439   5.048
   17   HE22  GLN   2          HE22      GLN   2   2.280   0.665   6.708
   18    H    SER   3           H        SER   3   2.353   5.834   5.600
   19    HA   SER   3           HA       SER   3   1.976   8.006   3.728
   20    HB2  SER   3           HB2      SER   3   4.069   8.823   4.636
   21    HB3  SER   3           HB3      SER   3   2.915   8.475   5.925
   22    H    HIS   4           H        HIS   4   4.235   8.516   2.622
   23    HA   HIS   4           HA       HIS   4   4.626   6.827   0.476
   24    HB2  HIS   4           HB2      HIS   4   5.312   9.222   0.569
   25    HB3  HIS   4           HB3      HIS   4   6.586   8.774   1.686
   26    HD1  HIS   4           HD1      HIS   4   8.799   8.286   0.654
   27    HD2  HIS   4           HD2      HIS   4   5.690   7.974  -2.077
   28    HE1  HIS   4           HE1      HIS   4   9.884   7.848  -1.540
   29    HE2  HIS   4           HE2      HIS   4   8.006   8.036  -3.195
   30    H    ALA   5           H        ALA   5   5.858   5.119   0.070
   31    HA   ALA   5           HA       ALA   5   7.366   3.483   0.165
   32    HB1  ALA   5           HB1      ALA   5   8.698   4.884   2.494
   33    HB2  ALA   5           HB2      ALA   5   9.062   5.178   0.796
   34    HB3  ALA   5           HB3      ALA   5   9.390   3.596   1.503
   35    H    GLY   6           H        GLY   6   5.048   3.965   2.321
   36    HA2  GLY   6           HA2      GLY   6   5.666   1.632   3.953
   37    HA3  GLY   6           HA3      GLY   6   4.263   2.686   4.115
   38    H    GLN   7           H        GLN   7   4.245  -0.195   4.000
   39    HA   GLN   7           HA       GLN   7   3.221  -0.861   1.384
   40    HB2  GLN   7           HB2      GLN   7   4.435  -2.593   2.628
   41    HB3  GLN   7           HB3      GLN   7   3.290  -2.471   3.955
   42    HG2  GLN   7           HG2      GLN   7   1.513  -3.341   2.540
   43    HG3  GLN   7           HG3      GLN   7   2.604  -3.398   1.161
   44   HE21  GLN   7          HE21      GLN   7   1.093  -5.576   2.434
   45   HE22  GLN   7          HE22      GLN   7   2.276  -6.718   2.927
   46    H    CYS   8           H        CYS   8   1.326  -0.144   0.839
   47    HA   CYS   8           HA       CYS   8  -0.605   0.616   2.838
   48    HB2  CYS   8           HB2      CYS   8  -1.979   1.298   0.844
   49    HB3  CYS   8           HB3      CYS   8  -0.420   2.099   0.987
   50    H    GLY   9           H        GLY   9  -0.463  -1.907   0.349
   51    HA2  GLY   9           HA2      GLY   9  -1.735  -3.786   1.848
   52    HA3  GLY   9           HA3      GLY   9  -3.023  -2.738   1.270
   53    H    GLY  10           H        GLY  10  -1.274  -5.444   0.670
   54    HA2  GLY  10           HA2      GLY  10  -1.993  -5.373  -2.145
   55    HA3  GLY  10           HA3      GLY  10  -0.881  -6.519  -1.401
   56    H    ILE  11           H        ILE  11  -2.118  -8.321  -2.104
   57    HA   ILE  11           HA       ILE  11  -4.871  -8.587  -1.437
   58    HB   ILE  11           HB       ILE  11  -2.811 -10.667  -2.212
   59   HG12  ILE  11          HG12      ILE  11  -4.982  -9.341  -3.863
   60   HG13  ILE  11          HG13      ILE  11  -3.270  -8.936  -3.920
   61   HG21  ILE  11          HG21      ILE  11  -4.734 -12.148  -2.723
   62   HG22  ILE  11          HG22      ILE  11  -5.830 -10.936  -2.062
   63   HG23  ILE  11          HG23      ILE  11  -4.662 -11.734  -1.008
   64   HD11  ILE  11          HD11      ILE  11  -2.775 -11.182  -4.751
   65   HD12  ILE  11          HD12      ILE  11  -3.918 -10.334  -5.794
   66   HD13  ILE  11          HD13      ILE  11  -4.493 -11.582  -4.688
   67    H    GLY  12           H        GLY  12  -5.576  -8.659   0.567
   68    HA2  GLY  12           HA2      GLY  12  -6.090  -9.960   2.465
   69    HA3  GLY  12           HA3      GLY  12  -4.551 -10.778   2.291
   70    H    TYR  13           H        TYR  13  -4.833  -7.298   2.259
   71    HA   TYR  13           HA       TYR  13  -3.377  -7.285   4.834
   72    HB2  TYR  13           HB2      TYR  13  -2.261  -6.463   2.716
   73    HB3  TYR  13           HB3      TYR  13  -3.385  -5.128   2.736
   74    HD1  TYR  13           HD1      TYR  13  -0.724  -6.754   4.768
   75    HD2  TYR  13           HD2      TYR  13  -2.845  -3.172   3.915
   76    HE1  TYR  13           HE1      TYR  13   0.893  -5.487   6.119
   77    HE2  TYR  13           HE2      TYR  13  -1.272  -1.883   5.237
   78    HH   TYR  13           HH       TYR  13   0.404  -2.236   7.053
   79    H    SER  14           H        SER  14  -4.602  -6.589   6.514
   80    HA   SER  14           HA       SER  14  -6.939  -4.943   5.919
   81    HB2  SER  14           HB2      SER  14  -7.701  -5.722   8.193
   82    HB3  SER  14           HB3      SER  14  -7.503  -7.012   7.008
   83    HG   SER  14           HG       SER  14  -5.920  -6.322   9.203
   84    H    GLY  15           H        GLY  15  -3.968  -4.261   6.545
   85    HA2  GLY  15           HA2      GLY  15  -4.152  -2.603   8.897
   86    HA3  GLY  15           HA3      GLY  15  -2.783  -2.705   7.800
   87    HA   PRO  16           HA       PRO  16  -4.692   1.377   6.966
   88    HB2  PRO  16           HB2      PRO  16  -2.373   2.749   6.652
   89    HB3  PRO  16           HB3      PRO  16  -3.112   2.472   8.230
   90    HG2  PRO  16           HG2      PRO  16  -0.788   1.109   6.971
   91    HG3  PRO  16           HG3      PRO  16  -1.090   1.484   8.673
   92    HD2  PRO  16           HD2      PRO  16  -1.438  -1.005   7.509
   93    HD3  PRO  16           HD3      PRO  16  -2.188  -0.468   9.024
   94    H    THR  17           H        THR  17  -5.485   0.791   5.002
   95    HA   THR  17           HA       THR  17  -3.673   0.280   2.844
   96    HB   THR  17           HB       THR  17  -5.883  -0.251   1.667
   97    HG1  THR  17           HG1      THR  17  -7.591   0.272   2.800
   98   HG21  THR  17          HG21      THR  17  -4.358  -1.947   2.600
   99   HG22  THR  17          HG22      THR  17  -6.038  -2.425   2.817
  100   HG23  THR  17          HG23      THR  17  -5.115  -1.770   4.172
  101    H    VAL  18           H        VAL  18  -5.171   2.930   4.118
  102    HA   VAL  18           HA       VAL  18  -5.379   4.267   1.546
  103    HB   VAL  18           HB       VAL  18  -7.269   4.586   3.093
  104   HG11  VAL  18          HG11      VAL  18  -6.113   4.388   5.214
  105   HG12  VAL  18          HG12      VAL  18  -7.072   5.865   5.145
  106   HG13  VAL  18          HG13      VAL  18  -5.320   5.940   4.942
  107   HG21  VAL  18          HG21      VAL  18  -6.793   6.358   1.512
  108   HG22  VAL  18          HG22      VAL  18  -5.688   7.114   2.660
  109   HG23  VAL  18          HG23      VAL  18  -7.414   7.027   3.020
  110    H    CYS  19           H        CYS  19  -3.933   5.693   0.841
  111    HA   CYS  19           HA       CYS  19  -1.545   6.059   2.435
  112    HB2  CYS  19           HB2      CYS  19  -2.087   6.730  -0.460
  113    HB3  CYS  19           HB3      CYS  19  -0.531   6.866   0.352
  114    H    ALA  20           H        ALA  20  -0.534   8.135   2.498
  115    HA   ALA  20           HA       ALA  20  -2.391  10.176   3.273
  116    HB1  ALA  20           HB1      ALA  20  -0.399  11.404   3.980
  117    HB2  ALA  20           HB2      ALA  20   0.626  10.208   3.186
  118    HB3  ALA  20           HB3      ALA  20  -0.366   9.742   4.568
  119    H    SER  21           H        SER  21  -1.879  12.498   2.608
  120    HA   SER  21           HA       SER  21  -2.503  12.878  -0.067
  121    HB2  SER  21           HB2      SER  21  -1.295  14.814   1.910
  122    HB3  SER  21           HB3      SER  21  -2.131  15.251   0.420
  123    HG   SER  21           HG       SER  21  -3.239  15.025   2.697
  124    H    GLY  22           H        GLY  22  -1.288  12.909  -1.852
  125    HA2  GLY  22           HA2      GLY  22   0.608  13.751  -3.029
  126    HA3  GLY  22           HA3      GLY  22   1.545  13.576  -1.557
  127    H    THR  23           H        THR  23  -0.210  10.876  -1.554
  128    HA   THR  23           HA       THR  23   1.566   9.430  -3.365
  129    HB   THR  23           HB       THR  23   1.818   7.633  -1.626
  130    HG1  THR  23           HG1      THR  23   0.267   9.383  -0.179
  131   HG21  THR  23          HG21      THR  23   3.651   9.180  -2.091
  132   HG22  THR  23          HG22      THR  23   3.599   8.746  -0.381
  133   HG23  THR  23          HG23      THR  23   2.996  10.319  -0.910
  134    H    THR  24           H        THR  24   0.788   7.393  -4.064
  135    HA   THR  24           HA       THR  24  -2.022   6.880  -3.467
  136    HB   THR  24           HB       THR  24  -2.047   5.905  -5.865
  137    HG1  THR  24           HG1      THR  24   0.474   6.649  -5.826
  138   HG21  THR  24          HG21      THR  24  -1.866   8.902  -5.470
  139   HG22  THR  24          HG22      THR  24  -3.309   7.914  -5.248
  140   HG23  THR  24          HG23      THR  24  -2.605   8.103  -6.855
  141    H    CYS  25           H        CYS  25  -2.613   4.615  -3.579
  142    HA   CYS  25           HA       CYS  25  -0.480   2.942  -2.583
  143    HB2  CYS  25           HB2      CYS  25  -2.715   2.902  -1.500
  144    HB3  CYS  25           HB3      CYS  25  -3.435   2.349  -3.005
  145    H    GLN  26           H        GLN  26   0.861   2.312  -4.200
  146    HA   GLN  26           HA       GLN  26  -0.375   1.366  -6.657
  147    HB2  GLN  26           HB2      GLN  26   2.538   1.978  -6.128
  148    HB3  GLN  26           HB3      GLN  26   1.827   1.577  -7.684
  149    HG2  GLN  26           HG2      GLN  26   0.397   3.637  -7.429
  150    HG3  GLN  26           HG3      GLN  26   1.398   4.058  -6.047
  151   HE21  GLN  26          HE21      GLN  26   2.258   5.881  -6.937
  152   HE22  GLN  26          HE22      GLN  26   3.325   5.870  -8.288
  153    H    VAL  27           H        VAL  27  -0.537  -0.656  -7.032
  154    HA   VAL  27           HA       VAL  27   0.552  -2.594  -5.195
  155    HB   VAL  27           HB       VAL  27  -1.163  -3.020  -7.665
  156   HG11  VAL  27          HG11      VAL  27  -0.594  -4.877  -5.356
  157   HG12  VAL  27          HG12      VAL  27   0.019  -5.043  -7.000
  158   HG13  VAL  27          HG13      VAL  27  -1.710  -5.199  -6.685
  159   HG21  VAL  27          HG21      VAL  27  -3.055  -3.236  -6.102
  160   HG22  VAL  27          HG22      VAL  27  -2.335  -1.627  -6.057
  161   HG23  VAL  27          HG23      VAL  27  -1.989  -2.784  -4.771
  162    H    LEU  28           H        LEU  28   2.604  -3.139  -5.503
  163    HA   LEU  28           HA       LEU  28   3.744  -3.159  -8.184
  164    HB2  LEU  28           HB2      LEU  28   5.054  -3.732  -5.507
  165    HB3  LEU  28           HB3      LEU  28   5.889  -3.561  -7.034
  166    HG   LEU  28           HG       LEU  28   4.420  -1.369  -5.564
  167   HD11  LEU  28          HD11      LEU  28   6.497  -1.990  -4.477
  168   HD12  LEU  28          HD12      LEU  28   6.644  -0.411  -5.247
  169   HD13  LEU  28          HD13      LEU  28   7.362  -1.832  -6.004
  170   HD21  LEU  28          HD21      LEU  28   4.275  -1.051  -7.975
  171   HD22  LEU  28          HD22      LEU  28   6.021  -1.267  -8.123
  172   HD23  LEU  28          HD23      LEU  28   5.374   0.125  -7.258
  173    H    ASN  29           H        ASN  29   4.004  -5.336  -5.433
  174    HA   ASN  29           HA       ASN  29   3.800  -7.623  -7.245
  175    HB2  ASN  29           HB2      ASN  29   4.539  -7.481  -4.290
  176    HB3  ASN  29           HB3      ASN  29   4.398  -8.975  -5.194
  177   HD21  ASN  29          HD21      ASN  29   6.392  -6.255  -4.480
  178   HD22  ASN  29          HD22      ASN  29   7.749  -6.766  -5.386
  179    HA   PRO  30           HA       PRO  30  -0.426  -8.373  -6.081
  180    HB2  PRO  30           HB2      PRO  30   0.268 -11.068  -5.028
  181    HB3  PRO  30           HB3      PRO  30  -0.920 -10.623  -6.260
  182    HG2  PRO  30           HG2      PRO  30   1.350 -11.773  -6.978
  183    HG3  PRO  30           HG3      PRO  30   0.692 -10.423  -7.922
  184    HD2  PRO  30           HD2      PRO  30   2.896 -10.427  -5.905
  185    HD3  PRO  30           HD3      PRO  30   2.845  -9.616  -7.489
  186    H    TYR  31           H        TYR  31   2.031  -9.100  -3.736
  187    HA   TYR  31           HA       TYR  31   0.042  -8.700  -1.634
  188    HB2  TYR  31           HB2      TYR  31   2.753 -10.007  -1.380
  189    HB3  TYR  31           HB3      TYR  31   1.542  -9.870  -0.108
  190    HD1  TYR  31           HD1      TYR  31  -0.836 -10.829  -0.766
  191    HD2  TYR  31           HD2      TYR  31   2.823 -11.983  -2.591
  192    HE1  TYR  31           HE1      TYR  31  -1.884 -12.911  -1.536
  193    HE2  TYR  31           HE2      TYR  31   1.788 -14.068  -3.367
  194    HH   TYR  31           HH       TYR  31  -0.120 -15.515  -2.707
  195    H    TYR  32           H        TYR  32   2.903  -7.364  -3.051
  196    HA   TYR  32           HA       TYR  32   3.139  -5.563  -0.751
  197    HB2  TYR  32           HB2      TYR  32   5.208  -6.763  -1.473
  198    HB3  TYR  32           HB3      TYR  32   5.130  -5.915  -3.007
  199    HD1  TYR  32           HD1      TYR  32   5.571  -5.463   0.645
  200    HD2  TYR  32           HD2      TYR  32   6.040  -3.707  -3.199
  201    HE1  TYR  32           HE1      TYR  32   6.950  -3.698   1.637
  202    HE2  TYR  32           HE2      TYR  32   7.419  -1.917  -2.209
  203    HH   TYR  32           HH       TYR  32   7.832  -0.859  -0.055
  204    H    SER  33           H        SER  33   2.045  -3.842  -0.953
  205    HA   SER  33           HA       SER  33   1.997  -2.402  -3.492
  206    HB2  SER  33           HB2      SER  33  -0.123  -2.579  -1.325
  207    HB3  SER  33           HB3      SER  33  -0.267  -1.589  -2.773
  208    HG   SER  33           HG       SER  33  -1.321  -3.629  -2.831
  209    H    GLN  34           H        GLN  34   2.519  -0.228  -3.250
  210    HA   GLN  34           HA       GLN  34   3.332   0.550  -0.550
  211    HB2  GLN  34           HB2      GLN  34   5.270  -0.377  -1.644
  212    HB3  GLN  34           HB3      GLN  34   4.991   0.612  -3.061
  213    HG2  GLN  34           HG2      GLN  34   5.589   2.599  -1.850
  214    HG3  GLN  34           HG3      GLN  34   5.696   1.687  -0.345
  215   HE21  GLN  34          HE21      GLN  34   7.151   2.189  -3.470
  216   HE22  GLN  34          HE22      GLN  34   8.679   1.507  -3.081
  217    H    CYS  35           H        CYS  35   3.066   2.665  -0.065
  218    HA   CYS  35           HA       CYS  35   1.480   4.235  -1.834
  219    HB2  CYS  35           HB2      CYS  35   2.779   4.987   0.788
  220    HB3  CYS  35           HB3      CYS  35   1.620   5.983  -0.088
  221    H    LEU  36           H        LEU  36   2.265   5.068  -3.523
  222    HA   LEU  36           HA       LEU  36   4.678   6.690  -3.449
  223    HB2  LEU  36           HB2      LEU  36   3.833   4.762  -5.624
  224    HB3  LEU  36           HB3      LEU  36   5.130   5.922  -5.773
  225    HG   LEU  36           HG       LEU  36   5.114   3.589  -3.859
  226   HD11  LEU  36          HD11      LEU  36   5.219   2.874  -6.193
  227   HD12  LEU  36          HD12      LEU  36   6.770   2.623  -5.397
  228   HD13  LEU  36          HD13      LEU  36   6.550   3.989  -6.485
  229   HD21  LEU  36          HD21      LEU  36   7.280   5.557  -4.617
  230   HD22  LEU  36          HD22      LEU  36   7.501   4.151  -3.584
  231   HD23  LEU  36          HD23      LEU  36   6.461   5.471  -3.058
  232    H1   MAN 101           H1       MAN 101   4.708   8.233   7.500
  233    H2   MAN 101           H2       MAN 101   5.675   9.513   5.451
  234    H3   MAN 101           H3       MAN 101   6.765   7.616   4.332
  235    H4   MAN 101           H4       MAN 101   8.586   7.632   6.763
  236    H5   MAN 101           H5       MAN 101   6.518   5.578   5.784
  237    H61  MAN 101           H61      MAN 101   7.016   4.413   7.909
  238    H62  MAN 101           H62      MAN 101   8.327   5.570   8.258
  239    HO2  MAN 101           HO2      MAN 101   7.351   8.884   7.646
  240    HO3  MAN 101           HO3      MAN 101   8.594   9.493   5.488
  241    HO4  MAN 101           HO4      MAN 101   9.481   7.181   4.691
  242    HO6  MAN 101           HO6      MAN 101   8.885   4.823   5.899
  Start of MODEL   14
    1    H1   THR   1           H1       THR   1  -3.193   6.140   8.406
    2    H2   THR   1           H2       THR   1  -4.219   7.400   7.971
    3    H3   THR   1           H3       THR   1  -2.595   7.717   8.333
    4    HA   THR   1           HA       THR   1  -3.558   6.213   6.011
    5    HB   THR   1           HB       THR   1  -2.223   8.161   4.929
    6    HG1  THR   1           HG1      THR   1  -2.610  10.104   6.434
    7   HG21  THR   1          HG21      THR   1  -4.918   8.602   6.226
    8   HG22  THR   1          HG22      THR   1  -4.621   7.930   4.621
    9   HG23  THR   1          HG23      THR   1  -4.242   9.619   4.956
   10    H    GLN   2           H        GLN   2  -1.931   5.264   4.751
   11    HA   GLN   2           HA       GLN   2   0.474   4.608   6.191
   12    HB2  GLN   2           HB2      GLN   2  -0.738   2.903   4.823
   13    HB3  GLN   2           HB3      GLN   2  -0.356   3.825   3.377
   14    HG2  GLN   2           HG2      GLN   2   1.137   1.911   3.640
   15    HG3  GLN   2           HG3      GLN   2   2.022   3.433   3.733
   16   HE21  GLN   2          HE21      GLN   2   0.989   0.620   5.439
   17   HE22  GLN   2          HE22      GLN   2   1.920   0.878   6.865
   18    H    SER   3           H        SER   3   2.574   5.034   5.495
   19    HA   SER   3           HA       SER   3   2.823   7.705   4.359
   20    HB2  SER   3           HB2      SER   3   4.975   5.983   5.546
   21    HB3  SER   3           HB3      SER   3   4.939   7.739   5.383
   22    H    HIS   4           H        HIS   4   4.717   8.079   2.987
   23    HA   HIS   4           HA       HIS   4   4.956   6.648   0.643
   24    HB2  HIS   4           HB2      HIS   4   5.787   8.929   0.915
   25    HB3  HIS   4           HB3      HIS   4   6.950   8.399   2.108
   26    HD1  HIS   4           HD1      HIS   4   9.220   7.859   1.265
   27    HD2  HIS   4           HD2      HIS   4   6.412   7.992  -1.789
   28    HE1  HIS   4           HE1      HIS   4  10.534   7.684  -0.850
   29    HE2  HIS   4           HE2      HIS   4   8.810   7.610  -2.675
   30    H    ALA   5           H        ALA   5   6.191   4.930  -0.015
   31    HA   ALA   5           HA       ALA   5   7.486   3.118  -0.017
   32    HB1  ALA   5           HB1      ALA   5   9.315   4.646   0.654
   33    HB2  ALA   5           HB2      ALA   5   9.534   3.015   1.290
   34    HB3  ALA   5           HB3      ALA   5   8.960   4.304   2.345
   35    H    GLY   6           H        GLY   6   5.185   3.562   2.106
   36    HA2  GLY   6           HA2      GLY   6   5.767   1.171   3.679
   37    HA3  GLY   6           HA3      GLY   6   4.478   2.331   4.003
   38    H    GLN   7           H        GLN   7   4.107  -0.442   3.913
   39    HA   GLN   7           HA       GLN   7   2.947  -1.097   1.360
   40    HB2  GLN   7           HB2      GLN   7   4.018  -2.864   2.691
   41    HB3  GLN   7           HB3      GLN   7   2.871  -2.588   3.992
   42    HG2  GLN   7           HG2      GLN   7   1.054  -3.385   2.633
   43    HG3  GLN   7           HG3      GLN   7   2.100  -3.526   1.225
   44   HE21  GLN   7          HE21      GLN   7   0.521  -5.586   2.553
   45   HE22  GLN   7          HE22      GLN   7   1.640  -6.798   3.050
   46    H    CYS   8           H        CYS   8   1.129  -0.326   0.794
   47    HA   CYS   8           HA       CYS   8  -0.703   0.773   2.779
   48    HB2  CYS   8           HB2      CYS   8  -1.796   1.785   0.848
   49    HB3  CYS   8           HB3      CYS   8  -0.078   2.176   0.945
   50    H    GLY   9           H        GLY   9  -0.774  -1.750   0.281
   51    HA2  GLY   9           HA2      GLY   9  -2.847  -3.099   1.609
   52    HA3  GLY   9           HA3      GLY   9  -3.570  -2.030   0.423
   53    H    GLY  10           H        GLY  10  -1.484  -4.724   0.921
   54    HA2  GLY  10           HA2      GLY  10  -1.997  -5.531  -1.852
   55    HA3  GLY  10           HA3      GLY  10  -0.588  -6.048  -0.913
   56    H    ILE  11           H        ILE  11  -1.974  -8.078  -1.901
   57    HA   ILE  11           HA       ILE  11  -4.117  -8.970  -0.322
   58    HB   ILE  11           HB       ILE  11  -2.030 -10.613  -1.814
   59   HG12  ILE  11          HG12      ILE  11  -4.817  -9.762  -2.654
   60   HG13  ILE  11          HG13      ILE  11  -3.322  -9.037  -3.231
   61   HG21  ILE  11          HG21      ILE  11  -3.169 -11.972  -0.137
   62   HG22  ILE  11          HG22      ILE  11  -3.696 -12.432  -1.761
   63   HG23  ILE  11          HG23      ILE  11  -4.736 -11.434  -0.743
   64   HD11  ILE  11          HD11      ILE  11  -2.691 -11.161  -4.256
   65   HD12  ILE  11          HD12      ILE  11  -4.247 -10.584  -4.854
   66   HD13  ILE  11          HD13      ILE  11  -4.188 -11.885  -3.664
   67    H    GLY  12           H        GLY  12  -4.127  -9.436   1.743
   68    HA2  GLY  12           HA2      GLY  12  -3.299 -10.820   3.530
   69    HA3  GLY  12           HA3      GLY  12  -1.669 -10.476   2.968
   70    H    TYR  13           H        TYR  13  -3.124  -7.640   2.585
   71    HA   TYR  13           HA       TYR  13  -2.518  -6.796   5.333
   72    HB2  TYR  13           HB2      TYR  13  -0.964  -5.922   3.558
   73    HB3  TYR  13           HB3      TYR  13  -2.342  -5.167   2.789
   74    HD1  TYR  13           HD1      TYR  13  -0.168  -5.070   5.781
   75    HD2  TYR  13           HD2      TYR  13  -3.222  -3.102   3.582
   76    HE1  TYR  13           HE1      TYR  13   0.192  -3.020   7.111
   77    HE2  TYR  13           HE2      TYR  13  -2.865  -1.066   4.895
   78    HH   TYR  13           HH       TYR  13  -1.991  -0.325   6.830
   79    H    SER  14           H        SER  14  -4.421  -6.586   6.358
   80    HA   SER  14           HA       SER  14  -6.702  -5.523   4.880
   81    HB2  SER  14           HB2      SER  14  -7.967  -6.612   6.775
   82    HB3  SER  14           HB3      SER  14  -7.088  -7.709   5.703
   83    HG   SER  14           HG       SER  14  -6.916  -7.859   8.141
   84    H    GLY  15           H        GLY  15  -4.414  -4.151   6.446
   85    HA2  GLY  15           HA2      GLY  15  -5.866  -2.781   8.564
   86    HA3  GLY  15           HA3      GLY  15  -4.171  -2.567   8.152
   87    HA   PRO  16           HA       PRO  16  -6.330   1.277   6.684
   88    HB2  PRO  16           HB2      PRO  16  -4.059   2.823   7.030
   89    HB3  PRO  16           HB3      PRO  16  -5.304   2.603   8.265
   90    HG2  PRO  16           HG2      PRO  16  -2.685   1.196   7.943
   91    HG3  PRO  16           HG3      PRO  16  -3.453   1.794   9.425
   92    HD2  PRO  16           HD2      PRO  16  -3.479  -0.785   8.773
   93    HD3  PRO  16           HD3      PRO  16  -4.888  -0.024   9.543
   94    H    THR  17           H        THR  17  -6.498   1.092   4.519
   95    HA   THR  17           HA       THR  17  -4.155   0.394   2.990
   96    HB   THR  17           HB       THR  17  -5.963   0.077   1.175
   97    HG1  THR  17           HG1      THR  17  -7.900   0.532   1.789
   98   HG21  THR  17          HG21      THR  17  -6.493  -2.160   2.069
   99   HG22  THR  17          HG22      THR  17  -5.919  -1.654   3.660
  100   HG23  THR  17          HG23      THR  17  -4.791  -1.762   2.312
  101    H    VAL  18           H        VAL  18  -5.675   3.225   3.749
  102    HA   VAL  18           HA       VAL  18  -5.131   4.396   1.140
  103    HB   VAL  18           HB       VAL  18  -7.311   4.963   2.124
  104   HG11  VAL  18          HG11      VAL  18  -6.844   4.786   4.458
  105   HG12  VAL  18          HG12      VAL  18  -7.495   6.393   4.116
  106   HG13  VAL  18          HG13      VAL  18  -5.766   6.176   4.391
  107   HG21  VAL  18          HG21      VAL  18  -5.462   7.347   2.038
  108   HG22  VAL  18          HG22      VAL  18  -7.222   7.417   1.942
  109   HG23  VAL  18          HG23      VAL  18  -6.302   6.623   0.666
  110    H    CYS  19           H        CYS  19  -3.473   5.800   0.764
  111    HA   CYS  19           HA       CYS  19  -1.472   5.997   2.862
  112    HB2  CYS  19           HB2      CYS  19  -1.272   6.924  -0.016
  113    HB3  CYS  19           HB3      CYS  19   0.023   6.713   1.141
  114    H    ALA  20           H        ALA  20  -0.310   8.086   2.997
  115    HA   ALA  20           HA       ALA  20  -2.092  10.224   3.495
  116    HB1  ALA  20           HB1      ALA  20  -0.046  11.518   3.964
  117    HB2  ALA  20           HB2      ALA  20   0.929  10.212   3.293
  118    HB3  ALA  20           HB3      ALA  20  -0.006   9.946   4.764
  119    H    SER  21           H        SER  21  -2.444  12.048   2.304
  120    HA   SER  21           HA       SER  21  -2.490  11.846  -0.442
  121    HB2  SER  21           HB2      SER  21  -2.612  14.303   1.303
  122    HB3  SER  21           HB3      SER  21  -3.158  14.211  -0.376
  123    HG   SER  21           HG       SER  21  -4.232  12.204   0.999
  124    H    GLY  22           H        GLY  22  -1.166  12.484  -2.013
  125    HA2  GLY  22           HA2      GLY  22   0.735  13.743  -2.818
  126    HA3  GLY  22           HA3      GLY  22   1.458  13.559  -1.220
  127    H    THR  23           H        THR  23   0.170  10.730  -1.355
  128    HA   THR  23           HA       THR  23   1.958   9.493  -3.280
  129    HB   THR  23           HB       THR  23   2.467   7.662  -1.671
  130    HG1  THR  23           HG1      THR  23   0.934   9.292   0.045
  131   HG21  THR  23          HG21      THR  23   4.151   8.851  -0.331
  132   HG22  THR  23          HG22      THR  23   3.387  10.386  -0.747
  133   HG23  THR  23          HG23      THR  23   4.136   9.401  -2.008
  134    H    THR  24           H        THR  24   1.133   7.625  -4.149
  135    HA   THR  24           HA       THR  24  -1.679   7.152  -3.494
  136    HB   THR  24           HB       THR  24  -1.789   6.219  -5.860
  137    HG1  THR  24           HG1      THR  24   0.866   6.984  -5.760
  138   HG21  THR  24          HG21      THR  24  -1.174   9.150  -5.466
  139   HG22  THR  24          HG22      THR  24  -2.753   8.381  -5.278
  140   HG23  THR  24          HG23      THR  24  -1.993   8.461  -6.865
  141    H    CYS  25           H        CYS  25  -2.347   5.135  -3.029
  142    HA   CYS  25           HA       CYS  25  -0.417   3.125  -2.467
  143    HB2  CYS  25           HB2      CYS  25  -2.481   3.295  -1.150
  144    HB3  CYS  25           HB3      CYS  25  -3.438   2.960  -2.591
  145    H    GLN  26           H        GLN  26   0.651   2.395  -4.232
  146    HA   GLN  26           HA       GLN  26  -0.998   1.467  -6.450
  147    HB2  GLN  26           HB2      GLN  26   1.926   2.202  -6.422
  148    HB3  GLN  26           HB3      GLN  26   1.057   1.580  -7.817
  149    HG2  GLN  26           HG2      GLN  26  -0.458   3.552  -7.674
  150    HG3  GLN  26           HG3      GLN  26   0.578   4.189  -6.399
  151   HE21  GLN  26          HE21      GLN  26   1.046   5.993  -7.637
  152   HE22  GLN  26          HE22      GLN  26   2.135   5.918  -8.983
  153    H    VAL  27           H        VAL  27  -1.093  -0.551  -6.899
  154    HA   VAL  27           HA       VAL  27   0.130  -2.468  -5.154
  155    HB   VAL  27           HB       VAL  27  -1.613  -2.887  -7.606
  156   HG11  VAL  27          HG11      VAL  27  -0.914  -4.805  -5.381
  157   HG12  VAL  27          HG12      VAL  27  -0.326  -4.890  -7.039
  158   HG13  VAL  27          HG13      VAL  27  -2.041  -5.123  -6.700
  159   HG21  VAL  27          HG21      VAL  27  -3.440  -3.219  -6.022
  160   HG22  VAL  27          HG22      VAL  27  -2.754  -1.598  -5.875
  161   HG23  VAL  27          HG23      VAL  27  -2.355  -2.838  -4.688
  162    H    LEU  28           H        LEU  28   2.172  -2.930  -5.454
  163    HA   LEU  28           HA       LEU  28   3.377  -2.847  -8.099
  164    HB2  LEU  28           HB2      LEU  28   4.596  -3.505  -5.405
  165    HB3  LEU  28           HB3      LEU  28   5.497  -3.289  -6.884
  166    HG   LEU  28           HG       LEU  28   3.967  -1.163  -5.388
  167   HD11  LEU  28          HD11      LEU  28   6.917  -1.576  -5.808
  168   HD12  LEU  28          HD12      LEU  28   6.034  -1.809  -4.298
  169   HD13  LEU  28          HD13      LEU  28   6.176  -0.197  -4.998
  170   HD21  LEU  28          HD21      LEU  28   3.856  -0.776  -7.797
  171   HD22  LEU  28          HD22      LEU  28   5.606  -0.950  -7.912
  172   HD23  LEU  28          HD23      LEU  28   4.909   0.400  -7.019
  173    H    ASN  29           H        ASN  29   3.656  -5.101  -5.447
  174    HA   ASN  29           HA       ASN  29   3.506  -7.343  -7.309
  175    HB2  ASN  29           HB2      ASN  29   4.187  -7.266  -4.337
  176    HB3  ASN  29           HB3      ASN  29   4.204  -8.694  -5.355
  177   HD21  ASN  29          HD21      ASN  29   6.351  -7.483  -3.790
  178   HD22  ASN  29          HD22      ASN  29   7.618  -7.156  -4.907
  179    HA   PRO  30           HA       PRO  30  -0.697  -8.200  -6.082
  180    HB2  PRO  30           HB2      PRO  30   0.037 -10.889  -5.074
  181    HB3  PRO  30           HB3      PRO  30  -1.125 -10.447  -6.330
  182    HG2  PRO  30           HG2      PRO  30   1.222 -11.565  -6.950
  183    HG3  PRO  30           HG3      PRO  30   0.503 -10.312  -7.972
  184    HD2  PRO  30           HD2      PRO  30   2.736 -10.118  -6.019
  185    HD3  PRO  30           HD3      PRO  30   2.550  -9.317  -7.590
  186    H    TYR  31           H        TYR  31   1.779  -9.200  -3.814
  187    HA   TYR  31           HA       TYR  31  -0.117  -8.891  -1.599
  188    HB2  TYR  31           HB2      TYR  31   2.694  -9.998  -1.637
  189    HB3  TYR  31           HB3      TYR  31   1.627  -9.966  -0.243
  190    HD1  TYR  31           HD1      TYR  31  -0.057 -11.638   0.041
  191    HD2  TYR  31           HD2      TYR  31   2.137 -11.459  -3.591
  192    HE1  TYR  31           HE1      TYR  31  -0.958 -13.821  -0.605
  193    HE2  TYR  31           HE2      TYR  31   1.236 -13.643  -4.251
  194    HH   TYR  31           HH       TYR  31  -1.350 -15.097  -2.567
  195    H    TYR  32           H        TYR  32   2.663  -7.386  -3.049
  196    HA   TYR  32           HA       TYR  32   2.869  -5.598  -0.746
  197    HB2  TYR  32           HB2      TYR  32   4.911  -6.834  -1.415
  198    HB3  TYR  32           HB3      TYR  32   4.883  -5.980  -2.953
  199    HD1  TYR  32           HD1      TYR  32   4.986  -5.397   0.710
  200    HD2  TYR  32           HD2      TYR  32   6.046  -3.958  -3.156
  201    HE1  TYR  32           HE1      TYR  32   6.345  -3.639   1.745
  202    HE2  TYR  32           HE2      TYR  32   7.402  -2.189  -2.123
  203    HH   TYR  32           HH       TYR  32   7.655  -1.025  -0.050
  204    H    SER  33           H        SER  33   1.763  -3.813  -0.989
  205    HA   SER  33           HA       SER  33   1.894  -2.419  -3.566
  206    HB2  SER  33           HB2      SER  33  -0.319  -2.273  -1.502
  207    HB3  SER  33           HB3      SER  33  -0.302  -1.484  -3.078
  208    HG   SER  33           HG       SER  33  -1.446  -3.615  -2.775
  209    H    GLN  34           H        GLN  34   2.377  -0.168  -3.373
  210    HA   GLN  34           HA       GLN  34   3.217   0.574  -0.678
  211    HB2  GLN  34           HB2      GLN  34   5.108  -0.463  -1.877
  212    HB3  GLN  34           HB3      GLN  34   4.957   0.751  -3.133
  213    HG2  GLN  34           HG2      GLN  34   5.537   2.487  -1.565
  214    HG3  GLN  34           HG3      GLN  34   5.597   1.309  -0.253
  215   HE21  GLN  34          HE21      GLN  34   7.160   2.518  -3.051
  216   HE22  GLN  34          HE22      GLN  34   8.666   1.710  -2.820
  217    H    CYS  35           H        CYS  35   3.198   2.713  -0.249
  218    HA   CYS  35           HA       CYS  35   1.598   4.411  -1.889
  219    HB2  CYS  35           HB2      CYS  35   3.230   5.094   0.553
  220    HB3  CYS  35           HB3      CYS  35   1.916   6.048  -0.131
  221    H    LEU  36           H        LEU  36   2.355   5.280  -3.630
  222    HA   LEU  36           HA       LEU  36   5.085   6.322  -3.708
  223    HB2  LEU  36           HB2      LEU  36   3.464   4.997  -5.878
  224    HB3  LEU  36           HB3      LEU  36   4.996   5.807  -6.134
  225    HG   LEU  36           HG       LEU  36   4.699   3.420  -4.316
  226   HD11  LEU  36          HD11      LEU  36   5.642   2.125  -6.133
  227   HD12  LEU  36          HD12      LEU  36   5.604   3.541  -7.180
  228   HD13  LEU  36          HD13      LEU  36   4.094   2.819  -6.619
  229   HD21  LEU  36          HD21      LEU  36   6.641   4.777  -3.850
  230   HD22  LEU  36          HD22      LEU  36   7.039   4.835  -5.562
  231   HD23  LEU  36          HD23      LEU  36   7.155   3.310  -4.699
  232    H1   MAN 101           H1       MAN 101   5.448   6.246   7.779
  233    H2   MAN 101           H2       MAN 101   3.431   5.905   9.184
  234    H3   MAN 101           H3       MAN 101   2.306   8.001   8.714
  235    H4   MAN 101           H4       MAN 101   4.598   9.272  10.266
  236    H5   MAN 101           H5       MAN 101   3.747   9.486   7.336
  237    H61  MAN 101           H61      MAN 101   4.694  11.558   8.244
  238    H62  MAN 101           H62      MAN 101   5.768  10.828   7.027
  239    HO2  MAN 101           HO2      MAN 101   4.498   6.553  11.103
  240    HO3  MAN 101           HO3      MAN 101   3.161   7.887  11.451
  241    HO4  MAN 101           HO4      MAN 101   2.513  10.196  10.561
  242    HO6  MAN 101           HO6      MAN 101   6.163  11.321   9.700
  Start of MODEL   15
    1    H1   THR   1           H1       THR   1  -3.368   5.207   9.057
    2    H2   THR   1           H2       THR   1  -3.851   6.852   9.128
    3    H3   THR   1           H3       THR   1  -2.248   6.422   9.363
    4    HA   THR   1           HA       THR   1  -3.648   6.039   6.833
    5    HB   THR   1           HB       THR   1  -1.572   8.139   7.535
    6    HG1  THR   1           HG1      THR   1  -3.054   9.276   8.470
    7   HG21  THR   1          HG21      THR   1  -2.029   7.683   5.140
    8   HG22  THR   1          HG22      THR   1  -2.537   9.305   5.606
    9   HG23  THR   1          HG23      THR   1  -3.737   8.027   5.416
   10    H    GLN   2           H        GLN   2  -1.908   5.644   5.145
   11    HA   GLN   2           HA       GLN   2   0.507   4.487   6.314
   12    HB2  GLN   2           HB2      GLN   2  -0.978   2.860   5.100
   13    HB3  GLN   2           HB3      GLN   2  -0.813   3.844   3.651
   14    HG2  GLN   2           HG2      GLN   2   0.649   1.897   3.587
   15    HG3  GLN   2           HG3      GLN   2   1.572   3.398   3.599
   16   HE21  GLN   2          HE21      GLN   2   0.745   0.561   5.324
   17   HE22  GLN   2          HE22      GLN   2   1.875   0.706   6.607
   18    H    SER   3           H        SER   3   2.471   4.996   5.039
   19    HA   SER   3           HA       SER   3   2.065   7.413   3.457
   20    HB2  SER   3           HB2      SER   3   2.757   7.979   5.781
   21    HB3  SER   3           HB3      SER   3   4.235   7.046   5.537
   22    H    HIS   4           H        HIS   4   4.460   7.982   2.563
   23    HA   HIS   4           HA       HIS   4   4.992   6.301   0.461
   24    HB2  HIS   4           HB2      HIS   4   5.796   8.614   0.573
   25    HB3  HIS   4           HB3      HIS   4   6.902   8.181   1.868
   26    HD1  HIS   4           HD1      HIS   4   9.238   7.716   1.114
   27    HD2  HIS   4           HD2      HIS   4   6.479   7.181  -1.940
   28    HE1  HIS   4           HE1      HIS   4  10.579   7.174  -0.905
   29    HE2  HIS   4           HE2      HIS   4   8.920   7.200  -2.773
   30    H    ALA   5           H        ALA   5   6.062   4.505   0.151
   31    HA   ALA   5           HA       ALA   5   7.414   2.746   0.328
   32    HB1  ALA   5           HB1      ALA   5   8.735   4.059   2.705
   33    HB2  ALA   5           HB2      ALA   5   9.212   4.299   1.026
   34    HB3  ALA   5           HB3      ALA   5   9.368   2.705   1.764
   35    H    GLY   6           H        GLY   6   5.022   3.439   2.285
   36    HA2  GLY   6           HA2      GLY   6   5.314   1.078   3.969
   37    HA3  GLY   6           HA3      GLY   6   4.061   2.308   4.088
   38    H    GLN   7           H        GLN   7   3.609  -0.522   3.960
   39    HA   GLN   7           HA       GLN   7   2.691  -1.082   1.290
   40    HB2  GLN   7           HB2      GLN   7   3.593  -2.838   2.871
   41    HB3  GLN   7           HB3      GLN   7   2.140  -2.620   3.834
   42    HG2  GLN   7           HG2      GLN   7   0.772  -3.322   1.948
   43    HG3  GLN   7           HG3      GLN   7   2.208  -3.542   0.958
   44   HE21  GLN   7          HE21      GLN   7   0.279  -5.547   1.568
   45   HE22  GLN   7          HE22      GLN   7   1.122  -6.755   2.463
   46    H    CYS   8           H        CYS   8   0.855  -0.308   0.593
   47    HA   CYS   8           HA       CYS   8  -1.002   0.882   2.487
   48    HB2  CYS   8           HB2      CYS   8  -2.083   1.746   0.467
   49    HB3  CYS   8           HB3      CYS   8  -0.413   2.272   0.692
   50    H    GLY   9           H        GLY   9  -0.874  -1.934   0.488
   51    HA2  GLY   9           HA2      GLY   9  -2.976  -3.199   1.622
   52    HA3  GLY   9           HA3      GLY   9  -3.763  -2.105   0.499
   53    H    GLY  10           H        GLY  10  -1.803  -4.838   0.901
   54    HA2  GLY  10           HA2      GLY  10  -2.300  -5.506  -1.897
   55    HA3  GLY  10           HA3      GLY  10  -0.935  -6.135  -0.965
   56    H    ILE  11           H        ILE  11  -2.316  -8.095  -1.942
   57    HA   ILE  11           HA       ILE  11  -4.612  -8.877  -0.502
   58    HB   ILE  11           HB       ILE  11  -2.566 -10.697  -1.832
   59   HG12  ILE  11          HG12      ILE  11  -5.062  -9.456  -3.034
   60   HG13  ILE  11          HG13      ILE  11  -3.420  -8.922  -3.363
   61   HG21  ILE  11          HG21      ILE  11  -5.496 -11.129  -1.199
   62   HG22  ILE  11          HG22      ILE  11  -4.136 -11.878  -0.365
   63   HG23  ILE  11          HG23      ILE  11  -4.451 -12.263  -2.057
   64   HD11  ILE  11          HD11      ILE  11  -2.914 -11.087  -4.372
   65   HD12  ILE  11          HD12      ILE  11  -4.290 -10.313  -5.162
   66   HD13  ILE  11          HD13      ILE  11  -4.556 -11.633  -4.025
   67    H    GLY  12           H        GLY  12  -4.639  -9.172   1.639
   68    HA2  GLY  12           HA2      GLY  12  -4.028 -10.685   3.435
   69    HA3  GLY  12           HA3      GLY  12  -2.359 -10.559   2.887
   70    H    TYR  13           H        TYR  13  -3.510  -7.558   2.526
   71    HA   TYR  13           HA       TYR  13  -2.506  -6.788   5.167
   72    HB2  TYR  13           HB2      TYR  13  -1.335  -5.877   3.161
   73    HB3  TYR  13           HB3      TYR  13  -2.839  -5.116   2.666
   74    HD1  TYR  13           HD1      TYR  13  -0.227  -5.131   5.281
   75    HD2  TYR  13           HD2      TYR  13  -3.466  -3.001   3.545
   76    HE1  TYR  13           HE1      TYR  13   0.397  -3.135   6.575
   77    HE2  TYR  13           HE2      TYR  13  -2.851  -1.013   4.821
   78    HH   TYR  13           HH       TYR  13  -1.660  -0.323   6.588
   79    H    SER  14           H        SER  14  -3.860  -5.909   6.608
   80    HA   SER  14           HA       SER  14  -6.490  -5.032   5.674
   81    HB2  SER  14           HB2      SER  14  -7.267  -6.087   7.913
   82    HB3  SER  14           HB3      SER  14  -6.945  -7.123   6.519
   83    HG   SER  14           HG       SER  14  -5.527  -8.075   7.624
   84    H    GLY  15           H        GLY  15  -3.779  -3.941   6.992
   85    HA2  GLY  15           HA2      GLY  15  -4.834  -2.356   9.169
   86    HA3  GLY  15           HA3      GLY  15  -3.216  -2.248   8.488
   87    HA   PRO  16           HA       PRO  16  -5.326   1.655   7.223
   88    HB2  PRO  16           HB2      PRO  16  -2.964   3.062   6.933
   89    HB3  PRO  16           HB3      PRO  16  -3.904   2.980   8.424
   90    HG2  PRO  16           HG2      PRO  16  -1.488   1.425   7.622
   91    HG3  PRO  16           HG3      PRO  16  -1.913   2.111   9.200
   92    HD2  PRO  16           HD2      PRO  16  -2.195  -0.503   8.653
   93    HD3  PRO  16           HD3      PRO  16  -3.320   0.355   9.726
   94    H    THR  17           H        THR  17  -6.006   1.439   5.181
   95    HA   THR  17           HA       THR  17  -4.167   0.608   3.099
   96    HB   THR  17           HB       THR  17  -6.425   0.546   1.818
   97    HG1  THR  17           HG1      THR  17  -8.180   0.738   2.975
   98   HG21  THR  17          HG21      THR  17  -5.165  -1.456   2.505
   99   HG22  THR  17          HG22      THR  17  -6.896  -1.702   2.737
  100   HG23  THR  17          HG23      THR  17  -5.864  -1.346   4.119
  101    H    VAL  18           H        VAL  18  -5.526   3.470   4.222
  102    HA   VAL  18           HA       VAL  18  -5.371   4.702   1.608
  103    HB   VAL  18           HB       VAL  18  -7.308   5.310   2.993
  104   HG11  VAL  18          HG11      VAL  18  -6.385   5.070   5.202
  105   HG12  VAL  18          HG12      VAL  18  -7.077   6.679   5.015
  106   HG13  VAL  18          HG13      VAL  18  -5.330   6.457   4.944
  107   HG21  VAL  18          HG21      VAL  18  -7.149   7.768   2.850
  108   HG22  VAL  18          HG22      VAL  18  -6.545   6.964   1.399
  109   HG23  VAL  18          HG23      VAL  18  -5.412   7.619   2.583
  110    H    CYS  19           H        CYS  19  -3.715   5.825   0.906
  111    HA   CYS  19           HA       CYS  19  -1.381   6.165   2.584
  112    HB2  CYS  19           HB2      CYS  19  -1.824   6.879  -0.333
  113    HB3  CYS  19           HB3      CYS  19  -0.290   6.915   0.521
  114    H    ALA  20           H        ALA  20  -0.439   8.179   2.939
  115    HA   ALA  20           HA       ALA  20  -2.077  10.392   3.420
  116    HB1  ALA  20           HB1      ALA  20   0.038  11.647   3.637
  117    HB2  ALA  20           HB2      ALA  20   0.905  10.299   2.904
  118    HB3  ALA  20           HB3      ALA  20   0.122  10.092   4.469
  119    H    SER  21           H        SER  21  -2.896  11.894   2.052
  120    HA   SER  21           HA       SER  21  -2.851  11.574  -0.666
  121    HB2  SER  21           HB2      SER  21  -3.439  14.083   0.904
  122    HB3  SER  21           HB3      SER  21  -3.952  13.748  -0.754
  123    HG   SER  21           HG       SER  21  -5.230  12.096  -0.039
  124    H    GLY  22           H        GLY  22  -1.655  12.278  -2.298
  125    HA2  GLY  22           HA2      GLY  22   0.045  13.700  -3.234
  126    HA3  GLY  22           HA3      GLY  22   0.805  13.743  -1.637
  127    H    THR  23           H        THR  23   0.061  10.836  -1.270
  128    HA   THR  23           HA       THR  23   1.926   9.668  -3.186
  129    HB   THR  23           HB       THR  23   2.439   7.893  -1.522
  130    HG1  THR  23           HG1      THR  23   0.649   9.394   0.078
  131   HG21  THR  23          HG21      THR  23   3.834   9.220  -0.010
  132   HG22  THR  23          HG22      THR  23   2.961  10.680  -0.490
  133   HG23  THR  23          HG23      THR  23   3.935   9.804  -1.673
  134    H    THR  24           H        THR  24   1.325   7.695  -4.099
  135    HA   THR  24           HA       THR  24  -1.537   7.176  -3.811
  136    HB   THR  24           HB       THR  24  -1.388   6.334  -6.192
  137    HG1  THR  24           HG1      THR  24   1.266   7.164  -5.801
  138   HG21  THR  24          HG21      THR  24  -1.436   8.579  -7.184
  139   HG22  THR  24          HG22      THR  24  -0.673   9.234  -5.735
  140   HG23  THR  24          HG23      THR  24  -2.292   8.548  -5.641
  141    H    CYS  25           H        CYS  25  -2.230   5.085  -3.710
  142    HA   CYS  25           HA       CYS  25  -0.314   3.168  -2.769
  143    HB2  CYS  25           HB2      CYS  25  -2.534   3.304  -1.733
  144    HB3  CYS  25           HB3      CYS  25  -3.290   2.916  -3.272
  145    H    GLN  26           H        GLN  26   0.997   2.457  -4.359
  146    HA   GLN  26           HA       GLN  26  -0.252   1.603  -6.855
  147    HB2  GLN  26           HB2      GLN  26   2.643   2.196  -6.237
  148    HB3  GLN  26           HB3      GLN  26   2.017   1.707  -7.806
  149    HG2  GLN  26           HG2      GLN  26   0.628   3.746  -7.850
  150    HG3  GLN  26           HG3      GLN  26   1.355   4.243  -6.327
  151   HE21  GLN  26          HE21      GLN  26   2.207   6.100  -7.209
  152   HE22  GLN  26          HE22      GLN  26   3.543   6.082  -8.303
  153    H    VAL  27           H        VAL  27  -0.367  -0.448  -7.323
  154    HA   VAL  27           HA       VAL  27   0.563  -2.392  -5.435
  155    HB   VAL  27           HB       VAL  27  -0.773  -2.802  -8.131
  156   HG11  VAL  27          HG11      VAL  27   0.370  -4.793  -7.394
  157   HG12  VAL  27          HG12      VAL  27  -1.374  -5.018  -7.232
  158   HG13  VAL  27          HG13      VAL  27  -0.391  -4.675  -5.811
  159   HG21  VAL  27          HG21      VAL  27  -2.856  -3.109  -6.858
  160   HG22  VAL  27          HG22      VAL  27  -2.195  -1.487  -6.653
  161   HG23  VAL  27          HG23      VAL  27  -2.002  -2.684  -5.373
  162    H    LEU  28           H        LEU  28   2.575  -3.090  -5.491
  163    HA   LEU  28           HA       LEU  28   4.112  -2.814  -7.955
  164    HB2  LEU  28           HB2      LEU  28   5.039  -3.542  -5.163
  165    HB3  LEU  28           HB3      LEU  28   6.072  -3.206  -6.533
  166    HG   LEU  28           HG       LEU  28   4.318  -1.228  -5.087
  167   HD11  LEU  28          HD11      LEU  28   7.309  -1.527  -5.239
  168   HD12  LEU  28          HD12      LEU  28   6.289  -1.846  -3.835
  169   HD13  LEU  28          HD13      LEU  28   6.448  -0.204  -4.455
  170   HD21  LEU  28          HD21      LEU  28   6.179  -0.805  -7.424
  171   HD22  LEU  28          HD22      LEU  28   5.350   0.467  -6.527
  172   HD23  LEU  28          HD23      LEU  28   4.416  -0.696  -7.471
  173    H    ASN  29           H        ASN  29   4.027  -5.132  -5.328
  174    HA   ASN  29           HA       ASN  29   4.247  -7.332  -7.241
  175    HB2  ASN  29           HB2      ASN  29   4.463  -7.348  -4.193
  176    HB3  ASN  29           HB3      ASN  29   4.739  -8.709  -5.268
  177   HD21  ASN  29          HD21      ASN  29   6.537  -7.364  -3.340
  178   HD22  ASN  29          HD22      ASN  29   7.923  -6.926  -4.256
  179    HA   PRO  30           HA       PRO  30  -0.045  -8.411  -6.869
  180    HB2  PRO  30           HB2      PRO  30   0.626 -11.056  -5.675
  181    HB3  PRO  30           HB3      PRO  30  -0.356 -10.685  -7.098
  182    HG2  PRO  30           HG2      PRO  30   2.092 -11.674  -7.383
  183    HG3  PRO  30           HG3      PRO  30   1.495 -10.401  -8.464
  184    HD2  PRO  30           HD2      PRO  30   3.372 -10.205  -6.149
  185    HD3  PRO  30           HD3      PRO  30   3.448  -9.372  -7.717
  186    H    TYR  31           H        TYR  31   1.870  -9.319  -4.041
  187    HA   TYR  31           HA       TYR  31  -0.482  -8.854  -2.357
  188    HB2  TYR  31           HB2      TYR  31   2.138 -10.201  -1.630
  189    HB3  TYR  31           HB3      TYR  31   0.747 -10.014  -0.575
  190    HD1  TYR  31           HD1      TYR  31  -0.963 -11.619  -0.574
  191    HD2  TYR  31           HD2      TYR  31   1.854 -11.609  -3.756
  192    HE1  TYR  31           HE1      TYR  31  -1.879 -13.741  -1.396
  193    HE2  TYR  31           HE2      TYR  31   0.955 -13.713  -4.583
  194    HH   TYR  31           HH       TYR  31  -1.997 -14.983  -3.387
  195    H    TYR  32           H        TYR  32   2.531  -7.467  -3.251
  196    HA   TYR  32           HA       TYR  32   2.444  -5.770  -0.860
  197    HB2  TYR  32           HB2      TYR  32   4.556  -7.044  -1.521
  198    HB3  TYR  32           HB3      TYR  32   4.709  -5.881  -2.831
  199    HD1  TYR  32           HD1      TYR  32   5.456  -3.610  -2.397
  200    HD2  TYR  32           HD2      TYR  32   4.780  -6.337   0.796
  201    HE1  TYR  32           HE1      TYR  32   6.645  -2.101  -0.852
  202    HE2  TYR  32           HE2      TYR  32   5.951  -4.843   2.341
  203    HH   TYR  32           HH       TYR  32   7.665  -3.139   2.177
  204    H    SER  33           H        SER  33   1.349  -3.994  -1.179
  205    HA   SER  33           HA       SER  33   1.699  -2.482  -3.674
  206    HB2  SER  33           HB2      SER  33  -0.591  -2.340  -1.687
  207    HB3  SER  33           HB3      SER  33  -0.522  -1.533  -3.250
  208    HG   SER  33           HG       SER  33  -1.741  -3.587  -3.005
  209    H    GLN  34           H        GLN  34   2.406  -0.335  -3.367
  210    HA   GLN  34           HA       GLN  34   3.053   0.328  -0.579
  211    HB2  GLN  34           HB2      GLN  34   4.958  -0.757  -1.731
  212    HB3  GLN  34           HB3      GLN  34   4.917   0.513  -2.938
  213    HG2  GLN  34           HG2      GLN  34   5.464   2.154  -1.226
  214    HG3  GLN  34           HG3      GLN  34   5.492   0.876  -0.012
  215   HE21  GLN  34          HE21      GLN  34   7.110   2.277  -2.703
  216   HE22  GLN  34          HE22      GLN  34   8.604   1.448  -2.500
  217    H    CYS  35           H        CYS  35   3.030   2.490  -0.098
  218    HA   CYS  35           HA       CYS  35   1.648   4.221  -1.922
  219    HB2  CYS  35           HB2      CYS  35   2.967   4.929   0.703
  220    HB3  CYS  35           HB3      CYS  35   1.830   5.928  -0.187
  221    H    LEU  36           H        LEU  36   2.550   5.214  -3.497
  222    HA   LEU  36           HA       LEU  36   5.229   6.315  -3.234
  223    HB2  LEU  36           HB2      LEU  36   3.936   5.063  -5.664
  224    HB3  LEU  36           HB3      LEU  36   5.418   5.988  -5.717
  225    HG   LEU  36           HG       LEU  36   5.061   3.376  -4.236
  226   HD11  LEU  36          HD11      LEU  36   4.976   3.078  -6.661
  227   HD12  LEU  36          HD12      LEU  36   6.486   2.452  -5.995
  228   HD13  LEU  36          HD13      LEU  36   6.468   4.002  -6.830
  229   HD21  LEU  36          HD21      LEU  36   7.517   3.465  -4.056
  230   HD22  LEU  36          HD22      LEU  36   6.731   4.781  -3.189
  231   HD23  LEU  36          HD23      LEU  36   7.495   5.086  -4.751
  232    H1   MAN 101           H1       MAN 101   5.368   9.225   6.046
  233    H2   MAN 101           H2       MAN 101   2.587  10.455   5.592
  234    H3   MAN 101           H3       MAN 101   3.569  12.495   5.797
  235    H4   MAN 101           H4       MAN 101   5.646  11.136   7.572
  236    H5   MAN 101           H5       MAN 101   6.168  12.609   4.942
  237    H61  MAN 101           H61      MAN 101   7.443  10.256   6.408
  238    H62  MAN 101           H62      MAN 101   8.154  11.864   6.154
  239    HO2  MAN 101           HO2      MAN 101   2.693  10.302   7.865
  240    HO3  MAN 101           HO3      MAN 101   3.436  12.989   8.048
  241    HO4  MAN 101           HO4      MAN 101   6.581  13.274   7.507
  242    HO6  MAN 101           HO6      MAN 101   7.299  10.577   3.841
  Start of MODEL   16
    1    H1   THR   1           H1       THR   1  -3.683   6.394   9.154
    2    H2   THR   1           H2       THR   1  -2.002   6.370   9.409
    3    H3   THR   1           H3       THR   1  -2.811   4.970   8.948
    4    HA   THR   1           HA       THR   1  -3.340   5.893   6.827
    5    HB   THR   1           HB       THR   1  -1.702   8.279   7.689
    6    HG1  THR   1           HG1      THR   1  -4.540   8.313   7.520
    7   HG21  THR   1          HG21      THR   1  -1.955   7.903   5.268
    8   HG22  THR   1          HG22      THR   1  -2.818   9.355   5.776
    9   HG23  THR   1          HG23      THR   1  -3.707   7.867   5.458
   10    H    GLN   2           H        GLN   2  -1.862   5.105   5.252
   11    HA   GLN   2           HA       GLN   2   0.719   4.365   6.285
   12    HB2  GLN   2           HB2      GLN   2  -0.647   2.795   4.885
   13    HB3  GLN   2           HB3      GLN   2  -0.448   3.892   3.525
   14    HG2  GLN   2           HG2      GLN   2   1.081   1.979   3.425
   15    HG3  GLN   2           HG3      GLN   2   1.969   3.494   3.530
   16   HE21  GLN   2          HE21      GLN   2   1.128   0.568   5.127
   17   HE22  GLN   2          HE22      GLN   2   2.260   0.712   6.420
   18    H    SER   3           H        SER   3   2.665   5.090   5.470
   19    HA   SER   3           HA       SER   3   2.552   7.837   4.523
   20    HB2  SER   3           HB2      SER   3   4.942   7.742   5.305
   21    HB3  SER   3           HB3      SER   3   3.706   7.487   6.551
   22    H    HIS   4           H        HIS   4   4.770   8.343   3.298
   23    HA   HIS   4           HA       HIS   4   4.689   7.091   0.775
   24    HB2  HIS   4           HB2      HIS   4   5.502   9.427   1.157
   25    HB3  HIS   4           HB3      HIS   4   6.894   8.774   2.008
   26    HD1  HIS   4           HD1      HIS   4   8.921   8.294   0.601
   27    HD2  HIS   4           HD2      HIS   4   5.468   8.684  -1.672
   28    HE1  HIS   4           HE1      HIS   4   9.673   8.266  -1.768
   29    HE2  HIS   4           HE2      HIS   4   7.618   8.984  -3.015
   30    H    ALA   5           H        ALA   5   5.555   5.264   0.175
   31    HA   ALA   5           HA       ALA   5   6.587   3.329   0.147
   32    HB1  ALA   5           HB1      ALA   5   8.658   4.665  -0.030
   33    HB2  ALA   5           HB2      ALA   5   8.917   3.124   0.796
   34    HB3  ALA   5           HB3      ALA   5   8.811   4.615   1.727
   35    H    GLY   6           H        GLY   6   5.004   2.385   1.234
   36    HA2  GLY   6           HA2      GLY   6   5.737   0.965   3.563
   37    HA3  GLY   6           HA3      GLY   6   4.459   2.151   3.850
   38    H    GLN   7           H        GLN   7   4.000  -0.672   3.940
   39    HA   GLN   7           HA       GLN   7   2.803  -1.262   1.394
   40    HB2  GLN   7           HB2      GLN   7   3.873  -3.092   2.632
   41    HB3  GLN   7           HB3      GLN   7   2.723  -2.880   3.946
   42    HG2  GLN   7           HG2      GLN   7   0.903  -3.559   2.565
   43    HG3  GLN   7           HG3      GLN   7   1.902  -3.601   1.125
   44   HE21  GLN   7          HE21      GLN   7   0.318  -5.701   2.262
   45   HE22  GLN   7          HE22      GLN   7   1.384  -6.988   2.667
   46    H    CYS   8           H        CYS   8   1.033  -0.393   0.876
   47    HA   CYS   8           HA       CYS   8  -0.818   0.573   2.865
   48    HB2  CYS   8           HB2      CYS   8  -2.017   1.374   0.726
   49    HB3  CYS   8           HB3      CYS   8  -0.493   2.124   1.197
   50    H    GLY   9           H        GLY   9  -0.984  -1.798   0.205
   51    HA2  GLY   9           HA2      GLY   9  -2.964  -3.251   1.621
   52    HA3  GLY   9           HA3      GLY   9  -3.720  -2.196   0.446
   53    H    GLY  10           H        GLY  10  -1.682  -4.893   0.940
   54    HA2  GLY  10           HA2      GLY  10  -2.161  -5.701  -1.844
   55    HA3  GLY  10           HA3      GLY  10  -0.791  -6.256  -0.866
   56    H    ILE  11           H        ILE  11  -2.201  -8.295  -1.816
   57    HA   ILE  11           HA       ILE  11  -4.433  -9.071  -0.278
   58    HB   ILE  11           HB       ILE  11  -2.341 -10.892  -1.542
   59   HG12  ILE  11          HG12      ILE  11  -4.980  -9.908  -2.670
   60   HG13  ILE  11          HG13      ILE  11  -3.394  -9.326  -3.158
   61   HG21  ILE  11          HG21      ILE  11  -3.728 -12.065   0.107
   62   HG22  ILE  11          HG22      ILE  11  -4.117 -12.600  -1.525
   63   HG23  ILE  11          HG23      ILE  11  -5.188 -11.474  -0.690
   64   HD11  ILE  11          HD11      ILE  11  -2.843 -11.567  -3.990
   65   HD12  ILE  11          HD12      ILE  11  -4.274 -10.903  -4.773
   66   HD13  ILE  11          HD13      ILE  11  -4.446 -12.129  -3.514
   67    H    GLY  12           H        GLY  12  -4.524  -9.443   1.863
   68    HA2  GLY  12           HA2      GLY  12  -3.772 -10.766   3.729
   69    HA3  GLY  12           HA3      GLY  12  -2.120 -10.507   3.181
   70    H    TYR  13           H        TYR  13  -3.195  -7.635   2.594
   71    HA   TYR  13           HA       TYR  13  -2.731  -6.677   5.339
   72    HB2  TYR  13           HB2      TYR  13  -0.980  -6.196   3.518
   73    HB3  TYR  13           HB3      TYR  13  -2.185  -5.151   2.790
   74    HD1  TYR  13           HD1      TYR  13  -2.971  -3.115   4.044
   75    HD2  TYR  13           HD2      TYR  13   0.274  -5.501   5.388
   76    HE1  TYR  13           HE1      TYR  13  -2.242  -1.288   5.507
   77    HE2  TYR  13           HE2      TYR  13   1.011  -3.688   6.863
   78    HH   TYR  13           HH       TYR  13   0.789  -1.252   6.952
   79    H    SER  14           H        SER  14  -4.494  -5.718   6.184
   80    HA   SER  14           HA       SER  14  -6.299  -4.301   4.374
   81    HB2  SER  14           HB2      SER  14  -8.237  -5.266   5.727
   82    HB3  SER  14           HB3      SER  14  -7.400  -6.362   4.626
   83    HG   SER  14           HG       SER  14  -6.814  -6.145   7.398
   84    H    GLY  15           H        GLY  15  -4.246  -3.718   6.516
   85    HA2  GLY  15           HA2      GLY  15  -5.668  -2.265   8.560
   86    HA3  GLY  15           HA3      GLY  15  -3.939  -2.224   8.255
   87    HA   PRO  16           HA       PRO  16  -5.113   1.907   6.783
   88    HB2  PRO  16           HB2      PRO  16  -2.534   2.798   6.497
   89    HB3  PRO  16           HB3      PRO  16  -3.428   2.870   8.018
   90    HG2  PRO  16           HG2      PRO  16  -1.393   0.881   7.107
   91    HG3  PRO  16           HG3      PRO  16  -1.622   1.588   8.715
   92    HD2  PRO  16           HD2      PRO  16  -2.456  -0.907   8.088
   93    HD3  PRO  16           HD3      PRO  16  -3.316   0.117   9.252
   94    H    THR  17           H        THR  17  -5.898   0.965   4.814
   95    HA   THR  17           HA       THR  17  -4.011   0.427   2.706
   96    HB   THR  17           HB       THR  17  -6.083  -0.019   1.337
   97    HG1  THR  17           HG1      THR  17  -8.039   0.126   2.253
   98   HG21  THR  17          HG21      THR  17  -5.870  -1.486   3.976
   99   HG22  THR  17          HG22      THR  17  -4.939  -1.840   2.523
  100   HG23  THR  17          HG23      THR  17  -6.687  -2.094   2.533
  101    H    VAL  18           H        VAL  18  -5.109   3.103   3.997
  102    HA   VAL  18           HA       VAL  18  -5.345   4.575   1.501
  103    HB   VAL  18           HB       VAL  18  -7.203   4.968   3.054
  104   HG11  VAL  18          HG11      VAL  18  -5.139   5.877   5.042
  105   HG12  VAL  18          HG12      VAL  18  -6.152   4.437   5.153
  106   HG13  VAL  18          HG13      VAL  18  -6.884   6.037   5.227
  107   HG21  VAL  18          HG21      VAL  18  -5.370   7.361   2.894
  108   HG22  VAL  18          HG22      VAL  18  -7.095   7.424   3.253
  109   HG23  VAL  18          HG23      VAL  18  -6.546   6.860   1.678
  110    H    CYS  19           H        CYS  19  -3.782   5.857   0.897
  111    HA   CYS  19           HA       CYS  19  -1.369   5.976   2.518
  112    HB2  CYS  19           HB2      CYS  19  -1.842   6.819  -0.358
  113    HB3  CYS  19           HB3      CYS  19  -0.294   6.783   0.475
  114    H    ALA  20           H        ALA  20  -0.334   7.917   2.961
  115    HA   ALA  20           HA       ALA  20  -1.840  10.124   3.682
  116    HB1  ALA  20           HB1      ALA  20   0.324  11.312   3.852
  117    HB2  ALA  20           HB2      ALA  20   1.096  10.015   2.939
  118    HB3  ALA  20           HB3      ALA  20   0.434   9.692   4.535
  119    H    SER  21           H        SER  21  -2.564  11.891   2.595
  120    HA   SER  21           HA       SER  21  -2.901  11.734  -0.128
  121    HB2  SER  21           HB2      SER  21  -3.589  14.204   0.102
  122    HB3  SER  21           HB3      SER  21  -4.484  13.000   1.030
  123    HG   SER  21           HG       SER  21  -4.033  14.516   2.466
  124    H    GLY  22           H        GLY  22  -1.864  12.275  -1.862
  125    HA2  GLY  22           HA2      GLY  22  -0.323  13.709  -3.033
  126    HA3  GLY  22           HA3      GLY  22   0.644  13.771  -1.560
  127    H    THR  23           H        THR  23  -0.275  10.733  -1.425
  128    HA   THR  23           HA       THR  23   1.656   9.758  -3.387
  129    HB   THR  23           HB       THR  23   2.382   8.001  -1.791
  130    HG1  THR  23           HG1      THR  23   0.614   9.367  -0.029
  131   HG21  THR  23          HG21      THR  23   2.732  10.797  -0.705
  132   HG22  THR  23          HG22      THR  23   3.714  10.041  -1.956
  133   HG23  THR  23          HG23      THR  23   3.744   9.407  -0.308
  134    H    THR  24           H        THR  24   1.156   7.723  -4.308
  135    HA   THR  24           HA       THR  24  -1.632   6.972  -3.867
  136    HB   THR  24           HB       THR  24  -1.505   6.051  -6.249
  137    HG1  THR  24           HG1      THR  24   1.070   6.843  -6.031
  138   HG21  THR  24          HG21      THR  24  -2.696   8.117  -5.724
  139   HG22  THR  24          HG22      THR  24  -1.883   8.256  -7.284
  140   HG23  THR  24          HG23      THR  24  -1.195   9.032  -5.861
  141    H    CYS  25           H        CYS  25  -2.164   4.829  -3.593
  142    HA   CYS  25           HA       CYS  25  -0.054   3.116  -2.705
  143    HB2  CYS  25           HB2      CYS  25  -2.283   3.051  -1.637
  144    HB3  CYS  25           HB3      CYS  25  -2.992   2.519  -3.155
  145    H    GLN  26           H        GLN  26   1.281   2.400  -4.206
  146    HA   GLN  26           HA       GLN  26   0.269   1.593  -6.796
  147    HB2  GLN  26           HB2      GLN  26   3.067   1.811  -5.699
  148    HB3  GLN  26           HB3      GLN  26   2.659   1.307  -7.331
  149    HG2  GLN  26           HG2      GLN  26   1.951   3.988  -6.165
  150    HG3  GLN  26           HG3      GLN  26   3.387   3.666  -7.129
  151   HE21  GLN  26          HE21      GLN  26   2.782   5.069  -8.706
  152   HE22  GLN  26          HE22      GLN  26   1.528   4.737  -9.833
  153    H    VAL  27           H        VAL  27  -0.446  -0.303  -6.962
  154    HA   VAL  27           HA       VAL  27   0.355  -2.465  -5.247
  155    HB   VAL  27           HB       VAL  27  -1.217  -2.591  -7.845
  156   HG11  VAL  27          HG11      VAL  27  -2.119  -4.695  -6.951
  157   HG12  VAL  27          HG12      VAL  27  -1.073  -4.535  -5.539
  158   HG13  VAL  27          HG13      VAL  27  -0.363  -4.759  -7.137
  159   HG21  VAL  27          HG21      VAL  27  -2.265  -2.335  -5.028
  160   HG22  VAL  27          HG22      VAL  27  -3.240  -2.481  -6.500
  161   HG23  VAL  27          HG23      VAL  27  -2.223  -1.058  -6.241
  162    H    LEU  28           H        LEU  28   2.414  -3.034  -5.496
  163    HA   LEU  28           HA       LEU  28   3.605  -3.015  -8.132
  164    HB2  LEU  28           HB2      LEU  28   4.832  -3.712  -5.452
  165    HB3  LEU  28           HB3      LEU  28   5.704  -3.490  -6.956
  166    HG   LEU  28           HG       LEU  28   4.227  -1.351  -5.418
  167   HD11  LEU  28          HD11      LEU  28   6.287  -2.019  -4.346
  168   HD12  LEU  28          HD12      LEU  28   6.435  -0.406  -5.039
  169   HD13  LEU  28          HD13      LEU  28   7.168  -1.787  -5.855
  170   HD21  LEU  28          HD21      LEU  28   4.082  -0.912  -7.798
  171   HD22  LEU  28          HD22      LEU  28   5.818  -1.160  -7.976
  172   HD23  LEU  28          HD23      LEU  28   5.211   0.215  -7.049
  173    H    ASN  29           H        ASN  29   3.683  -5.302  -5.467
  174    HA   ASN  29           HA       ASN  29   3.477  -7.492  -7.394
  175    HB2  ASN  29           HB2      ASN  29   4.115  -7.557  -4.418
  176    HB3  ASN  29           HB3      ASN  29   4.079  -8.957  -5.480
  177   HD21  ASN  29          HD21      ASN  29   6.258  -7.968  -3.886
  178   HD22  ASN  29          HD22      ASN  29   7.546  -7.616  -4.978
  179    HA   PRO  30           HA       PRO  30  -0.784  -8.235  -6.311
  180    HB2  PRO  30           HB2      PRO  30  -0.154 -10.997  -5.399
  181    HB3  PRO  30           HB3      PRO  30  -1.300 -10.464  -6.630
  182    HG2  PRO  30           HG2      PRO  30   0.987 -11.624  -7.344
  183    HG3  PRO  30           HG3      PRO  30   0.350 -10.246  -8.261
  184    HD2  PRO  30           HD2      PRO  30   2.547 -10.328  -6.242
  185    HD3  PRO  30           HD3      PRO  30   2.470  -9.439  -7.779
  186    H    TYR  31           H        TYR  31   1.608  -9.312  -3.999
  187    HA   TYR  31           HA       TYR  31  -0.309  -8.969  -1.811
  188    HB2  TYR  31           HB2      TYR  31   2.440 -10.223  -1.861
  189    HB3  TYR  31           HB3      TYR  31   1.455 -10.055  -0.421
  190    HD1  TYR  31           HD1      TYR  31   1.677 -11.735  -3.715
  191    HD2  TYR  31           HD2      TYR  31  -0.298 -11.601   0.046
  192    HE1  TYR  31           HE1      TYR  31   0.631 -13.896  -4.198
  193    HE2  TYR  31           HE2      TYR  31  -1.358 -13.763  -0.432
  194    HH   TYR  31           HH       TYR  31  -0.342 -15.788  -2.893
  195    H    TYR  32           H        TYR  32   2.499  -7.479  -3.236
  196    HA   TYR  32           HA       TYR  32   2.716  -5.770  -0.884
  197    HB2  TYR  32           HB2      TYR  32   4.798  -6.960  -1.438
  198    HB3  TYR  32           HB3      TYR  32   4.829  -6.166  -3.008
  199    HD1  TYR  32           HD1      TYR  32   4.843  -5.483   0.640
  200    HD2  TYR  32           HD2      TYR  32   5.852  -4.056  -3.239
  201    HE1  TYR  32           HE1      TYR  32   6.034  -3.593   1.650
  202    HE2  TYR  32           HE2      TYR  32   7.048  -2.158  -2.229
  203    HH   TYR  32           HH       TYR  32   7.787  -2.052   1.076
  204    H    SER  33           H        SER  33   1.745  -3.926  -1.025
  205    HA   SER  33           HA       SER  33   1.868  -2.439  -3.548
  206    HB2  SER  33           HB2      SER  33  -0.306  -2.342  -1.424
  207    HB3  SER  33           HB3      SER  33  -0.296  -1.436  -2.943
  208    HG   SER  33           HG       SER  33  -1.531  -3.506  -2.803
  209    H    GLN  34           H        GLN  34   2.590  -0.298  -3.341
  210    HA   GLN  34           HA       GLN  34   3.521   0.490  -0.645
  211    HB2  GLN  34           HB2      GLN  34   5.314  -0.535  -2.017
  212    HB3  GLN  34           HB3      GLN  34   5.051   0.699  -3.241
  213    HG2  GLN  34           HG2      GLN  34   5.746   2.406  -1.635
  214    HG3  GLN  34           HG3      GLN  34   6.024   1.154  -0.429
  215   HE21  GLN  34          HE21      GLN  34   7.745  -0.317  -0.739
  216   HE22  GLN  34          HE22      GLN  34   9.039   0.060  -1.814
  217    H    CYS  35           H        CYS  35   3.050   2.592  -0.130
  218    HA   CYS  35           HA       CYS  35   1.605   4.252  -1.957
  219    HB2  CYS  35           HB2      CYS  35   2.807   4.987   0.711
  220    HB3  CYS  35           HB3      CYS  35   1.617   5.929  -0.181
  221    H    LEU  36           H        LEU  36   2.548   5.184  -3.608
  222    HA   LEU  36           HA       LEU  36   4.959   6.758  -3.179
  223    HB2  LEU  36           HB2      LEU  36   4.293   5.034  -5.566
  224    HB3  LEU  36           HB3      LEU  36   5.612   6.186  -5.509
  225    HG   LEU  36           HG       LEU  36   5.382   3.727  -3.770
  226   HD11  LEU  36          HD11      LEU  36   7.206   2.864  -5.132
  227   HD12  LEU  36          HD12      LEU  36   7.124   4.295  -6.161
  228   HD13  LEU  36          HD13      LEU  36   5.768   3.169  -6.103
  229   HD21  LEU  36          HD21      LEU  36   7.708   4.237  -3.167
  230   HD22  LEU  36          HD22      LEU  36   6.617   5.528  -2.675
  231   HD23  LEU  36          HD23      LEU  36   7.626   5.724  -4.112
  232    H1   MAN 101           H1       MAN 101   6.440   6.532   6.798
  233    H2   MAN 101           H2       MAN 101   5.417   3.707   7.173
  234    H3   MAN 101           H3       MAN 101   6.196   3.847   9.335
  235    H4   MAN 101           H4       MAN 101   7.860   6.252   8.424
  236    H5   MAN 101           H5       MAN 101   5.359   6.258  10.229
  237    H61  MAN 101           H61      MAN 101   6.808   8.275   8.468
  238    H62  MAN 101           H62      MAN 101   6.544   8.367  10.221
  239    HO2  MAN 101           HO2      MAN 101   6.798   4.235   5.385
  240    HO3  MAN 101           HO3      MAN 101   8.596   4.096   7.845
  241    HO4  MAN 101           HO4      MAN 101   8.706   5.151  10.186
  242    HO6  MAN 101           HO6      MAN 101   4.195   8.039   8.799
  Start of MODEL   17
    1    H1   THR   1           H1       THR   1  -3.589   7.045   8.944
    2    H2   THR   1           H2       THR   1  -1.866   6.945   8.995
    3    H3   THR   1           H3       THR   1  -2.788   5.564   8.949
    4    HA   THR   1           HA       THR   1  -3.511   5.895   6.798
    5    HB   THR   1           HB       THR   1  -3.581   8.475   7.011
    6    HG1  THR   1           HG1      THR   1  -3.760   8.452   4.916
    7   HG21  THR   1          HG21      THR   1  -1.247   8.742   7.816
    8   HG22  THR   1          HG22      THR   1  -1.589   9.722   6.389
    9   HG23  THR   1          HG23      THR   1  -0.669   8.223   6.232
   10    H    GLN   2           H        GLN   2  -1.999   5.466   4.905
   11    HA   GLN   2           HA       GLN   2   0.452   4.443   6.044
   12    HB2  GLN   2           HB2      GLN   2  -1.019   2.909   4.702
   13    HB3  GLN   2           HB3      GLN   2  -0.672   3.899   3.288
   14    HG2  GLN   2           HG2      GLN   2   0.733   1.896   3.358
   15    HG3  GLN   2           HG3      GLN   2   1.692   3.372   3.464
   16   HE21  GLN   2          HE21      GLN   2   0.596   0.571   5.119
   17   HE22  GLN   2          HE22      GLN   2   1.590   0.686   6.511
   18    H    SER   3           H        SER   3   2.375   5.055   5.407
   19    HA   SER   3           HA       SER   3   2.577   7.716   4.282
   20    HB2  SER   3           HB2      SER   3   4.838   7.509   5.276
   21    HB3  SER   3           HB3      SER   3   3.533   7.209   6.448
   22    H    HIS   4           H        HIS   4   4.646   8.024   3.003
   23    HA   HIS   4           HA       HIS   4   4.695   6.632   0.603
   24    HB2  HIS   4           HB2      HIS   4   5.597   8.908   0.951
   25    HB3  HIS   4           HB3      HIS   4   6.906   8.231   1.909
   26    HD1  HIS   4           HD1      HIS   4   8.959   7.531   0.662
   27    HD2  HIS   4           HD2      HIS   4   5.726   8.215  -1.847
   28    HE1  HIS   4           HE1      HIS   4   9.872   7.417  -1.666
   29    HE2  HIS   4           HE2      HIS   4   7.972   8.212  -3.086
   30    H    ALA   5           H        ALA   5   5.680   4.845  -0.073
   31    HA   ALA   5           HA       ALA   5   6.929   3.001  -0.250
   32    HB1  ALA   5           HB1      ALA   5   8.881   4.452   0.181
   33    HB2  ALA   5           HB2      ALA   5   9.117   2.817   0.811
   34    HB3  ALA   5           HB3      ALA   5   8.710   4.136   1.906
   35    H    GLY   6           H        GLY   6   4.911   3.506   2.103
   36    HA2  GLY   6           HA2      GLY   6   5.549   1.087   3.607
   37    HA3  GLY   6           HA3      GLY   6   4.276   2.250   3.992
   38    H    GLN   7           H        GLN   7   3.929  -0.583   3.845
   39    HA   GLN   7           HA       GLN   7   2.799  -1.323   1.327
   40    HB2  GLN   7           HB2      GLN   7   3.701  -3.004   2.884
   41    HB3  GLN   7           HB3      GLN   7   2.464  -2.586   4.057
   42    HG2  GLN   7           HG2      GLN   7   0.736  -3.409   2.547
   43    HG3  GLN   7           HG3      GLN   7   1.942  -3.839   1.340
   44   HE21  GLN   7          HE21      GLN   7   1.505  -6.138   1.435
   45   HE22  GLN   7          HE22      GLN   7   1.902  -7.016   2.853
   46    H    CYS   8           H        CYS   8   1.052  -0.420   0.576
   47    HA   CYS   8           HA       CYS   8  -0.886   0.733   2.409
   48    HB2  CYS   8           HB2      CYS   8  -1.868   1.707   0.407
   49    HB3  CYS   8           HB3      CYS   8  -0.183   2.164   0.667
   50    H    GLY   9           H        GLY   9  -0.745  -1.924   0.107
   51    HA2  GLY   9           HA2      GLY   9  -3.159  -3.007   1.086
   52    HA3  GLY   9           HA3      GLY   9  -3.513  -2.029  -0.325
   53    H    GLY  10           H        GLY  10  -1.764  -4.765   0.861
   54    HA2  GLY  10           HA2      GLY  10  -1.771  -5.821  -1.879
   55    HA3  GLY  10           HA3      GLY  10  -0.631  -6.312  -0.624
   56    H    ILE  11           H        ILE  11  -2.138  -8.217  -1.892
   57    HA   ILE  11           HA       ILE  11  -4.520  -8.881  -0.571
   58    HB   ILE  11           HB       ILE  11  -2.454 -10.725  -1.838
   59   HG12  ILE  11          HG12      ILE  11  -5.033  -9.604  -2.970
   60   HG13  ILE  11          HG13      ILE  11  -3.420  -9.023  -3.366
   61   HG21  ILE  11          HG21      ILE  11  -3.900 -11.975  -0.317
   62   HG22  ILE  11          HG22      ILE  11  -4.277 -12.383  -1.990
   63   HG23  ILE  11          HG23      ILE  11  -5.331 -11.292  -1.090
   64   HD11  ILE  11          HD11      ILE  11  -4.513 -11.769  -3.946
   65   HD12  ILE  11          HD12      ILE  11  -2.889 -11.204  -4.344
   66   HD13  ILE  11          HD13      ILE  11  -4.296 -10.463  -5.113
   67    H    GLY  12           H        GLY  12  -4.796  -9.275   1.505
   68    HA2  GLY  12           HA2      GLY  12  -4.399 -10.740   3.383
   69    HA3  GLY  12           HA3      GLY  12  -2.699 -10.764   2.933
   70    H    TYR  13           H        TYR  13  -3.348  -7.696   2.440
   71    HA   TYR  13           HA       TYR  13  -2.560  -6.975   5.148
   72    HB2  TYR  13           HB2      TYR  13  -1.125  -6.113   3.371
   73    HB3  TYR  13           HB3      TYR  13  -2.506  -5.388   2.568
   74    HD1  TYR  13           HD1      TYR  13  -3.091  -3.193   3.033
   75    HD2  TYR  13           HD2      TYR  13  -0.520  -5.221   5.732
   76    HE1  TYR  13           HE1      TYR  13  -2.695  -1.093   4.206
   77    HE2  TYR  13           HE2      TYR  13  -0.109  -3.097   6.928
   78    HH   TYR  13           HH       TYR  13  -1.929  -0.205   6.075
   79    H    SER  14           H        SER  14  -4.149  -6.616   6.451
   80    HA   SER  14           HA       SER  14  -6.677  -5.531   5.520
   81    HB2  SER  14           HB2      SER  14  -7.276  -6.439   7.876
   82    HB3  SER  14           HB3      SER  14  -6.966  -7.584   6.570
   83    HG   SER  14           HG       SER  14  -5.604  -8.362   7.955
   84    H    GLY  15           H        GLY  15  -3.955  -4.263   6.577
   85    HA2  GLY  15           HA2      GLY  15  -4.855  -2.699   8.833
   86    HA3  GLY  15           HA3      GLY  15  -3.305  -2.559   8.013
   87    HA   PRO  16           HA       PRO  16  -5.811   1.252   6.940
   88    HB2  PRO  16           HB2      PRO  16  -3.595   2.885   7.024
   89    HB3  PRO  16           HB3      PRO  16  -4.650   2.582   8.410
   90    HG2  PRO  16           HG2      PRO  16  -2.042   1.292   7.707
   91    HG3  PRO  16           HG3      PRO  16  -2.608   1.872   9.283
   92    HD2  PRO  16           HD2      PRO  16  -2.658  -0.708   8.665
   93    HD3  PRO  16           HD3      PRO  16  -3.976   0.024   9.605
   94    H    THR  17           H        THR  17  -6.182   1.317   4.816
   95    HA   THR  17           HA       THR  17  -4.050   0.592   2.974
   96    HB   THR  17           HB       THR  17  -6.073   0.380   1.422
   97    HG1  THR  17           HG1      THR  17  -7.747   1.246   2.412
   98   HG21  THR  17          HG21      THR  17  -5.811  -1.426   3.844
   99   HG22  THR  17          HG22      THR  17  -4.897  -1.565   2.342
  100   HG23  THR  17          HG23      THR  17  -6.637  -1.851   2.345
  101    H    VAL  18           H        VAL  18  -5.747   3.340   4.017
  102    HA   VAL  18           HA       VAL  18  -5.551   4.701   1.490
  103    HB   VAL  18           HB       VAL  18  -7.369   5.253   3.103
  104   HG11  VAL  18          HG11      VAL  18  -6.163   5.116   5.207
  105   HG12  VAL  18          HG12      VAL  18  -6.950   6.682   5.040
  106   HG13  VAL  18          HG13      VAL  18  -5.214   6.537   4.769
  107   HG21  VAL  18          HG21      VAL  18  -5.580   7.569   2.389
  108   HG22  VAL  18          HG22      VAL  18  -7.288   7.693   2.824
  109   HG23  VAL  18          HG23      VAL  18  -6.809   6.837   1.360
  110    H    CYS  19           H        CYS  19  -4.036   6.127   0.840
  111    HA   CYS  19           HA       CYS  19  -1.572   6.166   2.397
  112    HB2  CYS  19           HB2      CYS  19  -2.119   6.895  -0.487
  113    HB3  CYS  19           HB3      CYS  19  -0.545   6.989   0.290
  114    H    ALA  20           H        ALA  20  -0.478   8.095   2.745
  115    HA   ALA  20           HA       ALA  20  -1.998  10.296   3.519
  116    HB1  ALA  20           HB1      ALA  20   0.188   9.760   4.474
  117    HB2  ALA  20           HB2      ALA  20   0.135  11.421   3.879
  118    HB3  ALA  20           HB3      ALA  20   0.959  10.173   2.942
  119    H    SER  21           H        SER  21  -1.937  12.477   2.709
  120    HA   SER  21           HA       SER  21  -2.676  12.743   0.058
  121    HB2  SER  21           HB2      SER  21  -2.325  15.227   0.678
  122    HB3  SER  21           HB3      SER  21  -3.521  14.295   1.591
  123    HG   SER  21           HG       SER  21  -0.824  14.576   2.381
  124    H    GLY  22           H        GLY  22  -1.449  12.719  -1.731
  125    HA2  GLY  22           HA2      GLY  22   0.283  13.834  -2.995
  126    HA3  GLY  22           HA3      GLY  22   1.286  13.784  -1.553
  127    H    THR  23           H        THR  23  -0.054  10.946  -1.275
  128    HA   THR  23           HA       THR  23   1.786   9.632  -3.147
  129    HB   THR  23           HB       THR  23   2.041   7.798  -1.504
  130    HG1  THR  23           HG1      THR  23   0.300   9.420   0.039
  131   HG21  THR  23          HG21      THR  23   3.412   8.980   0.179
  132   HG22  THR  23          HG22      THR  23   2.739  10.514  -0.377
  133   HG23  THR  23          HG23      THR  23   3.725   9.530  -1.464
  134    H    THR  24           H        THR  24   1.065   7.651  -4.052
  135    HA   THR  24           HA       THR  24  -1.787   7.099  -3.680
  136    HB   THR  24           HB       THR  24  -1.665   6.193  -6.074
  137    HG1  THR  24           HG1      THR  24   0.901   7.129  -5.811
  138   HG21  THR  24          HG21      THR  24  -1.351   9.158  -5.622
  139   HG22  THR  24          HG22      THR  24  -2.857   8.242  -5.516
  140   HG23  THR  24          HG23      THR  24  -2.030   8.408  -7.065
  141    H    CYS  25           H        CYS  25  -2.400   4.906  -3.739
  142    HA   CYS  25           HA       CYS  25  -0.378   3.133  -2.737
  143    HB2  CYS  25           HB2      CYS  25  -2.677   3.090  -1.824
  144    HB3  CYS  25           HB3      CYS  25  -3.287   2.593  -3.399
  145    H    GLN  26           H        GLN  26   1.049   2.399  -4.174
  146    HA   GLN  26           HA       GLN  26   0.143   1.648  -6.842
  147    HB2  GLN  26           HB2      GLN  26   2.934   1.935  -5.734
  148    HB3  GLN  26           HB3      GLN  26   2.519   1.625  -7.410
  149    HG2  GLN  26           HG2      GLN  26   1.807   4.122  -5.875
  150    HG3  GLN  26           HG3      GLN  26   3.158   3.936  -6.991
  151   HE21  GLN  26          HE21      GLN  26   2.418   5.563  -8.264
  152   HE22  GLN  26          HE22      GLN  26   1.065   5.400  -9.313
  153    H    VAL  27           H        VAL  27  -0.287  -0.367  -7.202
  154    HA   VAL  27           HA       VAL  27   0.572  -2.382  -5.314
  155    HB   VAL  27           HB       VAL  27  -1.194  -2.689  -7.759
  156   HG11  VAL  27          HG11      VAL  27  -1.939  -4.759  -6.680
  157   HG12  VAL  27          HG12      VAL  27  -0.802  -4.479  -5.362
  158   HG13  VAL  27          HG13      VAL  27  -0.203  -4.783  -6.992
  159   HG21  VAL  27          HG21      VAL  27  -1.973  -2.253  -4.873
  160   HG22  VAL  27          HG22      VAL  27  -3.090  -2.621  -6.187
  161   HG23  VAL  27          HG23      VAL  27  -2.183  -1.106  -6.194
  162    H    LEU  28           H        LEU  28   2.517  -3.075  -5.607
  163    HA   LEU  28           HA       LEU  28   3.718  -3.207  -8.263
  164    HB2  LEU  28           HB2      LEU  28   4.925  -3.885  -5.573
  165    HB3  LEU  28           HB3      LEU  28   5.795  -3.689  -7.074
  166    HG   LEU  28           HG       LEU  28   4.380  -1.512  -5.541
  167   HD11  LEU  28          HD11      LEU  28   6.621  -0.670  -5.130
  168   HD12  LEU  28          HD12      LEU  28   7.300  -2.083  -5.941
  169   HD13  LEU  28          HD13      LEU  28   6.387  -2.275  -4.445
  170   HD21  LEU  28          HD21      LEU  28   6.033  -1.358  -8.067
  171   HD22  LEU  28          HD22      LEU  28   5.440   0.024  -7.148
  172   HD23  LEU  28          HD23      LEU  28   4.299  -1.059  -7.940
  173    H    ASN  29           H        ASN  29   3.741  -5.329  -5.467
  174    HA   ASN  29           HA       ASN  29   3.562  -7.670  -7.211
  175    HB2  ASN  29           HB2      ASN  29   4.248  -7.379  -4.266
  176    HB3  ASN  29           HB3      ASN  29   4.083  -8.928  -5.080
  177   HD21  ASN  29          HD21      ASN  29   6.066  -6.129  -4.619
  178   HD22  ASN  29          HD22      ASN  29   7.457  -6.748  -5.411
  179    HA   PRO  30           HA       PRO  30  -0.668  -8.313  -5.947
  180    HB2  PRO  30           HB2      PRO  30  -0.109 -10.998  -4.830
  181    HB3  PRO  30           HB3      PRO  30  -1.212 -10.535  -6.131
  182    HG2  PRO  30           HG2      PRO  30   1.049 -11.816  -6.676
  183    HG3  PRO  30           HG3      PRO  30   0.464 -10.511  -7.723
  184    HD2  PRO  30           HD2      PRO  30   2.610 -10.434  -5.633
  185    HD3  PRO  30           HD3      PRO  30   2.612  -9.728  -7.266
  186    H    TYR  31           H        TYR  31   1.780  -9.207  -3.562
  187    HA   TYR  31           HA       TYR  31  -0.193  -8.669  -1.447
  188    HB2  TYR  31           HB2      TYR  31   2.517  -9.978  -1.088
  189    HB3  TYR  31           HB3      TYR  31   1.194  -9.921   0.057
  190    HD1  TYR  31           HD1      TYR  31  -0.650 -11.481  -0.095
  191    HD2  TYR  31           HD2      TYR  31   2.396 -11.458  -3.050
  192    HE1  TYR  31           HE1      TYR  31  -1.474 -13.630  -0.958
  193    HE2  TYR  31           HE2      TYR  31   1.592 -13.596  -3.917
  194    HH   TYR  31           HH       TYR  31  -1.411 -14.922  -2.987
  195    H    TYR  32           H        TYR  32   2.821  -7.563  -2.835
  196    HA   TYR  32           HA       TYR  32   2.938  -5.592  -0.700
  197    HB2  TYR  32           HB2      TYR  32   5.056  -6.849  -1.062
  198    HB3  TYR  32           HB3      TYR  32   5.165  -6.155  -2.678
  199    HD1  TYR  32           HD1      TYR  32   5.112  -5.323   0.925
  200    HD2  TYR  32           HD2      TYR  32   5.974  -3.929  -3.007
  201    HE1  TYR  32           HE1      TYR  32   6.140  -3.306   1.872
  202    HE2  TYR  32           HE2      TYR  32   7.012  -1.914  -2.061
  203    HH   TYR  32           HH       TYR  32   7.713  -1.582   1.266
  204    H    SER  33           H        SER  33   2.065  -3.764  -1.023
  205    HA   SER  33           HA       SER  33   2.327  -2.422  -3.614
  206    HB2  SER  33           HB2      SER  33  -0.054  -2.296  -1.736
  207    HB3  SER  33           HB3      SER  33   0.063  -1.591  -3.349
  208    HG   SER  33           HG       SER  33  -1.076  -3.701  -3.017
  209    H    GLN  34           H        GLN  34   2.856  -0.164  -3.271
  210    HA   GLN  34           HA       GLN  34   2.993   0.633  -0.472
  211    HB2  GLN  34           HB2      GLN  34   5.239   1.613  -0.729
  212    HB3  GLN  34           HB3      GLN  34   5.244  -0.131  -0.922
  213    HG2  GLN  34           HG2      GLN  34   5.464   0.087  -3.306
  214    HG3  GLN  34           HG3      GLN  34   5.264   1.833  -3.199
  215   HE21  GLN  34          HE21      GLN  34   7.209   0.037  -0.863
  216   HE22  GLN  34          HE22      GLN  34   8.712   0.632  -1.412
  217    H    CYS  35           H        CYS  35   2.959   2.826  -0.051
  218    HA   CYS  35           HA       CYS  35   1.525   4.350  -1.996
  219    HB2  CYS  35           HB2      CYS  35   2.674   5.247   0.654
  220    HB3  CYS  35           HB3      CYS  35   1.484   6.119  -0.307
  221    H    LEU  36           H        LEU  36   2.378   5.421  -3.573
  222    HA   LEU  36           HA       LEU  36   4.970   6.717  -3.229
  223    HB2  LEU  36           HB2      LEU  36   3.950   5.298  -5.692
  224    HB3  LEU  36           HB3      LEU  36   5.392   6.286  -5.639
  225    HG   LEU  36           HG       LEU  36   4.997   3.723  -4.095
  226   HD11  LEU  36          HD11      LEU  36   5.180   3.287  -6.473
  227   HD12  LEU  36          HD12      LEU  36   6.657   2.794  -5.646
  228   HD13  LEU  36          HD13      LEU  36   6.623   4.294  -6.570
  229   HD21  LEU  36          HD21      LEU  36   6.494   5.261  -2.941
  230   HD22  LEU  36          HD22      LEU  36   7.422   5.497  -4.417
  231   HD23  LEU  36          HD23      LEU  36   7.409   3.921  -3.631
  232    H1   MAN 101           H1       MAN 101   6.050   6.141   7.055
  233    H2   MAN 101           H2       MAN 101   5.235   3.327   6.424
  234    H3   MAN 101           H3       MAN 101   5.227   2.926   8.688
  235    H4   MAN 101           H4       MAN 101   7.207   5.236   8.972
  236    H5   MAN 101           H5       MAN 101   4.430   5.108  10.179
  237    H61  MAN 101           H61      MAN 101   5.922   6.985  10.670
  238    H62  MAN 101           H62      MAN 101   4.517   7.536   9.722
  239    HO2  MAN 101           HO2      MAN 101   6.961   4.455   5.378
  240    HO3  MAN 101           HO3      MAN 101   7.330   2.256   9.329
  241    HO4  MAN 101           HO4      MAN 101   7.536   3.639  10.538
  242    HO6  MAN 101           HO6      MAN 101   7.217   7.459   9.082
  Start of MODEL   18
    1    H1   THR   1           H1       THR   1  -3.014   6.741   9.580
    2    H2   THR   1           H2       THR   1  -1.337   7.006   9.498
    3    H3   THR   1           H3       THR   1  -1.929   5.438   9.522
    4    HA   THR   1           HA       THR   1  -3.024   5.837   7.395
    5    HB   THR   1           HB       THR   1  -1.481   8.445   7.465
    6    HG1  THR   1           HG1      THR   1  -4.139   8.793   7.400
    7   HG21  THR   1          HG21      THR   1  -3.649   7.435   5.611
    8   HG22  THR   1          HG22      THR   1  -1.933   7.526   5.228
    9   HG23  THR   1          HG23      THR   1  -2.852   9.004   5.509
   10    H    GLN   2           H        GLN   2  -1.835   4.988   5.637
   11    HA   GLN   2           HA       GLN   2   0.902   4.324   6.203
   12    HB2  GLN   2           HB2      GLN   2  -0.773   2.749   5.122
   13    HB3  GLN   2           HB3      GLN   2  -0.731   3.779   3.702
   14    HG2  GLN   2           HG2      GLN   2   0.688   1.867   3.366
   15    HG3  GLN   2           HG3      GLN   2   1.687   3.308   3.467
   16   HE21  GLN   2          HE21      GLN   2   0.773   0.356   4.998
   17   HE22  GLN   2          HE22      GLN   2   2.045   0.338   6.163
   18    H    SER   3           H        SER   3   2.640   5.342   5.294
   19    HA   SER   3           HA       SER   3   1.990   7.638   3.610
   20    HB2  SER   3           HB2      SER   3   2.835   8.137   5.884
   21    HB3  SER   3           HB3      SER   3   4.323   7.284   5.512
   22    H    HIS   4           H        HIS   4   4.545   8.246   2.760
   23    HA   HIS   4           HA       HIS   4   4.825   6.682   0.467
   24    HB2  HIS   4           HB2      HIS   4   5.656   9.019   0.717
   25    HB3  HIS   4           HB3      HIS   4   6.904   8.436   1.797
   26    HD1  HIS   4           HD1      HIS   4   9.081   8.294   0.650
   27    HD2  HIS   4           HD2      HIS   4   5.937   7.541  -1.952
   28    HE1  HIS   4           HE1      HIS   4  10.145   7.844  -1.574
   29    HE2  HIS   4           HE2      HIS   4   8.207   7.681  -3.172
   30    H    ALA   5           H        ALA   5   5.706   4.823   0.106
   31    HA   ALA   5           HA       ALA   5   6.830   2.924   0.250
   32    HB1  ALA   5           HB1      ALA   5   8.697   4.314   2.183
   33    HB2  ALA   5           HB2      ALA   5   8.896   4.256   0.430
   34    HB3  ALA   5           HB3      ALA   5   8.994   2.773   1.385
   35    H    GLY   6           H        GLY   6   4.904   2.130   1.129
   36    HA2  GLY   6           HA2      GLY   6   5.309   0.597   3.467
   37    HA3  GLY   6           HA3      GLY   6   4.144   1.899   3.712
   38    H    GLN   7           H        GLN   7   3.519  -0.905   3.702
   39    HA   GLN   7           HA       GLN   7   2.378  -1.479   1.136
   40    HB2  GLN   7           HB2      GLN   7   3.263  -3.300   2.537
   41    HB3  GLN   7           HB3      GLN   7   2.043  -2.953   3.754
   42    HG2  GLN   7           HG2      GLN   7   0.291  -3.646   2.295
   43    HG3  GLN   7           HG3      GLN   7   1.382  -3.816   0.932
   44   HE21  GLN   7          HE21      GLN   7  -0.339  -5.889   2.066
   45   HE22  GLN   7          HE22      GLN   7   0.705  -7.129   2.627
   46    H    CYS   8           H        CYS   8   0.742  -0.424   0.502
   47    HA   CYS   8           HA       CYS   8  -1.180   0.740   2.336
   48    HB2  CYS   8           HB2      CYS   8  -2.119   1.649   0.224
   49    HB3  CYS   8           HB3      CYS   8  -0.479   2.161   0.627
   50    H    GLY   9           H        GLY   9  -1.195  -1.700  -0.213
   51    HA2  GLY   9           HA2      GLY   9  -3.678  -2.712   0.809
   52    HA3  GLY   9           HA3      GLY   9  -3.849  -1.862  -0.723
   53    H    GLY  10           H        GLY  10  -1.485  -4.037   0.631
   54    HA2  GLY  10           HA2      GLY  10  -1.611  -5.575  -1.855
   55    HA3  GLY  10           HA3      GLY  10  -0.369  -5.733  -0.609
   56    H    ILE  11           H        ILE  11  -2.083  -7.816  -1.765
   57    HA   ILE  11           HA       ILE  11  -4.197  -8.500  -0.075
   58    HB   ILE  11           HB       ILE  11  -2.382 -10.402  -1.602
   59   HG12  ILE  11          HG12      ILE  11  -4.965  -9.085  -2.485
   60   HG13  ILE  11          HG13      ILE  11  -3.360  -8.615  -3.024
   61   HG21  ILE  11          HG21      ILE  11  -3.790 -11.539   0.053
   62   HG22  ILE  11          HG22      ILE  11  -4.320 -11.918  -1.587
   63   HG23  ILE  11          HG23      ILE  11  -5.222 -10.756  -0.615
   64   HD11  ILE  11          HD11      ILE  11  -4.509  -9.988  -4.683
   65   HD12  ILE  11          HD12      ILE  11  -4.656 -11.295  -3.507
   66   HD13  ILE  11          HD13      ILE  11  -3.063 -10.789  -4.074
   67    H    GLY  12           H        GLY  12  -4.232  -9.076   1.986
   68    HA2  GLY  12           HA2      GLY  12  -3.512 -10.583   3.732
   69    HA3  GLY  12           HA3      GLY  12  -1.866 -10.397   3.138
   70    H    TYR  13           H        TYR  13  -3.307  -7.454   2.986
   71    HA   TYR  13           HA       TYR  13  -2.179  -6.638   5.563
   72    HB2  TYR  13           HB2      TYR  13  -1.217  -5.531   3.631
   73    HB3  TYR  13           HB3      TYR  13  -2.803  -5.094   3.036
   74    HD1  TYR  13           HD1      TYR  13  -0.637  -4.555   6.064
   75    HD2  TYR  13           HD2      TYR  13  -3.486  -2.938   3.355
   76    HE1  TYR  13           HE1      TYR  13  -0.401  -2.339   7.131
   77    HE2  TYR  13           HE2      TYR  13  -3.267  -0.750   4.413
   78    HH   TYR  13           HH       TYR  13  -2.551   0.284   6.294
   79    H    SER  14           H        SER  14  -3.571  -6.241   7.158
   80    HA   SER  14           HA       SER  14  -6.389  -5.931   6.533
   81    HB2  SER  14           HB2      SER  14  -6.583  -6.466   9.010
   82    HB3  SER  14           HB3      SER  14  -5.957  -7.751   7.972
   83    HG   SER  14           HG       SER  14  -4.801  -6.468  10.039
   84    H    GLY  15           H        GLY  15  -3.907  -3.908   7.011
   85    HA2  GLY  15           HA2      GLY  15  -5.155  -2.122   8.926
   86    HA3  GLY  15           HA3      GLY  15  -3.619  -1.863   8.110
   87    HA   PRO  16           HA       PRO  16  -6.986   0.861   6.262
   88    HB2  PRO  16           HB2      PRO  16  -5.573   3.198   6.480
   89    HB3  PRO  16           HB3      PRO  16  -6.656   2.607   7.744
   90    HG2  PRO  16           HG2      PRO  16  -3.683   2.374   7.531
   91    HG3  PRO  16           HG3      PRO  16  -4.670   2.775   8.950
   92    HD2  PRO  16           HD2      PRO  16  -3.653   0.316   8.585
   93    HD3  PRO  16           HD3      PRO  16  -5.245   0.566   9.331
   94    H    THR  17           H        THR  17  -6.997   1.025   4.114
   95    HA   THR  17           HA       THR  17  -4.547   0.658   2.599
   96    HB   THR  17           HB       THR  17  -6.144   0.458   0.671
   97    HG1  THR  17           HG1      THR  17  -7.994   1.370   1.089
   98   HG21  THR  17          HG21      THR  17  -6.719  -1.328   3.046
   99   HG22  THR  17          HG22      THR  17  -5.388  -1.526   1.908
  100   HG23  THR  17          HG23      THR  17  -7.057  -1.721   1.358
  101    H    VAL  18           H        VAL  18  -5.628   3.241   3.921
  102    HA   VAL  18           HA       VAL  18  -5.635   4.936   1.574
  103    HB   VAL  18           HB       VAL  18  -7.452   5.354   3.147
  104   HG11  VAL  18          HG11      VAL  18  -5.348   5.980   5.205
  105   HG12  VAL  18          HG12      VAL  18  -6.472   4.618   5.215
  106   HG13  VAL  18          HG13      VAL  18  -7.082   6.257   5.393
  107   HG21  VAL  18          HG21      VAL  18  -5.454   7.620   3.144
  108   HG22  VAL  18          HG22      VAL  18  -7.177   7.772   3.494
  109   HG23  VAL  18          HG23      VAL  18  -6.647   7.267   1.889
  110    H    CYS  19           H        CYS  19  -3.936   5.938   0.926
  111    HA   CYS  19           HA       CYS  19  -1.553   6.026   2.558
  112    HB2  CYS  19           HB2      CYS  19  -2.013   6.920  -0.306
  113    HB3  CYS  19           HB3      CYS  19  -0.462   6.884   0.516
  114    H    ALA  20           H        ALA  20  -0.402   7.991   2.771
  115    HA   ALA  20           HA       ALA  20  -2.008  10.204   3.564
  116    HB1  ALA  20           HB1      ALA  20   0.976   9.978   3.174
  117    HB2  ALA  20           HB2      ALA  20   0.101   9.684   4.680
  118    HB3  ALA  20           HB3      ALA  20   0.156  11.307   3.993
  119    H    SER  21           H        SER  21  -2.261  12.201   2.540
  120    HA   SER  21           HA       SER  21  -2.365  12.351  -0.192
  121    HB2  SER  21           HB2      SER  21  -2.013  14.555   1.837
  122    HB3  SER  21           HB3      SER  21  -2.510  14.811   0.164
  123    HG   SER  21           HG       SER  21  -4.379  14.145   0.588
  124    H    GLY  22           H        GLY  22  -0.969  12.807  -1.763
  125    HA2  GLY  22           HA2      GLY  22   1.111  13.780  -2.551
  126    HA3  GLY  22           HA3      GLY  22   1.805  13.373  -0.991
  127    H    THR  23           H        THR  23   0.128  10.773  -1.221
  128    HA   THR  23           HA       THR  23   1.829   9.410  -3.147
  129    HB   THR  23           HB       THR  23   2.071   7.509  -1.556
  130    HG1  THR  23           HG1      THR  23   0.603   9.212   0.050
  131   HG21  THR  23          HG21      THR  23   3.866   8.521  -0.215
  132   HG22  THR  23          HG22      THR  23   3.297  10.125  -0.695
  133   HG23  THR  23          HG23      THR  23   3.926   9.004  -1.906
  134    H    THR  24           H        THR  24   0.930   7.628  -4.128
  135    HA   THR  24           HA       THR  24  -1.888   7.106  -3.515
  136    HB   THR  24           HB       THR  24  -2.024   6.378  -5.956
  137    HG1  THR  24           HG1      THR  24   0.620   6.979  -5.860
  138   HG21  THR  24          HG21      THR  24  -2.972   8.499  -5.209
  139   HG22  THR  24          HG22      THR  24  -2.266   8.676  -6.816
  140   HG23  THR  24          HG23      THR  24  -1.405   9.286  -5.400
  141    H    CYS  25           H        CYS  25  -2.556   4.839  -3.754
  142    HA   CYS  25           HA       CYS  25  -0.444   3.103  -2.887
  143    HB2  CYS  25           HB2      CYS  25  -2.724   2.934  -1.919
  144    HB3  CYS  25           HB3      CYS  25  -3.352   2.479  -3.494
  145    H    GLN  26           H        GLN  26   0.933   2.259  -4.319
  146    HA   GLN  26           HA       GLN  26  -0.150   1.570  -6.936
  147    HB2  GLN  26           HB2      GLN  26   2.704   2.253  -6.205
  148    HB3  GLN  26           HB3      GLN  26   2.153   1.792  -7.808
  149    HG2  GLN  26           HG2      GLN  26   0.631   3.788  -7.759
  150    HG3  GLN  26           HG3      GLN  26   1.429   4.276  -6.268
  151   HE21  GLN  26          HE21      GLN  26   2.269   6.165  -7.115
  152   HE22  GLN  26          HE22      GLN  26   3.512   6.180  -8.302
  153    H    VAL  27           H        VAL  27  -0.125  -0.427  -7.553
  154    HA   VAL  27           HA       VAL  27   0.668  -2.452  -5.673
  155    HB   VAL  27           HB       VAL  27  -0.597  -2.713  -8.422
  156   HG11  VAL  27          HG11      VAL  27  -1.244  -4.969  -7.706
  157   HG12  VAL  27          HG12      VAL  27  -0.364  -4.736  -6.198
  158   HG13  VAL  27          HG13      VAL  27   0.510  -4.773  -7.728
  159   HG21  VAL  27          HG21      VAL  27  -2.704  -3.049  -7.217
  160   HG22  VAL  27          HG22      VAL  27  -2.023  -1.456  -6.892
  161   HG23  VAL  27          HG23      VAL  27  -1.882  -2.739  -5.690
  162    H    LEU  28           H        LEU  28   2.726  -3.022  -5.622
  163    HA   LEU  28           HA       LEU  28   4.342  -2.993  -8.042
  164    HB2  LEU  28           HB2      LEU  28   5.110  -3.739  -5.198
  165    HB3  LEU  28           HB3      LEU  28   6.214  -3.501  -6.529
  166    HG   LEU  28           HG       LEU  28   4.549  -1.372  -5.192
  167   HD11  LEU  28          HD11      LEU  28   6.406  -2.124  -3.838
  168   HD12  LEU  28          HD12      LEU  28   6.694  -0.495  -4.450
  169   HD13  LEU  28          HD13      LEU  28   7.511  -1.869  -5.189
  170   HD21  LEU  28          HD21      LEU  28   6.535  -1.146  -7.455
  171   HD22  LEU  28          HD22      LEU  28   5.788   0.209  -6.608
  172   HD23  LEU  28          HD23      LEU  28   4.794  -0.888  -7.564
  173    H    ASN  29           H        ASN  29   4.117  -5.278  -5.371
  174    HA   ASN  29           HA       ASN  29   3.851  -7.464  -7.282
  175    HB2  ASN  29           HB2      ASN  29   4.332  -7.499  -4.272
  176    HB3  ASN  29           HB3      ASN  29   4.079  -8.923  -5.274
  177   HD21  ASN  29          HD21      ASN  29   6.327  -6.492  -4.272
  178   HD22  ASN  29          HD22      ASN  29   7.686  -7.164  -5.062
  179    HA   PRO  30           HA       PRO  30  -0.505  -7.789  -6.353
  180    HB2  PRO  30           HB2      PRO  30  -0.150 -10.644  -5.605
  181    HB3  PRO  30           HB3      PRO  30  -1.207  -9.937  -6.831
  182    HG2  PRO  30           HG2      PRO  30   0.965 -11.247  -7.566
  183    HG3  PRO  30           HG3      PRO  30   0.514  -9.737  -8.384
  184    HD2  PRO  30           HD2      PRO  30   2.574 -10.187  -6.259
  185    HD3  PRO  30           HD3      PRO  30   2.713  -9.233  -7.751
  186    H    TYR  31           H        TYR  31   1.704  -9.336  -4.038
  187    HA   TYR  31           HA       TYR  31  -0.269  -8.884  -1.935
  188    HB2  TYR  31           HB2      TYR  31   2.398 -10.312  -1.770
  189    HB3  TYR  31           HB3      TYR  31   1.177 -10.244  -0.508
  190    HD1  TYR  31           HD1      TYR  31  -0.903 -11.512  -0.718
  191    HD2  TYR  31           HD2      TYR  31   2.112 -11.774  -3.698
  192    HE1  TYR  31           HE1      TYR  31  -2.003 -13.500  -1.659
  193    HE2  TYR  31           HE2      TYR  31   1.035 -13.753  -4.636
  194    HH   TYR  31           HH       TYR  31  -2.098 -14.616  -3.891
  195    H    TYR  32           H        TYR  32   2.803  -7.646  -3.088
  196    HA   TYR  32           HA       TYR  32   2.758  -5.831  -0.786
  197    HB2  TYR  32           HB2      TYR  32   4.902  -7.068  -1.175
  198    HB3  TYR  32           HB3      TYR  32   5.081  -6.205  -2.699
  199    HD1  TYR  32           HD1      TYR  32   6.201  -4.124  -2.716
  200    HD2  TYR  32           HD2      TYR  32   4.641  -5.624   0.948
  201    HE1  TYR  32           HE1      TYR  32   7.278  -2.264  -1.496
  202    HE2  TYR  32           HE2      TYR  32   5.706  -3.787   2.168
  203    HH   TYR  32           HH       TYR  32   7.402  -2.221   1.974
  204    H    SER  33           H        SER  33   1.744  -4.014  -1.144
  205    HA   SER  33           HA       SER  33   2.148  -2.677  -3.724
  206    HB2  SER  33           HB2      SER  33  -0.355  -2.612  -1.997
  207    HB3  SER  33           HB3      SER  33  -0.152  -1.839  -3.570
  208    HG   SER  33           HG       SER  33   0.484  -4.363  -3.929
  209    H    GLN  34           H        GLN  34   2.496  -0.387  -3.506
  210    HA   GLN  34           HA       GLN  34   3.173   0.361  -0.745
  211    HB2  GLN  34           HB2      GLN  34   5.134  -0.555  -1.835
  212    HB3  GLN  34           HB3      GLN  34   4.926   0.548  -3.183
  213    HG2  GLN  34           HG2      GLN  34   5.342   2.433  -1.674
  214    HG3  GLN  34           HG3      GLN  34   5.586   1.286  -0.354
  215   HE21  GLN  34          HE21      GLN  34   6.840   2.477  -3.325
  216   HE22  GLN  34          HE22      GLN  34   8.450   1.891  -3.142
  217    H    CYS  35           H        CYS  35   2.808   2.475  -0.233
  218    HA   CYS  35           HA       CYS  35   1.418   4.190  -2.035
  219    HB2  CYS  35           HB2      CYS  35   2.727   4.884   0.609
  220    HB3  CYS  35           HB3      CYS  35   1.588   5.895  -0.264
  221    H    LEU  36           H        LEU  36   2.219   5.258  -3.603
  222    HA   LEU  36           HA       LEU  36   4.782   6.603  -3.415
  223    HB2  LEU  36           HB2      LEU  36   3.819   4.832  -5.658
  224    HB3  LEU  36           HB3      LEU  36   5.129   5.972  -5.831
  225    HG   LEU  36           HG       LEU  36   5.158   3.633  -3.922
  226   HD11  LEU  36          HD11      LEU  36   5.096   2.889  -6.245
  227   HD12  LEU  36          HD12      LEU  36   6.696   2.613  -5.547
  228   HD13  LEU  36          HD13      LEU  36   6.426   3.975  -6.636
  229   HD21  LEU  36          HD21      LEU  36   7.568   4.147  -3.799
  230   HD22  LEU  36          HD22      LEU  36   6.584   5.494  -3.244
  231   HD23  LEU  36          HD23      LEU  36   7.303   5.530  -4.857
  232    H1   MAN 101           H1       MAN 101   5.366   9.383   6.124
  233    H2   MAN 101           H2       MAN 101   2.871   9.896   6.691
  234    H3   MAN 101           H3       MAN 101   2.313  11.097   4.672
  235    H4   MAN 101           H4       MAN 101   4.304  13.197   5.659
  236    H5   MAN 101           H5       MAN 101   4.395  11.318   3.212
  237    H61  MAN 101           H61      MAN 101   6.226  13.481   4.300
  238    H62  MAN 101           H62      MAN 101   5.498  13.433   2.676
  239    HO2  MAN 101           HO2      MAN 101   4.820  11.941   7.112
  240    HO3  MAN 101           HO3      MAN 101   1.397  12.946   5.693
  241    HO4  MAN 101           HO4      MAN 101   2.494  14.051   4.669
  242    HO6  MAN 101           HO6      MAN 101   7.223  11.405   3.713
  Start of MODEL   19
    1    H1   THR   1           H1       THR   1  -2.511   5.638   9.296
    2    H2   THR   1           H2       THR   1  -3.440   7.075   9.352
    3    H3   THR   1           H3       THR   1  -1.760   7.131   9.410
    4    HA   THR   1           HA       THR   1  -3.285   6.168   7.117
    5    HB   THR   1           HB       THR   1  -1.895   8.823   7.553
    6    HG1  THR   1           HG1      THR   1  -4.411   9.263   7.219
    7   HG21  THR   1          HG21      THR   1  -2.990   9.457   5.449
    8   HG22  THR   1          HG22      THR   1  -3.717   7.857   5.327
    9   HG23  THR   1          HG23      THR   1  -1.969   8.039   5.197
   10    H    GLN   2           H        GLN   2  -1.981   5.253   5.553
   11    HA   GLN   2           HA       GLN   2   0.726   4.627   6.308
   12    HB2  GLN   2           HB2      GLN   2  -1.036   3.077   5.218
   13    HB3  GLN   2           HB3      GLN   2  -0.697   3.949   3.734
   14    HG2  GLN   2           HG2      GLN   2   0.561   1.900   3.799
   15    HG3  GLN   2           HG3      GLN   2   1.658   3.282   3.901
   16   HE21  GLN   2          HE21      GLN   2   0.195   0.675   5.636
   17   HE22  GLN   2          HE22      GLN   2   1.228   0.699   7.004
   18    H    SER   3           H        SER   3   2.558   5.361   5.098
   19    HA   SER   3           HA       SER   3   1.920   7.503   3.219
   20    HB2  SER   3           HB2      SER   3   4.022   7.525   5.367
   21    HB3  SER   3           HB3      SER   3   3.822   8.765   4.125
   22    H    HIS   4           H        HIS   4   4.341   8.230   2.367
   23    HA   HIS   4           HA       HIS   4   4.966   6.388   0.396
   24    HB2  HIS   4           HB2      HIS   4   5.541   8.831   0.344
   25    HB3  HIS   4           HB3      HIS   4   6.822   8.511   1.505
   26    HD1  HIS   4           HD1      HIS   4   9.038   7.509   0.580
   27    HD2  HIS   4           HD2      HIS   4   6.036   7.890  -2.275
   28    HE1  HIS   4           HE1      HIS   4  10.120   7.011  -1.595
   29    HE2  HIS   4           HE2      HIS   4   8.367   7.583  -3.304
   30    H    ALA   5           H        ALA   5   6.245   4.692   0.241
   31    HA   ALA   5           HA       ALA   5   7.735   3.088   0.617
   32    HB1  ALA   5           HB1      ALA   5   9.556   3.229   2.218
   33    HB2  ALA   5           HB2      ALA   5   8.764   4.565   3.050
   34    HB3  ALA   5           HB3      ALA   5   9.377   4.790   1.412
   35    H    GLY   6           H        GLY   6   5.165   3.749   2.391
   36    HA2  GLY   6           HA2      GLY   6   5.464   1.449   4.151
   37    HA3  GLY   6           HA3      GLY   6   4.163   2.637   4.193
   38    H    GLN   7           H        GLN   7   3.900  -0.213   4.122
   39    HA   GLN   7           HA       GLN   7   3.045  -0.860   1.438
   40    HB2  GLN   7           HB2      GLN   7   4.066  -2.661   2.721
   41    HB3  GLN   7           HB3      GLN   7   2.893  -2.450   4.014
   42    HG2  GLN   7           HG2      GLN   7   1.109  -3.239   2.584
   43    HG3  GLN   7           HG3      GLN   7   2.208  -3.321   1.211
   44   HE21  GLN   7          HE21      GLN   7   0.567  -5.395   2.520
   45   HE22  GLN   7          HE22      GLN   7   1.670  -6.637   2.959
   46    H    CYS   8           H        CYS   8   1.235  -0.102   0.715
   47    HA   CYS   8           HA       CYS   8  -0.864   0.754   2.517
   48    HB2  CYS   8           HB2      CYS   8  -1.967   1.519   0.428
   49    HB3  CYS   8           HB3      CYS   8  -0.366   2.208   0.701
   50    H    GLY   9           H        GLY   9  -0.178  -2.061   0.743
   51    HA2  GLY   9           HA2      GLY   9  -1.632  -3.845   1.789
   52    HA3  GLY   9           HA3      GLY   9  -2.941  -2.765   1.343
   53    H    GLY  10           H        GLY  10  -1.194  -5.411   0.526
   54    HA2  GLY  10           HA2      GLY  10  -2.370  -5.406  -2.146
   55    HA3  GLY  10           HA3      GLY  10  -0.965  -6.361  -1.641
   56    H    ILE  11           H        ILE  11  -2.176  -8.294  -2.198
   57    HA   ILE  11           HA       ILE  11  -4.601  -8.979  -0.941
   58    HB   ILE  11           HB       ILE  11  -2.416 -10.813  -1.986
   59   HG12  ILE  11          HG12      ILE  11  -4.960  -9.857  -3.323
   60   HG13  ILE  11          HG13      ILE  11  -3.357  -9.213  -3.646
   61   HG21  ILE  11          HG21      ILE  11  -5.318 -11.429  -1.373
   62   HG22  ILE  11          HG22      ILE  11  -3.922 -12.007  -0.465
   63   HG23  ILE  11          HG23      ILE  11  -4.170 -12.535  -2.128
   64   HD11  ILE  11          HD11      ILE  11  -4.278 -12.032  -4.159
   65   HD12  ILE  11          HD12      ILE  11  -2.661 -11.399  -4.469
   66   HD13  ILE  11          HD13      ILE  11  -4.041 -10.765  -5.366
   67    H    GLY  12           H        GLY  12  -5.040  -9.450   1.085
   68    HA2  GLY  12           HA2      GLY  12  -4.801 -10.713   3.039
   69    HA3  GLY  12           HA3      GLY  12  -3.087 -10.874   2.710
   70    H    TYR  13           H        TYR  13  -4.049  -7.679   2.305
   71    HA   TYR  13           HA       TYR  13  -3.069  -7.065   5.013
   72    HB2  TYR  13           HB2      TYR  13  -1.699  -6.299   3.032
   73    HB3  TYR  13           HB3      TYR  13  -3.045  -5.259   2.595
   74    HD1  TYR  13           HD1      TYR  13  -3.284  -3.117   3.619
   75    HD2  TYR  13           HD2      TYR  13  -0.484  -5.909   5.183
   76    HE1  TYR  13           HE1      TYR  13  -2.286  -1.334   4.987
   77    HE2  TYR  13           HE2      TYR  13   0.504  -4.142   6.575
   78    HH   TYR  13           HH       TYR  13   0.681  -1.756   6.608
   79    H    SER  14           H        SER  14  -4.418  -6.079   6.359
   80    HA   SER  14           HA       SER  14  -6.852  -4.841   5.312
   81    HB2  SER  14           HB2      SER  14  -7.905  -5.855   7.425
   82    HB3  SER  14           HB3      SER  14  -7.553  -6.941   6.073
   83    HG   SER  14           HG       SER  14  -5.930  -7.796   7.109
   84    H    GLY  15           H        GLY  15  -4.137  -4.014   6.526
   85    HA2  GLY  15           HA2      GLY  15  -4.922  -2.546   8.893
   86    HA3  GLY  15           HA3      GLY  15  -3.341  -2.524   8.120
   87    HA   PRO  16           HA       PRO  16  -5.127   1.503   6.973
   88    HB2  PRO  16           HB2      PRO  16  -2.745   2.824   6.854
   89    HB3  PRO  16           HB3      PRO  16  -3.662   2.614   8.347
   90    HG2  PRO  16           HG2      PRO  16  -1.245   1.166   7.398
   91    HG3  PRO  16           HG3      PRO  16  -1.722   1.608   9.043
   92    HD2  PRO  16           HD2      PRO  16  -1.992  -0.908   7.944
   93    HD3  PRO  16           HD3      PRO  16  -2.916  -0.305   9.331
   94    H    THR  17           H        THR  17  -5.776   1.094   4.922
   95    HA   THR  17           HA       THR  17  -3.793   0.543   2.900
   96    HB   THR  17           HB       THR  17  -5.841   0.131   1.479
   97    HG1  THR  17           HG1      THR  17  -7.662   0.768   2.281
   98   HG21  THR  17          HG21      THR  17  -5.633  -1.461   4.043
   99   HG22  THR  17          HG22      THR  17  -4.674  -1.724   2.586
  100   HG23  THR  17          HG23      THR  17  -6.416  -2.006   2.559
  101    H    VAL  18           H        VAL  18  -5.289   3.140   4.243
  102    HA   VAL  18           HA       VAL  18  -5.527   4.754   1.882
  103    HB   VAL  18           HB       VAL  18  -7.088   5.191   3.710
  104   HG11  VAL  18          HG11      VAL  18  -6.383   6.176   5.836
  105   HG12  VAL  18          HG12      VAL  18  -4.694   5.940   5.371
  106   HG13  VAL  18          HG13      VAL  18  -5.738   4.547   5.614
  107   HG21  VAL  18          HG21      VAL  18  -6.524   7.080   2.280
  108   HG22  VAL  18          HG22      VAL  18  -5.168   7.491   3.324
  109   HG23  VAL  18          HG23      VAL  18  -6.821   7.628   3.929
  110    H    CYS  19           H        CYS  19  -3.930   5.813   0.946
  111    HA   CYS  19           HA       CYS  19  -1.407   6.116   2.332
  112    HB2  CYS  19           HB2      CYS  19  -2.215   6.692  -0.526
  113    HB3  CYS  19           HB3      CYS  19  -0.593   6.919   0.116
  114    H    ALA  20           H        ALA  20  -0.446   8.062   2.666
  115    HA   ALA  20           HA       ALA  20  -1.972  10.240   3.450
  116    HB1  ALA  20           HB1      ALA  20   0.933  10.217   2.623
  117    HB2  ALA  20           HB2      ALA  20   0.313   9.836   4.229
  118    HB3  ALA  20           HB3      ALA  20   0.143  11.467   3.584
  119    H    SER  21           H        SER  21  -2.202  12.300   2.569
  120    HA   SER  21           HA       SER  21  -3.097  12.349  -0.066
  121    HB2  SER  21           HB2      SER  21  -3.815  13.816   1.880
  122    HB3  SER  21           HB3      SER  21  -2.341  14.739   1.623
  123    HG   SER  21           HG       SER  21  -4.420  14.312  -0.252
  124    H    GLY  22           H        GLY  22  -1.903  12.311  -1.823
  125    HA2  GLY  22           HA2      GLY  22  -0.364  13.524  -3.242
  126    HA3  GLY  22           HA3      GLY  22   0.663  13.767  -1.828
  127    H    THR  23           H        THR  23  -0.351  10.747  -1.397
  128    HA   THR  23           HA       THR  23   1.628   9.617  -3.233
  129    HB   THR  23           HB       THR  23   2.091   7.834  -1.532
  130    HG1  THR  23           HG1      THR  23   0.207   9.338  -0.078
  131   HG21  THR  23          HG21      THR  23   3.461   9.209  -0.006
  132   HG22  THR  23          HG22      THR  23   2.620  10.654  -0.578
  133   HG23  THR  23          HG23      THR  23   3.623   9.723  -1.686
  134    H    THR  24           H        THR  24   1.096   7.579  -4.141
  135    HA   THR  24           HA       THR  24  -1.743   6.950  -3.853
  136    HB   THR  24           HB       THR  24  -1.578   6.147  -6.262
  137    HG1  THR  24           HG1      THR  24   1.029   7.045  -5.889
  138   HG21  THR  24          HG21      THR  24  -1.780   8.421  -7.207
  139   HG22  THR  24          HG22      THR  24  -1.114   9.086  -5.712
  140   HG23  THR  24          HG23      THR  24  -2.671   8.261  -5.694
  141    H    CYS  25           H        CYS  25  -2.307   4.812  -3.706
  142    HA   CYS  25           HA       CYS  25  -0.295   3.039  -2.755
  143    HB2  CYS  25           HB2      CYS  25  -2.596   3.004  -1.846
  144    HB3  CYS  25           HB3      CYS  25  -3.202   2.485  -3.414
  145    H    GLN  26           H        GLN  26   1.123   2.309  -4.172
  146    HA   GLN  26           HA       GLN  26   0.150   1.492  -6.768
  147    HB2  GLN  26           HB2      GLN  26   2.955   1.941  -5.757
  148    HB3  GLN  26           HB3      GLN  26   2.530   1.420  -7.390
  149    HG2  GLN  26           HG2      GLN  26   1.695   4.008  -6.101
  150    HG3  GLN  26           HG3      GLN  26   2.983   3.827  -7.287
  151   HE21  GLN  26          HE21      GLN  26   0.503   5.386  -7.412
  152   HE22  GLN  26          HE22      GLN  26  -0.350   4.822  -8.789
  153    H    VAL  27           H        VAL  27  -0.410  -0.452  -6.959
  154    HA   VAL  27           HA       VAL  27   0.466  -2.525  -5.159
  155    HB   VAL  27           HB       VAL  27  -1.270  -2.767  -7.641
  156   HG11  VAL  27          HG11      VAL  27  -0.989  -4.599  -5.258
  157   HG12  VAL  27          HG12      VAL  27  -0.362  -4.900  -6.875
  158   HG13  VAL  27          HG13      VAL  27  -2.105  -4.828  -6.605
  159   HG21  VAL  27          HG21      VAL  27  -3.210  -2.670  -6.137
  160   HG22  VAL  27          HG22      VAL  27  -2.272  -1.173  -6.089
  161   HG23  VAL  27          HG23      VAL  27  -2.135  -2.341  -4.778
  162    H    LEU  28           H        LEU  28   2.542  -2.922  -5.533
  163    HA   LEU  28           HA       LEU  28   3.615  -3.061  -8.209
  164    HB2  LEU  28           HB2      LEU  28   4.901  -3.700  -5.548
  165    HB3  LEU  28           HB3      LEU  28   5.749  -3.554  -7.071
  166    HG   LEU  28           HG       LEU  28   4.323  -1.312  -5.630
  167   HD11  LEU  28          HD11      LEU  28   6.567  -0.431  -5.253
  168   HD12  LEU  28          HD12      LEU  28   7.253  -1.878  -5.991
  169   HD13  LEU  28          HD13      LEU  28   6.335  -2.003  -4.487
  170   HD21  LEU  28          HD21      LEU  28   5.378   0.143  -7.310
  171   HD22  LEU  28          HD22      LEU  28   4.254  -0.992  -8.047
  172   HD23  LEU  28          HD23      LEU  28   5.993  -1.279  -8.150
  173    H    ASN  29           H        ASN  29   3.770  -5.270  -5.498
  174    HA   ASN  29           HA       ASN  29   3.579  -7.535  -7.346
  175    HB2  ASN  29           HB2      ASN  29   4.225  -7.482  -4.366
  176    HB3  ASN  29           HB3      ASN  29   4.166  -8.924  -5.370
  177   HD21  ASN  29          HD21      ASN  29   6.049  -6.129  -4.490
  178   HD22  ASN  29          HD22      ASN  29   7.453  -6.590  -5.347
  179    HA   PRO  30           HA       PRO  30  -0.669  -8.265  -6.241
  180    HB2  PRO  30           HB2      PRO  30   0.008 -10.984  -5.228
  181    HB3  PRO  30           HB3      PRO  30  -1.174 -10.509  -6.450
  182    HG2  PRO  30           HG2      PRO  30   1.089 -11.653  -7.189
  183    HG3  PRO  30           HG3      PRO  30   0.434 -10.294  -8.119
  184    HD2  PRO  30           HD2      PRO  30   2.657 -10.319  -6.113
  185    HD3  PRO  30           HD3      PRO  30   2.587  -9.476  -7.675
  186    H    TYR  31           H        TYR  31   1.687  -9.340  -3.867
  187    HA   TYR  31           HA       TYR  31  -0.256  -8.824  -1.731
  188    HB2  TYR  31           HB2      TYR  31   2.510 -10.013  -1.566
  189    HB3  TYR  31           HB3      TYR  31   1.372  -9.857  -0.240
  190    HD1  TYR  31           HD1      TYR  31  -0.594 -11.308  -0.124
  191    HD2  TYR  31           HD2      TYR  31   2.276 -11.733  -3.223
  192    HE1  TYR  31           HE1      TYR  31  -1.475 -13.539  -0.623
  193    HE2  TYR  31           HE2      TYR  31   1.400 -13.964  -3.738
  194    HH   TYR  31           HH       TYR  31  -1.512 -15.090  -2.650
  195    H    TYR  32           H        TYR  32   2.577  -7.455  -3.193
  196    HA   TYR  32           HA       TYR  32   2.817  -5.713  -0.881
  197    HB2  TYR  32           HB2      TYR  32   4.894  -6.904  -1.305
  198    HB3  TYR  32           HB3      TYR  32   4.939  -6.287  -2.953
  199    HD1  TYR  32           HD1      TYR  32   6.156  -4.366  -3.408
  200    HD2  TYR  32           HD2      TYR  32   4.836  -5.077   0.575
  201    HE1  TYR  32           HE1      TYR  32   7.395  -2.391  -2.641
  202    HE2  TYR  32           HE2      TYR  32   6.083  -3.106   1.344
  203    HH   TYR  32           HH       TYR  32   7.822  -1.698   0.709
  204    H    SER  33           H        SER  33   1.941  -3.885  -1.028
  205    HA   SER  33           HA       SER  33   1.990  -2.392  -3.539
  206    HB2  SER  33           HB2      SER  33  -0.151  -2.484  -1.397
  207    HB3  SER  33           HB3      SER  33  -0.246  -1.531  -2.873
  208    HG   SER  33           HG       SER  33  -1.346  -3.598  -2.821
  209    H    GLN  34           H        GLN  34   2.668  -0.241  -3.232
  210    HA   GLN  34           HA       GLN  34   3.376   0.519  -0.469
  211    HB2  GLN  34           HB2      GLN  34   5.362  -0.325  -1.708
  212    HB3  GLN  34           HB3      GLN  34   5.093   0.909  -2.930
  213    HG2  GLN  34           HG2      GLN  34   5.382   2.628  -1.135
  214    HG3  GLN  34           HG3      GLN  34   5.849   1.324  -0.045
  215   HE21  GLN  34          HE21      GLN  34   7.283  -0.124  -2.162
  216   HE22  GLN  34          HE22      GLN  34   8.718   0.767  -2.479
  217    H    CYS  35           H        CYS  35   3.034   2.663   0.004
  218    HA   CYS  35           HA       CYS  35   1.508   4.222  -1.850
  219    HB2  CYS  35           HB2      CYS  35   2.732   5.015   0.802
  220    HB3  CYS  35           HB3      CYS  35   1.611   6.003  -0.127
  221    H    LEU  36           H        LEU  36   2.415   5.104  -3.523
  222    HA   LEU  36           HA       LEU  36   4.982   6.434  -3.216
  223    HB2  LEU  36           HB2      LEU  36   3.868   4.962  -5.607
  224    HB3  LEU  36           HB3      LEU  36   5.306   5.953  -5.645
  225    HG   LEU  36           HG       LEU  36   5.023   3.456  -3.965
  226   HD11  LEU  36          HD11      LEU  36   6.422   3.882  -6.602
  227   HD12  LEU  36          HD12      LEU  36   4.968   2.918  -6.347
  228   HD13  LEU  36          HD13      LEU  36   6.500   2.420  -5.623
  229   HD21  LEU  36          HD21      LEU  36   6.629   5.083  -3.090
  230   HD22  LEU  36          HD22      LEU  36   7.409   5.161  -4.669
  231   HD23  LEU  36          HD23      LEU  36   7.447   3.662  -3.738
  232    H1   MAN 101           H1       MAN 101   3.598   9.155   7.017
  233    H2   MAN 101           H2       MAN 101   0.860  10.378   6.660
  234    H3   MAN 101           H3       MAN 101   1.843  12.371   7.207
  235    H4   MAN 101           H4       MAN 101   4.094  10.749   8.499
  236    H5   MAN 101           H5       MAN 101   4.288  12.552   6.042
  237    H61  MAN 101           H61      MAN 101   6.005  10.910   5.388
  238    H62  MAN 101           H62      MAN 101   5.724   9.971   6.869
  239    HO2  MAN 101           HO2      MAN 101   1.217   8.460   7.903
  240    HO3  MAN 101           HO3      MAN 101   1.942  12.631   9.471
  241    HO4  MAN 101           HO4      MAN 101   3.813  12.783   9.485
  242    HO6  MAN 101           HO6      MAN 101   6.105  12.274   7.835
  Start of MODEL   20
    1    H1   THR   1           H1       THR   1  -3.170   7.433   8.779
    2    H2   THR   1           H2       THR   1  -1.587   7.812   8.343
    3    H3   THR   1           H3       THR   1  -1.895   6.288   8.970
    4    HA   THR   1           HA       THR   1  -3.209   5.870   6.948
    5    HB   THR   1           HB       THR   1  -2.632   7.545   5.087
    6    HG1  THR   1           HG1      THR   1  -2.323   9.738   6.172
    7   HG21  THR   1          HG21      THR   1  -4.339   8.560   7.363
    8   HG22  THR   1          HG22      THR   1  -4.875   7.421   6.135
    9   HG23  THR   1          HG23      THR   1  -4.437   9.070   5.677
   10    H    GLN   2           H        GLN   2  -1.915   5.192   4.920
   11    HA   GLN   2           HA       GLN   2   0.594   4.282   5.959
   12    HB2  GLN   2           HB2      GLN   2  -0.912   2.768   4.657
   13    HB3  GLN   2           HB3      GLN   2  -0.578   3.735   3.226
   14    HG2  GLN   2           HG2      GLN   2   0.801   1.726   3.270
   15    HG3  GLN   2           HG3      GLN   2   1.789   3.181   3.380
   16   HE21  GLN   2          HE21      GLN   2   0.648   0.380   5.044
   17   HE22  GLN   2          HE22      GLN   2   1.726   0.479   6.379
   18    H    SER   3           H        SER   3   2.563   4.798   5.299
   19    HA   SER   3           HA       SER   3   2.861   7.455   4.217
   20    HB2  SER   3           HB2      SER   3   5.213   7.030   5.000
   21    HB3  SER   3           HB3      SER   3   3.963   6.957   6.253
   22    H    HIS   4           H        HIS   4   4.634   7.863   2.722
   23    HA   HIS   4           HA       HIS   4   4.772   6.332   0.387
   24    HB2  HIS   4           HB2      HIS   4   5.539   8.719   0.576
   25    HB3  HIS   4           HB3      HIS   4   6.895   8.175   1.545
   26    HD1  HIS   4           HD1      HIS   4   8.978   7.450   0.299
   27    HD2  HIS   4           HD2      HIS   4   5.687   7.897  -2.192
   28    HE1  HIS   4           HE1      HIS   4   9.876   7.281  -2.035
   29    HE2  HIS   4           HE2      HIS   4   7.912   7.824  -3.501
   30    H    ALA   5           H        ALA   5   6.014   4.602  -0.179
   31    HA   ALA   5           HA       ALA   5   7.436   2.878  -0.099
   32    HB1  ALA   5           HB1      ALA   5   9.215   4.520   0.422
   33    HB2  ALA   5           HB2      ALA   5   9.518   2.955   1.165
   34    HB3  ALA   5           HB3      ALA   5   8.903   4.289   2.140
   35    H    GLY   6           H        GLY   6   5.106   3.320   1.916
   36    HA2  GLY   6           HA2      GLY   6   5.698   0.970   3.579
   37    HA3  GLY   6           HA3      GLY   6   4.433   2.158   3.900
   38    H    GLN   7           H        GLN   7   3.776  -0.535   3.868
   39    HA   GLN   7           HA       GLN   7   2.810  -1.209   1.218
   40    HB2  GLN   7           HB2      GLN   7   3.751  -2.994   2.598
   41    HB3  GLN   7           HB3      GLN   7   2.536  -2.696   3.834
   42    HG2  GLN   7           HG2      GLN   7   0.784  -3.414   2.338
   43    HG3  GLN   7           HG3      GLN   7   1.934  -3.640   1.027
   44   HE21  GLN   7          HE21      GLN   7   0.154  -5.595   2.236
   45   HE22  GLN   7          HE22      GLN   7   1.147  -6.846   2.847
   46    H    CYS   8           H        CYS   8   1.089  -0.241   0.541
   47    HA   CYS   8           HA       CYS   8  -0.904   0.823   2.361
   48    HB2  CYS   8           HB2      CYS   8  -1.912   1.679   0.300
   49    HB3  CYS   8           HB3      CYS   8  -0.252   2.209   0.576
   50    H    GLY   9           H        GLY   9  -0.823  -1.758  -0.057
   51    HA2  GLY   9           HA2      GLY   9  -3.049  -2.988   1.159
   52    HA3  GLY   9           HA3      GLY   9  -3.586  -2.024  -0.206
   53    H    GLY  10           H        GLY  10  -1.731  -4.702   0.820
   54    HA2  GLY  10           HA2      GLY  10  -1.780  -5.716  -1.937
   55    HA3  GLY  10           HA3      GLY  10  -0.590  -6.208  -0.724
   56    H    ILE  11           H        ILE  11  -1.964  -8.219  -1.837
   57    HA   ILE  11           HA       ILE  11  -4.400  -8.853  -0.571
   58    HB   ILE  11           HB       ILE  11  -2.290 -10.775  -1.625
   59   HG12  ILE  11          HG12      ILE  11  -4.729  -9.646  -3.029
   60   HG13  ILE  11          HG13      ILE  11  -3.074  -9.114  -3.310
   61   HG21  ILE  11          HG21      ILE  11  -5.246 -11.195  -1.133
   62   HG22  ILE  11          HG22      ILE  11  -3.935 -11.861  -0.164
   63   HG23  ILE  11          HG23      ILE  11  -4.142 -12.378  -1.837
   64   HD11  ILE  11          HD11      ILE  11  -3.832 -10.616  -5.054
   65   HD12  ILE  11          HD12      ILE  11  -4.169 -11.869  -3.856
   66   HD13  ILE  11          HD13      ILE  11  -2.512 -11.344  -4.143
   67    H    GLY  12           H        GLY  12  -4.718  -9.162   1.542
   68    HA2  GLY  12           HA2      GLY  12  -4.346 -10.591   3.461
   69    HA3  GLY  12           HA3      GLY  12  -2.638 -10.596   3.050
   70    H    TYR  13           H        TYR  13  -3.819  -7.535   2.615
   71    HA   TYR  13           HA       TYR  13  -2.779  -6.730   5.230
   72    HB2  TYR  13           HB2      TYR  13  -1.626  -5.790   3.257
   73    HB3  TYR  13           HB3      TYR  13  -3.141  -5.135   2.674
   74    HD1  TYR  13           HD1      TYR  13  -3.753  -2.969   3.255
   75    HD2  TYR  13           HD2      TYR  13  -0.734  -4.894   5.531
   76    HE1  TYR  13           HE1      TYR  13  -3.271  -0.850   4.398
   77    HE2  TYR  13           HE2      TYR  13  -0.251  -2.769   6.690
   78    HH   TYR  13           HH       TYR  13  -2.298   0.053   6.157
   79    H    SER  14           H        SER  14  -4.248  -6.208   6.715
   80    HA   SER  14           HA       SER  14  -6.941  -5.471   5.838
   81    HB2  SER  14           HB2      SER  14  -7.543  -6.275   8.176
   82    HB3  SER  14           HB3      SER  14  -6.996  -7.512   7.042
   83    HG   SER  14           HG       SER  14  -5.756  -7.948   8.698
   84    H    GLY  15           H        GLY  15  -4.218  -4.079   6.894
   85    HA2  GLY  15           HA2      GLY  15  -5.242  -2.288   8.896
   86    HA3  GLY  15           HA3      GLY  15  -3.680  -2.173   8.093
   87    HA   PRO  16           HA       PRO  16  -6.500   1.240   6.540
   88    HB2  PRO  16           HB2      PRO  16  -4.586   3.211   6.800
   89    HB3  PRO  16           HB3      PRO  16  -5.790   2.831   8.038
   90    HG2  PRO  16           HG2      PRO  16  -2.931   1.990   7.854
   91    HG3  PRO  16           HG3      PRO  16  -3.866   2.478   9.277
   92    HD2  PRO  16           HD2      PRO  16  -3.328  -0.105   8.724
   93    HD3  PRO  16           HD3      PRO  16  -4.837   0.392   9.510
   94    H    THR  17           H        THR  17  -6.567   1.170   4.332
   95    HA   THR  17           HA       THR  17  -4.110   0.659   2.869
   96    HB   THR  17           HB       THR  17  -5.627   0.277   0.948
   97    HG1  THR  17           HG1      THR  17  -7.569   0.905   1.027
   98   HG21  THR  17          HG21      THR  17  -6.401  -1.224   3.457
   99   HG22  THR  17          HG22      THR  17  -5.049  -1.598   2.386
  100   HG23  THR  17          HG23      THR  17  -6.706  -1.766   1.803
  101    H    VAL  18           H        VAL  18  -5.839   3.263   3.830
  102    HA   VAL  18           HA       VAL  18  -5.461   4.866   1.484
  103    HB   VAL  18           HB       VAL  18  -7.417   5.324   2.837
  104   HG11  VAL  18          HG11      VAL  18  -5.520   5.852   5.098
  105   HG12  VAL  18          HG12      VAL  18  -6.756   4.600   5.000
  106   HG13  VAL  18          HG13      VAL  18  -7.223   6.299   5.124
  107   HG21  VAL  18          HG21      VAL  18  -6.485   7.251   1.683
  108   HG22  VAL  18          HG22      VAL  18  -5.434   7.594   3.056
  109   HG23  VAL  18          HG23      VAL  18  -7.179   7.756   3.224
  110    H    CYS  19           H        CYS  19  -3.781   6.022   0.987
  111    HA   CYS  19           HA       CYS  19  -1.454   5.978   2.705
  112    HB2  CYS  19           HB2      CYS  19  -1.828   7.005  -0.114
  113    HB3  CYS  19           HB3      CYS  19  -0.295   6.888   0.736
  114    H    ALA  20           H        ALA  20  -0.197   7.932   2.973
  115    HA   ALA  20           HA       ALA  20  -1.668  10.122   3.920
  116    HB1  ALA  20           HB1      ALA  20   0.572   9.574   4.745
  117    HB2  ALA  20           HB2      ALA  20   0.528  11.229   4.133
  118    HB3  ALA  20           HB3      ALA  20   1.250   9.948   3.162
  119    H    SER  21           H        SER  21  -1.744  12.276   3.060
  120    HA   SER  21           HA       SER  21  -2.619  12.294   0.424
  121    HB2  SER  21           HB2      SER  21  -3.451  13.891   2.100
  122    HB3  SER  21           HB3      SER  21  -1.870  14.662   2.168
  123    HG   SER  21           HG       SER  21  -3.515  14.472  -0.134
  124    H    GLY  22           H        GLY  22  -1.651  12.501  -1.422
  125    HA2  GLY  22           HA2      GLY  22  -0.022  13.629  -2.809
  126    HA3  GLY  22           HA3      GLY  22   1.111  13.472  -1.477
  127    H    THR  23           H        THR  23  -0.056  10.708  -1.007
  128    HA   THR  23           HA       THR  23   1.413   9.440  -3.185
  129    HB   THR  23           HB       THR  23   1.991   7.605  -1.590
  130    HG1  THR  23           HG1      THR  23   0.559   9.259   0.174
  131   HG21  THR  23          HG21      THR  23   2.954  10.349  -0.798
  132   HG22  THR  23          HG22      THR  23   3.626   9.336  -2.083
  133   HG23  THR  23          HG23      THR  23   3.749   8.825  -0.400
  134    H    THR  24           H        THR  24   0.651   7.524  -3.989
  135    HA   THR  24           HA       THR  24  -2.124   6.904  -3.293
  136    HB   THR  24           HB       THR  24  -2.279   6.184  -5.722
  137    HG1  THR  24           HG1      THR  24   0.352   6.997  -5.661
  138   HG21  THR  24          HG21      THR  24  -2.628   8.480  -6.543
  139   HG22  THR  24          HG22      THR  24  -1.767   9.101  -5.134
  140   HG23  THR  24          HG23      THR  24  -3.303   8.257  -4.927
  141    H    CYS  25           H        CYS  25  -2.702   4.646  -3.596
  142    HA   CYS  25           HA       CYS  25  -0.553   2.940  -2.766
  143    HB2  CYS  25           HB2      CYS  25  -2.811   2.759  -1.772
  144    HB3  CYS  25           HB3      CYS  25  -3.434   2.231  -3.334
  145    H    GLN  26           H        GLN  26   0.836   2.372  -4.318
  146    HA   GLN  26           HA       GLN  26  -0.222   1.586  -6.926
  147    HB2  GLN  26           HB2      GLN  26   2.646   2.038  -6.097
  148    HB3  GLN  26           HB3      GLN  26   2.043   1.831  -7.726
  149    HG2  GLN  26           HG2      GLN  26   1.453   4.173  -5.916
  150    HG3  GLN  26           HG3      GLN  26   2.612   4.142  -7.237
  151   HE21  GLN  26          HE21      GLN  26   1.621   5.846  -8.228
  152   HE22  GLN  26          HE22      GLN  26   0.098   5.689  -9.042
  153    H    VAL  27           H        VAL  27  -0.385  -0.469  -7.355
  154    HA   VAL  27           HA       VAL  27   0.576  -2.420  -5.475
  155    HB   VAL  27           HB       VAL  27  -0.878  -2.826  -8.112
  156   HG11  VAL  27          HG11      VAL  27  -1.454  -5.036  -7.230
  157   HG12  VAL  27          HG12      VAL  27  -0.480  -4.719  -5.799
  158   HG13  VAL  27          HG13      VAL  27   0.292  -4.838  -7.382
  159   HG21  VAL  27          HG21      VAL  27  -2.901  -3.086  -6.757
  160   HG22  VAL  27          HG22      VAL  27  -2.183  -1.485  -6.556
  161   HG23  VAL  27          HG23      VAL  27  -1.970  -2.711  -5.304
  162    H    LEU  28           H        LEU  28   2.562  -3.130  -5.575
  163    HA   LEU  28           HA       LEU  28   3.996  -3.071  -8.129
  164    HB2  LEU  28           HB2      LEU  28   5.030  -3.526  -5.320
  165    HB3  LEU  28           HB3      LEU  28   6.021  -3.385  -6.759
  166    HG   LEU  28           HG       LEU  28   4.337  -1.180  -5.562
  167   HD11  LEU  28          HD11      LEU  28   6.492  -0.164  -5.003
  168   HD12  LEU  28          HD12      LEU  28   7.308  -1.621  -5.578
  169   HD13  LEU  28          HD13      LEU  28   6.235  -1.702  -4.179
  170   HD21  LEU  28          HD21      LEU  28   5.496   0.274  -7.176
  171   HD22  LEU  28          HD22      LEU  28   4.518  -0.949  -7.986
  172   HD23  LEU  28          HD23      LEU  28   6.268  -1.141  -7.891
  173    H    ASN  29           H        ASN  29   4.032  -5.152  -5.290
  174    HA   ASN  29           HA       ASN  29   4.063  -7.535  -6.987
  175    HB2  ASN  29           HB2      ASN  29   4.372  -7.192  -3.976
  176    HB3  ASN  29           HB3      ASN  29   4.421  -8.730  -4.821
  177   HD21  ASN  29          HD21      ASN  29   6.396  -7.493  -3.121
  178   HD22  ASN  29          HD22      ASN  29   7.823  -7.324  -4.068
  179    HA   PRO  30           HA       PRO  30  -0.270  -8.228  -6.092
  180    HB2  PRO  30           HB2      PRO  30   0.293 -10.931  -4.999
  181    HB3  PRO  30           HB3      PRO  30  -0.732 -10.470  -6.363
  182    HG2  PRO  30           HG2      PRO  30   1.615 -11.670  -6.773
  183    HG3  PRO  30           HG3      PRO  30   1.055 -10.375  -7.845
  184    HD2  PRO  30           HD2      PRO  30   3.056 -10.264  -5.626
  185    HD3  PRO  30           HD3      PRO  30   3.128  -9.513  -7.234
  186    H    TYR  31           H        TYR  31   2.056  -9.029  -3.627
  187    HA   TYR  31           HA       TYR  31   0.003  -8.642  -1.554
  188    HB2  TYR  31           HB2      TYR  31   2.746  -9.895  -1.362
  189    HB3  TYR  31           HB3      TYR  31   1.631  -9.703  -0.021
  190    HD1  TYR  31           HD1      TYR  31  -0.067 -11.255   0.371
  191    HD2  TYR  31           HD2      TYR  31   2.063 -11.391  -3.293
  192    HE1  TYR  31           HE1      TYR  31  -1.114 -13.391  -0.142
  193    HE2  TYR  31           HE2      TYR  31   1.026 -13.534  -3.832
  194    HH   TYR  31           HH       TYR  31  -0.006 -15.384  -2.662
  195    H    TYR  32           H        TYR  32   2.956  -7.326  -2.846
  196    HA   TYR  32           HA       TYR  32   2.923  -5.412  -0.652
  197    HB2  TYR  32           HB2      TYR  32   5.081  -6.595  -0.963
  198    HB3  TYR  32           HB3      TYR  32   5.199  -5.921  -2.583
  199    HD1  TYR  32           HD1      TYR  32   6.045  -3.725  -2.921
  200    HD2  TYR  32           HD2      TYR  32   5.118  -5.058   1.009
  201    HE1  TYR  32           HE1      TYR  32   7.151  -1.739  -1.987
  202    HE2  TYR  32           HE2      TYR  32   6.221  -3.077   1.951
  203    HH   TYR  32           HH       TYR  32   7.950  -1.492   1.268
  204    H    SER  33           H        SER  33   1.868  -3.679  -1.077
  205    HA   SER  33           HA       SER  33   2.198  -2.423  -3.694
  206    HB2  SER  33           HB2      SER  33  -0.174  -2.236  -1.810
  207    HB3  SER  33           HB3      SER  33  -0.053  -1.503  -3.410
  208    HG   SER  33           HG       SER  33  -1.179  -3.639  -3.085
  209    H    GLN  34           H        GLN  34   2.645  -0.183  -3.534
  210    HA   GLN  34           HA       GLN  34   3.440   0.594  -0.820
  211    HB2  GLN  34           HB2      GLN  34   5.311  -0.293  -2.166
  212    HB3  GLN  34           HB3      GLN  34   5.014   0.951  -3.362
  213    HG2  GLN  34           HG2      GLN  34   5.534   2.659  -1.705
  214    HG3  GLN  34           HG3      GLN  34   5.827   1.392  -0.514
  215   HE21  GLN  34          HE21      GLN  34   7.688   0.117  -0.692
  216   HE22  GLN  34          HE22      GLN  34   8.980   0.582  -1.736
  217    H    CYS  35           H        CYS  35   3.088   2.695  -0.309
  218    HA   CYS  35           HA       CYS  35   1.463   4.289  -2.029
  219    HB2  CYS  35           HB2      CYS  35   2.845   5.062   0.547
  220    HB3  CYS  35           HB3      CYS  35   1.617   6.012  -0.280
  221    H    LEU  36           H        LEU  36   2.166   5.330  -3.665
  222    HA   LEU  36           HA       LEU  36   4.755   6.655  -3.568
  223    HB2  LEU  36           HB2      LEU  36   3.534   5.148  -5.869
  224    HB3  LEU  36           HB3      LEU  36   4.963   6.150  -6.000
  225    HG   LEU  36           HG       LEU  36   4.766   3.668  -4.281
  226   HD11  LEU  36          HD11      LEU  36   4.660   3.117  -6.665
  227   HD12  LEU  36          HD12      LEU  36   6.189   2.614  -5.947
  228   HD13  LEU  36          HD13      LEU  36   6.124   4.065  -6.944
  229   HD21  LEU  36          HD21      LEU  36   7.192   3.902  -4.125
  230   HD22  LEU  36          HD22      LEU  36   6.363   5.295  -3.439
  231   HD23  LEU  36          HD23      LEU  36   7.108   5.409  -5.034
  232    H1   MAN 101           H1       MAN 101   6.630   5.486   6.343
  233    H2   MAN 101           H2       MAN 101   6.144   3.004   5.958
  234    H3   MAN 101           H3       MAN 101   3.949   2.792   6.931
  235    H4   MAN 101           H4       MAN 101   5.249   3.605   9.584
  236    H5   MAN 101           H5       MAN 101   3.335   5.104   7.711
  237    H61  MAN 101           H61      MAN 101   3.693   6.991   9.278
  238    H62  MAN 101           H62      MAN 101   4.466   5.891  10.448
  239    HO2  MAN 101           HO2      MAN 101   7.018   3.806   8.554
  240    HO3  MAN 101           HO3      MAN 101   5.413   0.994   7.247
  241    HO4  MAN 101           HO4      MAN 101   3.069   3.575  10.259
  242    HO6  MAN 101           HO6      MAN 101   2.225   6.148  10.902