*HEADER    PROTEIN BINDING                         27-JAN-09   2KE7              
*TITLE     NMR STRUCTURE OF THE FIRST SAM DOMAIN FROM AIDA1                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ANKYRIN REPEAT AND STERILE ALPHA MOTIF DOMAIN-             
*COMPND   3 CONTAINING PROTEIN 1B;                                               
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 FRAGMENT: FIRST SAM DOMAIN;                                          
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: ANKS1B;                                                        
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: K12;                                       
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR: BL21(DE3);                                 
*SOURCE  11 EXPRESSION_SYSTEM_PLASMID: PDEST586;                                 
*SOURCE  12 OTHER_DETAILS: THIS VECTOR IS FROM THE NIH STRUCTURAL                
*SOURCE  13 GENOMICS CONSORTIUM. IT CONTAINS A HIS6 TAG, MALTOSE                 
*SOURCE  14 BINDING PROTEIN TAG AND A TEV PROTEASE CLEAVAGE SITE                 
*KEYWDS    SAM DOMAIN, ALTERNATIVE SPLICING, ANK REPEAT, CELL JUNCTION,          
*KEYWDS   2 CELL MEMBRANE, CELL PROJECTION, CYTOPLASM, MEMBRANE,                 
*KEYWDS   3 NUCLEUS, PHOSPHOPROTEIN, POSTSYNAPTIC CELL MEMBRANE,                 
*KEYWDS   4 SYNAPSE, PROTEIN BINDING                                             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    L.DONALDSON                                                           
*REVDAT   1   02-FEB-10 2KE7    0                                                


assign ( resid   23 and name    HN )
       ( resid   23 and name    HA )
        4.43  2.63  0.00 peak 10000 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   23 and name    HN )
       ( resid   23 and name   HG2 )
        5.07  3.27  0.00 peak 10002 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   23 and name    HA )
       ( resid   24 and name    HN )
        4.45  2.65  0.00 peak 10006 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   23 and name   HG2 )
       ( resid   24 and name    HN )
        4.34  2.54  0.00 peak 10007 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   24 and name    HN )
       ( resid   24 and name  HG2# )
        4.09  2.29  0.00 peak 10009 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   24 and name    HA )
       ( resid   25 and name    HN )
        3.71  1.91  0.00 peak 10010 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   24 and name    HB )
       ( resid   25 and name    HN )
        3.55  1.75  0.00 peak 10011 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HN )
       ( resid   25 and name    HA )
        4.34  2.54  0.00 peak 10012 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HN )
       ( resid   25 and name    HB )
        3.57  1.77  0.00 peak 10013 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   24 and name  HG2# )
       ( resid   25 and name    HN )
        4.57  2.77  0.00 peak 10014 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HB )
       ( resid   26 and name    HN )
        4.16  2.36  0.00 peak 10022 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   26 and name    HN )
       ( resid   27 and name    HN )
        4.00  2.20  0.00 peak 10026 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name    HN )
       ( resid   27 and name    HA )
        3.86  2.06  0.00 peak 10029 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name    HN )
       ( resid   30 and name    HN )
        4.64  2.84  0.00 peak 10038 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name    HN )
       ( resid   28 and name    HN )
        4.11  2.31  0.00 peak 10039 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name    HN )
       ( resid   28 and name    HA )
        4.10  2.30  0.00 peak 10040 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name    HA )
       ( resid   28 and name    HN )
        4.48  2.68  0.00 peak 10041 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HA )
       ( resid   28 and name    HN )
        4.59  2.79  0.00 peak 10042 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name    HN )
       ( resid   28 and name   HB2 )
        4.07  2.27  0.00 peak 10043 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name    HN )
       ( resid   28 and name   HB1 )
        3.98  2.18  0.00 peak 10044 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name    HN )
       ( resid   29 and name    HN )
        4.37  2.57  0.00 peak 10048 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HN )
       ( resid   30 and name    HN )
        4.08  2.28  0.00 peak 10049 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HE3 )
       ( resid   29 and name    HN )
        4.58  2.78  0.00 peak 10050 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HN )
       ( resid   29 and name    HA )
        4.52  2.72  0.00 peak 10051 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HB1 )
       ( resid   29 and name    HN )
        4.47  2.67  0.00 peak 10052 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HN )
       ( resid   29 and name    HG )
        3.89  2.09  0.00 peak 10053 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HN )
       ( resid   29 and name   HB1 )
        4.20  2.40  0.00 peak 10054 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HN )
       ( resid   29 and name   HB2 )
        4.33  2.53  0.00 peak 10055 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HN )
       ( resid   29 and name  HD1# )
        4.42  2.62  0.00 peak 10056 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HN )
       ( resid   29 and name  HD2# )
        4.48  2.68  0.00 peak 10057 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   30 and name    HN )
       ( resid   31 and name    HN )
        3.84  2.04  0.00 peak 10059 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name    HA )
       ( resid   30 and name    HN )
        4.40  2.60  0.00 peak 10060 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   30 and name    HN )
       ( resid   30 and name    HA )
        4.83  3.03  0.00 peak 10061 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HA )
       ( resid   30 and name    HN )
        4.75  2.95  0.00 peak 10062 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   30 and name    HN )
       ( resid   30 and name   HB2 )
        3.51  1.71  0.00 peak 10063 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name   HB1 )
       ( resid   30 and name    HN )
        4.63  2.83  0.00 peak 10064 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name   HB2 )
       ( resid   30 and name    HN )
        4.43  2.63  0.00 peak 10065 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   30 and name    HN )
       ( resid   32 and name  HG1* )
        4.47  2.67  0.00 peak 10066 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name  HD2# )
       ( resid   30 and name    HN )
        4.77  2.97  0.00 peak 10067 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   31 and name    HN )
       ( resid   32 and name    HN )
        4.00  2.20  0.00 peak 10069 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   31 and name    HN )
       ( resid   31 and name    HA )
        3.70  1.90  0.00 peak 10070 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   31 and name    HN )
       ( resid   31 and name   HB2 )
        3.39  1.59  0.00 peak 10071 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   74 and name    HN )
       ( resid   74 and name   HB1 )
        3.69  1.89  0.00 peak 10072 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HN )
       ( resid   33 and name    HN )
        3.83  2.03  0.00 peak 10074 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HN )
       ( resid   32 and name    HA )
        4.32  2.52  0.00 peak 10075 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   31 and name   HB2 )
       ( resid   32 and name    HN )
        4.41  2.61  0.00 peak 10076 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HA )
       ( resid   32 and name    HN )
        4.81  3.01  0.00 peak 10077 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HN )
       ( resid   32 and name    HB )
        4.70  2.90  0.00 peak 10078 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HN )
       ( resid   32 and name  HG1* )
        4.22  2.42  0.00 peak 10079 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HN )
       ( resid   32 and name  HG1* )
        3.96  2.16  0.00 peak 10080 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HN )
       ( resid   32 and name  HG2# )
        3.95  2.15  0.00 peak 10081 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HN )
       ( resid   32 and name  HD1# )
        4.77  2.97  0.00 peak 10082 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HA )
       ( resid   33 and name    HN )
        4.26  2.46  0.00 peak 10084 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   33 and name    HN )
       ( resid   33 and name   HA2 )
        3.49  1.69  0.00 peak 10086 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HB )
       ( resid   33 and name    HN )
        4.65  2.85  0.00 peak 10087 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name  HG1* )
       ( resid   33 and name    HN )
        4.83  3.03  0.00 peak 10088 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name  HG1* )
       ( resid   33 and name    HN )
        4.54  2.74  0.00 peak 10089 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name  HG2# )
       ( resid   33 and name    HN )
        4.78  2.98  0.00 peak 10090 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HN )
       ( resid   34 and name    HN )
        4.80  3.00  0.00 peak 10091 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name    HN )
       ( resid   34 and name    HA )
        4.45  2.65  0.00 peak 10092 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   30 and name    HA )
       ( resid   34 and name    HN )
        4.26  2.46  0.00 peak 10095 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name    HN )
       ( resid   35 and name   HD1 )
        4.59  2.79  0.00 peak 10096 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name    HN )
       ( resid   34 and name   HB2 )
        4.63  2.83  0.00 peak 10098 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name    HN )
       ( resid   34 and name   HB1 )
        3.89  2.09  0.00 peak 10099 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name  HG1* )
       ( resid   34 and name    HN )
        4.44  2.64  0.00 peak 10100 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name    HN )
       ( resid   34 and name  HD1# )
        4.55  2.75  0.00 peak 10101 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name    HN )
       ( resid   34 and name  HD2# )
        4.63  2.83  0.00 peak 10102 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   36 and name    HN )
       ( resid   38 and name    HN )
        4.71  2.91  0.00 peak 10103 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   36 and name    HN )
       ( resid   36 and name    HA )
        3.95  2.15  0.00 peak 10106 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   36 and name    HN )
       ( resid   37 and name    HN )
        3.83  2.03  0.00 peak 10111 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HN )
       ( resid   38 and name    HN )
        3.75  1.95  0.00 peak 10112 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HN )
       ( resid   37 and name   HD* )
        4.69  2.89  0.00 peak 10113 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HN )
       ( resid   37 and name    HA )
        4.66  2.86  0.00 peak 10114 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HN )
       ( resid   37 and name   HB2 )
        4.49  2.69  0.00 peak 10116 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HN )
       ( resid   37 and name   HB1 )
        3.76  1.96  0.00 peak 10117 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name  HD1# )
       ( resid   37 and name    HN )
        3.96  2.16  0.00 peak 10119 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HA )
       ( resid   38 and name    HN )
        4.54  2.74  0.00 peak 10123 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   38 and name    HN )
       ( resid   38 and name    HA )
        4.37  2.57  0.00 peak 10124 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name  HD1# )
       ( resid   38 and name    HN )
        4.24  2.44  0.00 peak 10126 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   38 and name    HN )
       ( resid   39 and name    HN )
        4.60  2.80  0.00 peak 10128 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name    HN )
       ( resid   39 and name    HA )
        4.60  2.80  0.00 peak 10129 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name    HN )
       ( resid   39 and name   HB2 )
        4.04  2.24  0.00 peak 10130 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   38 and name   HB1 )
       ( resid   39 and name    HN )
        3.96  2.16  0.00 peak 10131 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name    HN )
       ( resid   40 and name    HN )
        4.05  2.25  0.00 peak 10132 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name    HN )
       ( resid   41 and name    HN )
        3.85  2.05  0.00 peak 10133 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HA )
       ( resid   40 and name    HN )
        4.46  2.66  0.00 peak 10134 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name    HA )
       ( resid   40 and name    HN )
        4.56  2.76  0.00 peak 10136 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name    HN )
       ( resid   40 and name    HA )
        4.15  2.35  0.00 peak 10137 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name    HN )
       ( resid   40 and name   HB2 )
        4.00  2.20  0.00 peak 10138 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name   HB1 )
       ( resid   40 and name    HN )
        4.05  2.25  0.00 peak 10139 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HN )
       ( resid   42 and name    HN )
        4.25  2.45  0.00 peak 10144 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name    HN )
       ( resid   48 and name    HA )
        3.40  1.60  0.00 peak 10146 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name    HN )
       ( resid   51 and name    HA )
        4.28  2.48  0.00 peak 10147 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HN )
       ( resid   41 and name    HA )
        4.24  2.44  0.00 peak 10148 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name    HA )
       ( resid   51 and name    HN )
        4.30  2.50  0.00 peak 10149 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name    HN )
       ( resid   51 and name   HB1 )
        3.57  1.77  0.00 peak 10150 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name    HN )
       ( resid   51 and name   HB2 )
        3.43  1.63  0.00 peak 10151 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name    HN )
       ( resid   48 and name   HB1 )
        3.52  1.72  0.00 peak 10152 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HN )
       ( resid   41 and name   HB1 )
        3.25  1.45  0.00 peak 10154 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HN )
       ( resid   41 and name  HD1# )
        3.95  2.15  0.00 peak 10155 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name    HN )
       ( resid   42 and name    HA )
        4.18  2.38  0.00 peak 10158 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name    HN )
       ( resid   42 and name   HB2 )
        3.85  2.05  0.00 peak 10161 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name   HB1 )
       ( resid   42 and name    HN )
        4.35  2.55  0.00 peak 10162 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   43 and name    HN )
       ( resid   43 and name    HA )
        3.81  2.01  0.00 peak 10165 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   43 and name    HN )
       ( resid   43 and name   HB# )
        3.70  1.90  0.00 peak 10166 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   43 and name    HN )
       ( resid   44 and name    HN )
        3.93  2.13  0.00 peak 10168 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name    HN )
       ( resid   46 and name    HN )
        4.77  2.97  0.00 peak 10169 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name    HN )
       ( resid   44 and name    HA )
        4.81  3.01  0.00 peak 10171 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   43 and name    HA )
       ( resid   44 and name    HN )
        4.36  2.56  0.00 peak 10172 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name    HN )
       ( resid   44 and name   HB2 )
        4.35  2.55  0.00 peak 10173 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name    HN )
       ( resid   44 and name   HB1 )
        4.36  2.56  0.00 peak 10174 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   43 and name   HB# )
       ( resid   44 and name    HN )
        4.80  3.00  0.00 peak 10175 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   45 and name    HN )
       ( resid   46 and name    HN )
        3.60  1.80  0.00 peak 10177 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name    HN )
       ( resid   45 and name    HN )
        4.06  2.26  0.00 peak 10178 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name    HA )
       ( resid   45 and name    HN )
        3.92  2.12  0.00 peak 10179 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   43 and name    HA )
       ( resid   45 and name    HN )
        4.73  2.93  0.00 peak 10181 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   45 and name    HN )
       ( resid   45 and name   HA2 )
        4.46  2.66  0.00 peak 10183 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name   HB2 )
       ( resid   45 and name    HN )
        4.76  2.96  0.00 peak 10184 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name   HB1 )
       ( resid   45 and name    HN )
        4.57  2.77  0.00 peak 10185 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   43 and name   HB# )
       ( resid   45 and name    HN )
        4.86  3.06  0.00 peak 10186 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name    HN )
       ( resid   47 and name    HN )
        4.50  2.70  0.00 peak 10188 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   45 and name   HA2 )
       ( resid   46 and name    HN )
        4.28  2.48  0.00 peak 10189 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name    HN )
       ( resid   46 and name   HB1 )
        3.62  1.82  0.00 peak 10191 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   47 and name    HN )
       ( resid   47 and name   HB1 )
        4.01  2.21  0.00 peak 10196 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   47 and name    HN )
       ( resid   47 and name   HB2 )
        4.39  2.59  0.00 peak 10197 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HN )
       ( resid   49 and name    HA )
        4.56  2.76  0.00 peak 10199 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name   HB2 )
       ( resid   49 and name    HN )
        4.78  2.98  0.00 peak 10200 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HN )
       ( resid   49 and name    HB )
        4.11  2.31  0.00 peak 10201 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name  HG1# )
       ( resid   49 and name    HN )
        4.73  2.93  0.00 peak 10202 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HN )
       ( resid   49 and name  HG1# )
        4.51  2.71  0.00 peak 10203 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HN )
       ( resid   49 and name  HG2# )
        4.47  2.67  0.00 peak 10204 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HN )
       ( resid   50 and name    HN )
        3.97  2.17  0.00 peak 10205 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name    HN )
       ( resid   51 and name    HN )
        3.81  2.01  0.00 peak 10206 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name    HN )
       ( resid   50 and name    HA )
        3.91  2.11  0.00 peak 10207 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HA )
       ( resid   50 and name    HN )
        4.22  2.42  0.00 peak 10208 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name  HG1# )
       ( resid   50 and name    HN )
        4.45  2.65  0.00 peak 10210 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name  HG2# )
       ( resid   50 and name    HN )
        4.34  2.54  0.00 peak 10211 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   55 and name    HN )
       ( resid   55 and name    HA )
        4.05  2.25  0.00 peak 10213 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name    HA )
       ( resid   52 and name    HN )
        4.19  2.39  0.00 peak 10214 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name    HN )
       ( resid   52 and name    HA )
        3.91  2.11  0.00 peak 10215 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name   HB2 )
       ( resid   52 and name    HN )
        4.54  2.74  0.00 peak 10217 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name    HN )
       ( resid   54 and name    HN )
        4.25  2.45  0.00 peak 10220 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name    HA )
       ( resid   53 and name    HN )
        4.67  2.87  0.00 peak 10222 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name    HN )
       ( resid   83 and name   HB2 )
        4.74  2.94  0.00 peak 10225 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name    HN )
       ( resid   53 and name    HN )
        4.10  2.30  0.00 peak 10226 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name   HB1 )
       ( resid   52 and name    HN )
        4.08  2.28  0.00 peak 10230 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name    HN )
       ( resid   52 and name   HB2 )
        3.88  2.08  0.00 peak 10231 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   55 and name    HN )
       ( resid   56 and name    HN )
        4.15  2.35  0.00 peak 10233 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name    HN )
       ( resid   56 and name    HA )
        4.52  2.72  0.00 peak 10234 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name    HN )
       ( resid   56 and name    HB )
        4.70  2.90  0.00 peak 10236 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name    HN )
       ( resid   56 and name  HG1# )
        3.43  1.63  0.00 peak 10237 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   57 and name    HN )
       ( resid   58 and name    HN )
        3.90  2.10  0.00 peak 10238 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   57 and name    HN )
       ( resid   57 and name    HA )
        4.10  2.30  0.00 peak 10240 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name    HA )
       ( resid   57 and name    HN )
        3.79  1.99  0.00 peak 10241 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   57 and name    HN )
       ( resid   57 and name   HG2 )
        4.02  2.22  0.00 peak 10242 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   57 and name    HN )
       ( resid   57 and name   HG1 )
        3.48  1.68  0.00 peak 10243 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   57 and name    HA )
       ( resid   58 and name    HN )
        3.58  1.78  0.00 peak 10246 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   58 and name    HN )
       ( resid   58 and name   HB2 )
        4.16  2.36  0.00 peak 10248 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   58 and name    HA )
       ( resid   59 and name    HN )
        3.83  2.03  0.00 peak 10249 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name    HN )
       ( resid   59 and name    HA )
        3.99  2.19  0.00 peak 10250 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name    HN )
       ( resid   59 and name   HB1 )
        3.66  1.86  0.00 peak 10251 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   58 and name   HB1 )
       ( resid   59 and name    HN )
        3.64  1.84  0.00 peak 10252 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name    HA )
       ( resid   60 and name    HN )
        4.49  2.69  0.00 peak 10258 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name    HN )
       ( resid   60 and name    HA )
        3.80  2.00  0.00 peak 10259 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name   HB2 )
       ( resid   60 and name    HN )
        4.12  2.32  0.00 peak 10261 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name    HN )
       ( resid   60 and name   HB2 )
        3.49  1.69  0.00 peak 10262 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name    HN )
       ( resid   60 and name   HG1 )
        3.32  1.52  0.00 peak 10263 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name    HN )
       ( resid   61 and name    HN )
        3.74  1.94  0.00 peak 10265 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name    HN )
       ( resid   61 and name    HA )
        3.74  1.94  0.00 peak 10266 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name    HA )
       ( resid   61 and name    HN )
        4.70  2.90  0.00 peak 10267 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name    HA )
       ( resid   61 and name    HN )
        4.32  2.52  0.00 peak 10268 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name    HN )
       ( resid   61 and name   HB2 )
        3.69  1.89  0.00 peak 10269 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name    HN )
       ( resid   61 and name   HB1 )
        3.71  1.91  0.00 peak 10270 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name   HB2 )
       ( resid   61 and name    HN )
        3.75  1.95  0.00 peak 10272 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name    HN )
       ( resid   62 and name    HN )
        3.67  1.87  0.00 peak 10276 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HN )
       ( resid   62 and name    HA )
        4.27  2.47  0.00 peak 10277 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name    HA )
       ( resid   62 and name    HN )
        4.64  2.84  0.00 peak 10278 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name   HB2 )
       ( resid   62 and name    HN )
        4.54  2.74  0.00 peak 10279 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name   HB1 )
       ( resid   62 and name    HN )
        4.59  2.79  0.00 peak 10280 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HN )
       ( resid   62 and name   HB2 )
        4.01  2.21  0.00 peak 10282 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HN )
       ( resid   62 and name    HG )
        4.39  2.59  0.00 peak 10283 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HN )
       ( resid   62 and name   HB1 )
        4.56  2.76  0.00 peak 10284 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HN )
       ( resid   62 and name  HD1# )
        3.92  2.12  0.00 peak 10285 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HN )
       ( resid   62 and name  HD2# )
        4.30  2.50  0.00 peak 10286 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HN )
       ( resid   64 and name    HN )
        4.00  2.20  0.00 peak 10287 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HN )
       ( resid   63 and name    HN )
        3.60  1.80  0.00 peak 10288 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name    HN )
       ( resid   63 and name    HN )
        4.67  2.87  0.00 peak 10289 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HN )
       ( resid   73 and name   HD2 )
        4.77  2.97  0.00 peak 10291 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HN )
       ( resid   73 and name   HD3 )
        4.58  2.78  0.00 peak 10292 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HN )
       ( resid   64 and name   HB2 )
        4.63  2.83  0.00 peak 10293 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HN )
       ( resid   63 and name   HB2 )
        4.07  2.27  0.00 peak 10294 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HN )
       ( resid   63 and name   HB1 )
        3.64  1.84  0.00 peak 10295 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name  HD1# )
       ( resid   63 and name    HN )
        4.34  2.54  0.00 peak 10296 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   64 and name    HN )
       ( resid   64 and name    HA )
        4.72  2.92  0.00 peak 10299 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   64 and name    HN )
       ( resid   64 and name   HG2 )
        3.60  1.80  0.00 peak 10300 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name   HB1 )
       ( resid   64 and name    HN )
        4.00  2.20  0.00 peak 10301 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   64 and name    HN )
       ( resid   65 and name    HN )
        4.19  2.39  0.00 peak 10303 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HN )
       ( resid   66 and name    HN )
        3.61  1.81  0.00 peak 10304 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HN )
       ( resid   65 and name    HA )
        3.95  2.15  0.00 peak 10305 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   64 and name    HA )
       ( resid   65 and name    HN )
        4.17  2.37  0.00 peak 10306 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HN )
       ( resid   65 and name    HB )
        4.43  2.63  0.00 peak 10307 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   64 and name   HB2 )
       ( resid   65 and name    HN )
        4.32  2.52  0.00 peak 10308 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HN )
       ( resid   65 and name  HG1* )
        4.12  2.32  0.00 peak 10309 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HN )
       ( resid   65 and name  HG1* )
        4.28  2.48  0.00 peak 10310 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HN )
       ( resid   65 and name  HG2# )
        3.68  1.88  0.00 peak 10311 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HN )
       ( resid   65 and name  HD1# )
        3.97  2.17  0.00 peak 10312 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HA )
       ( resid   66 and name    HN )
        3.67  1.87  0.00 peak 10314 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   64 and name    HA )
       ( resid   66 and name    HN )
        4.33  2.53  0.00 peak 10315 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   66 and name    HN )
       ( resid   66 and name   HA2 )
        3.46  1.66  0.00 peak 10316 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HB )
       ( resid   66 and name    HN )
        4.71  2.91  0.00 peak 10317 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name  HG1* )
       ( resid   66 and name    HN )
        4.42  2.62  0.00 peak 10318 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name  HG1* )
       ( resid   66 and name    HN )
        4.67  2.87  0.00 peak 10319 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name  HG2# )
       ( resid   66 and name    HN )
        4.43  2.63  0.00 peak 10320 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   79 and name    HN )
       ( resid   80 and name    HN )
        3.74  1.94  0.00 peak 10322 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   79 and name    HN )
       ( resid   79 and name    HA )
        3.72  1.92  0.00 peak 10324 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HA )
       ( resid   67 and name    HN )
        3.76  1.96  0.00 peak 10325 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   79 and name    HN )
       ( resid   79 and name   HB# )
        3.16  1.36  0.00 peak 10327 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HN )
       ( resid   67 and name    HB )
        3.84  2.04  0.00 peak 10328 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HN )
       ( resid   67 and name  HG1* )
        4.07  2.27  0.00 peak 10329 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HN )
       ( resid   67 and name  HG1* )
        4.03  2.23  0.00 peak 10331 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HA )
       ( resid   68 and name    HN )
        3.79  1.99  0.00 peak 10334 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name    HN )
       ( resid   68 and name   HB1 )
        3.83  2.03  0.00 peak 10335 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name    HN )
       ( resid   68 and name  HD1# )
        4.52  2.72  0.00 peak 10336 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name    HN )
       ( resid   68 and name    HG )
        4.30  2.50  0.00 peak 10337 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name  HG2# )
       ( resid   68 and name    HN )
        4.09  2.29  0.00 peak 10338 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   71 and name    HN )
       ( resid   72 and name    HN )
        4.22  2.42  0.00 peak 10339 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   72 and name    HN )
       ( resid   72 and name   HB2 )
        3.91  2.11  0.00 peak 10344 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name    HN )
       ( resid   73 and name    HA )
        4.59  2.79  0.00 peak 10346 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   72 and name   HB2 )
       ( resid   73 and name    HN )
        4.52  2.72  0.00 peak 10348 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name    HN )
       ( resid   73 and name   HB2 )
        4.16  2.36  0.00 peak 10349 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name    HN )
       ( resid   73 and name   HG1 )
        4.18  2.38  0.00 peak 10353 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name  HG2# )
       ( resid   73 and name    HN )
        4.69  2.89  0.00 peak 10354 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   76 and name    HN )
       ( resid   77 and name    HN )
        3.80  2.00  0.00 peak 10355 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   75 and name    HA )
       ( resid   76 and name    HN )
        4.36  2.56  0.00 peak 10356 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   76 and name    HN )
       ( resid   76 and name  HG1* )
        3.83  2.03  0.00 peak 10358 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   76 and name    HN )
       ( resid   76 and name  HD1# )
        3.76  1.96  0.00 peak 10360 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   77 and name    HN )
       ( resid   77 and name    HA )
        4.49  2.69  0.00 peak 10362 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   77 and name    HN )
       ( resid   77 and name   HB1 )
        3.83  2.03  0.00 peak 10365 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   78 and name    HN )
       ( resid   79 and name    HN )
        3.51  1.71  0.00 peak 10367 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   77 and name    HA )
       ( resid   78 and name    HN )
        3.51  1.71  0.00 peak 10368 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   78 and name    HN )
       ( resid   78 and name   HG2 )
        3.85  2.05  0.00 peak 10369 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   77 and name   HB2 )
       ( resid   78 and name    HN )
        3.84  2.04  0.00 peak 10371 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   77 and name   HB1 )
       ( resid   78 and name    HN )
        4.21  2.41  0.00 peak 10372 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   75 and name    HA )
       ( resid   79 and name    HN )
        4.25  2.45  0.00 peak 10374 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   78 and name   HB2 )
       ( resid   79 and name    HN )
        4.11  2.31  0.00 peak 10375 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   78 and name    HN )
       ( resid   80 and name    HN )
        4.80  3.00  0.00 peak 10377 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   80 and name    HN )
       ( resid   81 and name    HN )
        3.97  2.17  0.00 peak 10379 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HH2 )
       ( resid   80 and name    HN )
        4.72  2.92  0.00 peak 10380 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   77 and name    HA )
       ( resid   80 and name    HN )
        4.60  2.80  0.00 peak 10381 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   80 and name    HN )
       ( resid   80 and name    HA )
        4.04  2.24  0.00 peak 10382 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   80 and name    HN )
       ( resid   80 and name    HB )
        3.56  1.76  0.00 peak 10383 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   79 and name   HB# )
       ( resid   80 and name    HN )
        4.55  2.75  0.00 peak 10384 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   80 and name    HN )
       ( resid   80 and name  HG2# )
        4.09  2.29  0.00 peak 10385 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   81 and name    HN )
       ( resid   81 and name    HA )
        4.10  2.30  0.00 peak 10389 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   81 and name    HN )
       ( resid   81 and name   HG2 )
        3.79  1.99  0.00 peak 10390 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   81 and name    HN )
       ( resid   81 and name   HB1 )
        4.24  2.44  0.00 peak 10391 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   80 and name  HG2# )
       ( resid   81 and name    HN )
        4.84  3.04  0.00 peak 10393 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   81 and name    HN )
       ( resid   82 and name    HN )
        3.65  1.85  0.00 peak 10394 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   82 and name    HN )
       ( resid   82 and name    HA )
        3.89  2.09  0.00 peak 10395 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   81 and name    HA )
       ( resid   82 and name    HN )
        4.07  2.27  0.00 peak 10397 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   81 and name   HB2 )
       ( resid   82 and name    HN )
        3.65  1.85  0.00 peak 10398 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   82 and name    HN )
       ( resid   82 and name   HB2 )
        3.32  1.52  0.00 peak 10399 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   82 and name    HN )
       ( resid   82 and name  HD2# )
        3.77  1.97  0.00 peak 10400 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   83 and name    HN )
       ( resid   83 and name    HA )
        4.18  2.38  0.00 peak 10401 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   81 and name    HA )
       ( resid   83 and name    HN )
        4.65  2.85  0.00 peak 10402 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   80 and name    HA )
       ( resid   83 and name    HN )
        4.03  2.23  0.00 peak 10403 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   83 and name    HN )
       ( resid   83 and name   HB2 )
        3.09  1.29  0.00 peak 10404 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   83 and name    HN )
       ( resid   83 and name   HB1 )
        4.83  3.03  0.00 peak 10405 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   83 and name    HN )
       ( resid   83 and name  HD2# )
        3.84  2.04  0.00 peak 10407 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name   HG2 )
       ( resid   43 and name    HN )
        5.00  3.20  0.00 peak 10409 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name   HB2 )
       ( resid   43 and name    HN )
        3.79  1.99  0.00 peak 10411 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   55 and name    HN )
       ( resid   80 and name  HD1# )
        4.84  3.04  0.00 peak 10413 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name    HN )
       ( resid   83 and name  HD1# )
        4.89  3.09  0.00 peak 10414 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   58 and name    HN )
       ( resid   61 and name   HB2 )
        4.66  2.86  0.00 peak 10416 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   58 and name    HN )
       ( resid   61 and name   HB1 )
        4.85  3.05  0.00 peak 10417 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   58 and name    HN )
       ( resid   61 and name    HN )
        4.97  3.17  0.00 peak 10418 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HN )
       ( resid   67 and name    HN )
        4.73  2.93  0.00 peak 10419 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   66 and name   HA2 )
       ( resid   67 and name    HN )
        4.79  2.99  0.00 peak 10420 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   72 and name   HB1 )
       ( resid   73 and name    HN )
        4.78  2.98  0.00 peak 10422 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name  HD1# )
       ( resid   74 and name    HN )
        4.48  2.68  0.00 peak 10424 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   74 and name   HB1 )
       ( resid   75 and name    HN )
        4.06  2.26  0.00 peak 10427 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   75 and name    HN )
       ( resid   75 and name   HB2 )
        3.40  1.60  0.00 peak 10428 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name  HD1# )
       ( resid   75 and name    HN )
        4.75  2.95  0.00 peak 10429 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   24 and name  HG2# )
       ( resid   25 and name    HN )
        4.42  2.62  0.00 peak 20001 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   24 and name    HN )
       ( resid   24 and name  HG2# )
        3.77  1.97  0.00 peak 20002 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HN )
       ( resid   25 and name    HA )
        4.07  2.27  0.00 peak 20003 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HA )
       ( resid   28 and name   HE3 )
        4.22  2.42  0.00 peak 20004 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HA )
       ( resid   25 and name    HB )
        4.02  2.22  0.00 peak 20005 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HA )
       ( resid   25 and name  HG1# )
        3.40  1.60  0.00 peak 20007 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HA )
       ( resid   49 and name  HG1# )
        3.72  1.92  0.00 peak 20008 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HN )
       ( resid   25 and name    HB )
        3.80  2.00  0.00 peak 20010 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   57 and name    HN )
       ( resid   57 and name   HG2 )
        4.17  2.37  0.00 peak 20015 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name  HG1# )
       ( resid   48 and name    HN )
        4.53  2.73  0.00 peak 20018 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HB )
       ( resid   25 and name  HG1# )
        3.32  1.52  0.00 peak 20020 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name  HG1# )
       ( resid   49 and name  HG1# )
        3.46  1.66  0.00 peak 20022 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HN )
       ( resid   25 and name  HG2# )
        4.12  2.32  0.00 peak 20024 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HA )
       ( resid   25 and name  HG2# )
        3.83  2.03  0.00 peak 20026 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HB )
       ( resid   25 and name  HG2# )
        3.38  1.58  0.00 peak 20027 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name    HA )
       ( resid   31 and name    HN )
        4.39  2.59  0.00 peak 20030 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name    HN )
       ( resid   28 and name   HB2 )
        4.31  2.51  0.00 peak 20031 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name    HN )
       ( resid   28 and name   HB1 )
        4.14  2.34  0.00 peak 20032 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HB1 )
       ( resid   28 and name   HE3 )
        4.53  2.73  0.00 peak 20033 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HB2 )
       ( resid   28 and name   HE3 )
        4.39  2.59  0.00 peak 20034 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HN )
       ( resid   29 and name   HB1 )
        4.22  2.42  0.00 peak 20036 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HN )
       ( resid   29 and name   HB2 )
        4.44  2.64  0.00 peak 20037 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name   HB2 )
       ( resid   29 and name  HD1# )
        3.82  2.02  0.00 peak 20040 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name   HB1 )
       ( resid   29 and name  HD1# )
        3.80  2.00  0.00 peak 20042 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HN )
       ( resid   29 and name  HD1# )
        3.85  2.05  0.00 peak 20044 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HE3 )
       ( resid   29 and name  HD1# )
        3.73  1.93  0.00 peak 20045 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name  HD1# )
       ( resid   38 and name    HA )
        3.48  1.68  0.00 peak 20047 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HA )
       ( resid   32 and name  HG1* )
        4.10  2.30  0.00 peak 20048 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HG )
       ( resid   29 and name  HD1# )
        3.00  1.20  0.00 peak 20050 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HN )
       ( resid   29 and name  HD2# )
        4.20  2.40  0.00 peak 20052 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HE3 )
       ( resid   29 and name  HD2# )
        4.06  2.26  0.00 peak 20053 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HZ3 )
       ( resid   29 and name  HD2# )
        3.90  2.10  0.00 peak 20054 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HA )
       ( resid   29 and name  HD2# )
        3.29  1.49  0.00 peak 20055 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name  HD2# )
       ( resid   37 and name   HB1 )
        4.25  2.45  0.00 peak 20056 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HG )
       ( resid   29 and name  HD2# )
        3.30  1.50  0.00 peak 20057 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name   HB1 )
       ( resid   29 and name  HD2# )
        3.61  1.81  0.00 peak 20058 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name   HB2 )
       ( resid   29 and name  HD2# )
        3.71  1.91  0.00 peak 20059 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name  HD2# )
       ( resid   32 and name  HD1# )
        3.56  1.76  0.00 peak 20061 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   30 and name    HA )
       ( resid   30 and name   HB2 )
        3.43  1.63  0.00 peak 20062 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   78 and name    HN )
       ( resid   78 and name   HB2 )
        3.73  1.93  0.00 peak 20064 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   78 and name   HB2 )
       ( resid   79 and name    HN )
        4.19  2.39  0.00 peak 20065 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HA )
       ( resid   32 and name    HB )
        4.00  2.20  0.00 peak 20067 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HA )
       ( resid   32 and name  HG2# )
        4.23  2.43  0.00 peak 20068 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HB )
       ( resid   32 and name  HD1# )
        3.81  2.01  0.00 peak 20070 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HN )
       ( resid   32 and name  HG1* )
        4.29  2.49  0.00 peak 20071 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HN )
       ( resid   32 and name  HG1* )
        4.27  2.47  0.00 peak 20072 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name   HG1 )
       ( resid   73 and name   HD2 )
        4.14  2.34  0.00 peak 20073 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HA )
       ( resid   32 and name  HG1* )
        4.21  2.41  0.00 peak 20074 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name  HG1* )
       ( resid   32 and name  HD1# )
        3.95  2.15  0.00 peak 20078 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HN )
       ( resid   32 and name  HG2# )
        3.65  1.85  0.00 peak 20080 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HA )
       ( resid   32 and name  HG2# )
        4.47  2.67  0.00 peak 20082 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HB )
       ( resid   32 and name  HG2# )
        3.07  1.27  0.00 peak 20083 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name  HG2# )
       ( resid   32 and name  HG1* )
        3.67  1.87  0.00 peak 20084 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name  HG2# )
       ( resid   32 and name  HG1* )
        3.56  1.76  0.00 peak 20085 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name  HG2# )
       ( resid   32 and name  HD1# )
        3.12  1.32  0.00 peak 20086 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HN )
       ( resid   32 and name  HD1# )
        3.86  2.06  0.00 peak 20087 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name  HD1# )
       ( resid   76 and name  HG1* )
        3.09  1.29  0.00 peak 20089 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name  HG1* )
       ( resid   32 and name  HD1# )
        3.12  1.32  0.00 peak 20091 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   33 and name    HN )
       ( resid   33 and name   HA2 )
        3.98  2.18  0.00 peak 20094 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name   HB2 )
       ( resid   37 and name   HD* )
        4.29  2.49  0.00 peak 20095 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name   HB1 )
       ( resid   37 and name   HD* )
        4.52  2.72  0.00 peak 20096 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name   HB1 )
       ( resid   34 and name  HD1# )
        3.95  2.15  0.00 peak 20098 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name   HB1 )
       ( resid   34 and name  HD2# )
        4.52  2.72  0.00 peak 20099 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name  HD1# )
       ( resid   37 and name   HE* )
        4.20  2.40  0.00 peak 20105 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name  HD1# )
       ( resid   37 and name   HD* )
        4.51  2.71  0.00 peak 20106 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name  HD1# )
       ( resid   72 and name   HB2 )
        4.50  2.70  0.00 peak 20107 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name  HD1# )
       ( resid   72 and name   HB1 )
        4.48  2.68  0.00 peak 20108 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name  HD1# )
       ( resid   76 and name  HG1* )
        3.54  1.74  0.00 peak 20109 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name   HB2 )
       ( resid   34 and name  HD1# )
        3.60  1.80  0.00 peak 20110 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name    HG )
       ( resid   34 and name  HD1# )
        3.36  1.56  0.00 peak 20111 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name  HD1# )
       ( resid   34 and name  HD2# )
        3.26  1.46  0.00 peak 20112 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name  HD2# )
       ( resid   37 and name   HE* )
        3.70  1.90  0.00 peak 20113 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name   HB2 )
       ( resid   34 and name  HD2# )
        4.18  2.38  0.00 peak 20114 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name    HG )
       ( resid   34 and name  HD2# )
        3.45  1.65  0.00 peak 20115 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   36 and name    HN )
       ( resid   36 and name   HB2 )
        4.34  2.54  0.00 peak 20117 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HN )
       ( resid   37 and name    HA )
        4.44  2.64  0.00 peak 20118 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HA )
       ( resid   37 and name   HD* )
        3.73  1.93  0.00 peak 20119 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HA )
       ( resid   37 and name   HB2 )
        4.05  2.25  0.00 peak 20120 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HA )
       ( resid   37 and name   HB1 )
        4.25  2.45  0.00 peak 20121 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HA )
       ( resid   38 and name    HN )
        4.70  2.90  0.00 peak 20123 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name  HD2# )
       ( resid   37 and name    HA )
        5.04  3.24  0.00 peak 20125 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name  HD2# )
       ( resid   37 and name   HD* )
        4.61  2.81  0.00 peak 20128 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HN )
       ( resid   37 and name   HB2 )
        4.58  2.78  0.00 peak 20130 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name   HD* )
       ( resid   37 and name   HB2 )
        4.13  2.33  0.00 peak 20131 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HN )
       ( resid   37 and name   HB1 )
        4.39  2.59  0.00 peak 20133 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name   HD* )
       ( resid   37 and name   HB1 )
        4.09  2.29  0.00 peak 20134 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name  HD1# )
       ( resid   37 and name   HB2 )
        4.45  2.65  0.00 peak 20136 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name  HD1# )
       ( resid   37 and name   HB1 )
        4.45  2.65  0.00 peak 20139 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name   HB1 )
       ( resid   67 and name  HD1# )
        4.57  2.77  0.00 peak 20141 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name    HN )
       ( resid   73 and name    HA )
        4.04  2.24  0.00 peak 20142 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name  HD1# )
       ( resid   73 and name    HA )
        3.48  1.68  0.00 peak 20143 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   38 and name    HN )
       ( resid   38 and name   HB1 )
        4.19  2.39  0.00 peak 20144 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   38 and name    HN )
       ( resid   38 and name   HB2 )
        4.18  2.38  0.00 peak 20145 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   38 and name    HN )
       ( resid   38 and name   HG2 )
        4.94  3.14  0.00 peak 20146 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   38 and name    HN )
       ( resid   38 and name   HG1 )
        4.93  3.13  0.00 peak 20147 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name    HA )
       ( resid   42 and name    HN )
        4.42  2.62  0.00 peak 20148 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name    HA )
       ( resid   42 and name   HB2 )
        4.17  2.37  0.00 peak 20149 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name    HN )
       ( resid   39 and name   HB2 )
        4.79  2.99  0.00 peak 20150 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name    HN )
       ( resid   39 and name   HB1 )
        4.64  2.84  0.00 peak 20151 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name   HB1 )
       ( resid   40 and name    HN )
        4.47  2.67  0.00 peak 20152 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name   HB2 )
       ( resid   40 and name    HN )
        4.58  2.78  0.00 peak 20153 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name    HA )
       ( resid   39 and name   HB2 )
        4.76  2.96  0.00 peak 20154 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name    HA )
       ( resid   39 and name   HB1 )
        4.80  3.00  0.00 peak 20155 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name    HN )
       ( resid   40 and name    HA )
        3.86  2.06  0.00 peak 20157 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name    HA )
       ( resid   41 and name    HN )
        4.58  2.78  0.00 peak 20158 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name    HA )
       ( resid   40 and name   HD2 )
        4.43  2.63  0.00 peak 20159 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HN )
       ( resid   41 and name    HA )
        4.77  2.97  0.00 peak 20163 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HA )
       ( resid   44 and name    HN )
        4.47  2.67  0.00 peak 20164 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HA )
       ( resid   44 and name   HB2 )
        4.64  2.84  0.00 peak 20165 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HA )
       ( resid   41 and name    HG )
        4.08  2.28  0.00 peak 20167 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HA )
       ( resid   65 and name  HD1# )
        3.78  1.98  0.00 peak 20168 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   77 and name   HB2 )
       ( resid   78 and name    HN )
        3.91  2.11  0.00 peak 20169 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HN )
       ( resid   41 and name   HB1 )
        4.74  2.94  0.00 peak 20170 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   83 and name    HN )
       ( resid   83 and name   HB2 )
        3.90  2.10  0.00 peak 20171 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HN )
       ( resid   41 and name    HG )
        4.25  2.45  0.00 peak 20172 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HN )
       ( resid   41 and name  HD1# )
        4.16  2.36  0.00 peak 20175 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HZ3 )
       ( resid   41 and name  HD1# )
        4.03  2.23  0.00 peak 20177 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HG )
       ( resid   41 and name  HD1# )
        3.41  1.61  0.00 peak 20179 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name  HD1# )
       ( resid   67 and name  HD1# )
        3.71  1.91  0.00 peak 20181 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HZ3 )
       ( resid   41 and name  HD2# )
        4.34  2.54  0.00 peak 20184 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name  HD2# )
       ( resid   46 and name   HB2 )
        4.03  2.23  0.00 peak 20186 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HG )
       ( resid   41 and name  HD2# )
        3.43  1.63  0.00 peak 20188 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name    HN )
       ( resid   42 and name   HB2 )
        4.15  2.35  0.00 peak 20193 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name    HN )
       ( resid   42 and name   HB1 )
        4.16  2.36  0.00 peak 20194 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name    HN )
       ( resid   42 and name   HE# )
        4.22  2.42  0.00 peak 20201 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   43 and name    HN )
       ( resid   43 and name    HA )
        4.05  2.25  0.00 peak 20203 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   43 and name    HA )
       ( resid   44 and name    HN )
        4.64  2.84  0.00 peak 20204 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   43 and name    HN )
       ( resid   43 and name   HB# )
        3.06  1.26  0.00 peak 20205 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   43 and name   HB# )
       ( resid   44 and name    HN )
        4.04  2.24  0.00 peak 20207 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   43 and name    HA )
       ( resid   43 and name   HB# )
        3.22  1.42  0.00 peak 20208 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name    HN )
       ( resid   44 and name   HB1 )
        3.90  2.10  0.00 peak 20211 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name    HN )
       ( resid   44 and name   HB2 )
        4.09  2.29  0.00 peak 20212 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name    HN )
       ( resid   46 and name   HB2 )
        4.73  2.93  0.00 peak 20215 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name    HN )
       ( resid   46 and name   HB1 )
        4.60  2.80  0.00 peak 20216 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name   HD* )
       ( resid   46 and name   HB2 )
        4.44  2.64  0.00 peak 20217 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name   HD* )
       ( resid   46 and name   HB1 )
        4.45  2.65  0.00 peak 20218 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name   HB2 )
       ( resid   46 and name   HB1 )
        4.63  2.83  0.00 peak 20221 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name  HD2# )
       ( resid   46 and name   HB1 )
        4.49  2.69  0.00 peak 20224 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name   HB1 )
       ( resid   48 and name  HD21 )
        4.97  3.17  0.00 peak 20225 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name   HB2 )
       ( resid   48 and name  HD21 )
        4.78  2.98  0.00 peak 20226 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HN )
       ( resid   49 and name    HA )
        4.70  2.90  0.00 peak 20227 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HA )
       ( resid   50 and name    HN )
        4.74  2.94  0.00 peak 20228 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HA )
       ( resid   52 and name    HN )
        4.83  3.03  0.00 peak 20229 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HA )
       ( resid   49 and name    HB )
        3.73  1.93  0.00 peak 20231 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name  HG1# )
       ( resid   49 and name    HA )
        4.81  3.01  0.00 peak 20232 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HN )
       ( resid   49 and name    HB )
        4.13  2.33  0.00 peak 20235 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HB )
       ( resid   50 and name    HN )
        4.33  2.53  0.00 peak 20236 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HN )
       ( resid   49 and name  HG1# )
        3.58  1.78  0.00 peak 20240 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name    HN )
       ( resid   49 and name  HG1# )
        4.76  2.96  0.00 peak 20241 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name  HG1# )
       ( resid   50 and name    HN )
        4.26  2.46  0.00 peak 20242 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HE3 )
       ( resid   49 and name  HG1# )
        4.42  2.62  0.00 peak 20243 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HD1 )
       ( resid   49 and name  HG1# )
        5.00  3.20  0.00 peak 20244 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HA )
       ( resid   49 and name  HG1# )
        3.70  1.90  0.00 peak 20246 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HB )
       ( resid   49 and name  HG1# )
        3.17  1.37  0.00 peak 20250 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HN )
       ( resid   49 and name  HG2# )
        4.25  2.45  0.00 peak 20253 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name  HG2# )
       ( resid   50 and name    HN )
        4.56  2.76  0.00 peak 20254 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HE3 )
       ( resid   49 and name  HG2# )
        4.80  3.00  0.00 peak 20255 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HD1 )
       ( resid   49 and name  HG2# )
        4.62  2.82  0.00 peak 20256 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HA )
       ( resid   49 and name  HG2# )
        4.37  2.57  0.00 peak 20257 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HA )
       ( resid   49 and name  HG2# )
        3.72  1.92  0.00 peak 20258 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HB1 )
       ( resid   49 and name  HG2# )
        4.65  2.85  0.00 peak 20259 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HB )
       ( resid   49 and name  HG2# )
        3.21  1.41  0.00 peak 20261 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name  HG1# )
       ( resid   49 and name  HG2# )
        3.91  2.11  0.00 peak 20262 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name  HG1# )
       ( resid   49 and name  HG2# )
        3.00  1.20  0.00 peak 20263 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name    HN )
       ( resid   50 and name   HB2 )
        4.43  2.63  0.00 peak 20264 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name    HN )
       ( resid   50 and name   HB1 )
        4.43  2.63  0.00 peak 20265 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name    HA )
       ( resid   50 and name   HB2 )
        4.35  2.55  0.00 peak 20266 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name   HB2 )
       ( resid   51 and name    HN )
        4.89  3.09  0.00 peak 20270 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name   HB1 )
       ( resid   51 and name    HN )
        5.05  3.25  0.00 peak 20271 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name   HG1 )
       ( resid   50 and name  HE21 )
        4.86  3.06  0.00 peak 20274 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name   HG2 )
       ( resid   50 and name  HE21 )
        4.75  2.95  0.00 peak 20275 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name    HA )
       ( resid   54 and name    HN )
        4.78  2.98  0.00 peak 20278 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name    HA )
       ( resid   51 and name   HD* )
        4.64  2.84  0.00 peak 20279 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name    HN )
       ( resid   51 and name   HB1 )
        4.29  2.49  0.00 peak 20280 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name   HD* )
       ( resid   51 and name   HB1 )
        4.38  2.58  0.00 peak 20281 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name    HN )
       ( resid   51 and name   HB2 )
        4.11  2.31  0.00 peak 20282 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name   HD* )
       ( resid   51 and name   HB2 )
        4.26  2.46  0.00 peak 20283 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   81 and name    HN )
       ( resid   81 and name    HA )
        3.53  1.73  0.00 peak 20285 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   81 and name    HA )
       ( resid   82 and name    HN )
        4.22  2.42  0.00 peak 20286 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   81 and name    HA )
       ( resid   81 and name   HG2 )
        3.58  1.78  0.00 peak 20288 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name    HA )
       ( resid   52 and name   HB1 )
        3.21  1.41  0.00 peak 20289 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name    HN )
       ( resid   53 and name   HA2 )
        4.42  2.62  0.00 peak 20295 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name   HA2 )
       ( resid   80 and name  HG2# )
        4.48  2.68  0.00 peak 20297 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name   HA2 )
       ( resid   83 and name  HD1# )
        4.97  3.17  0.00 peak 20298 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name    HA )
       ( resid   57 and name    HN )
        3.26  1.46  0.00 peak 20299 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name    HA )
       ( resid   56 and name    HB )
        3.84  2.04  0.00 peak 20300 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name    HA )
       ( resid   56 and name  HG2# )
        3.38  1.58  0.00 peak 20301 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name    HN )
       ( resid   56 and name    HB )
        4.61  2.81  0.00 peak 20302 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name    HN )
       ( resid   56 and name  HG1# )
        4.04  2.24  0.00 peak 20304 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name    HA )
       ( resid   56 and name  HG1# )
        3.71  1.91  0.00 peak 20306 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name    HB )
       ( resid   56 and name  HG2# )
        3.31  1.51  0.00 peak 20308 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   57 and name   HB2 )
       ( resid   58 and name    HN )
        4.46  2.66  0.00 peak 20310 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   57 and name    HN )
       ( resid   57 and name   HB2 )
        4.04  2.24  0.00 peak 20311 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   57 and name   HB1 )
       ( resid   80 and name  HD1# )
        4.13  2.33  0.00 peak 20313 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   58 and name   HB1 )
       ( resid   59 and name    HN )
        4.06  2.26  0.00 peak 20314 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name    HN )
       ( resid   59 and name    HA )
        4.16  2.36  0.00 peak 20316 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name    HA )
       ( resid   59 and name   HB1 )
        3.62  1.82  0.00 peak 20317 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name    HA )
       ( resid   62 and name  HD1# )
        3.49  1.69  0.00 peak 20318 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name    HN )
       ( resid   59 and name   HB1 )
        3.96  2.16  0.00 peak 20319 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name    HA )
       ( resid   59 and name   HB2 )
        4.20  2.40  0.00 peak 20322 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name    HN )
       ( resid   60 and name   HB2 )
        3.95  2.15  0.00 peak 20323 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name    HN )
       ( resid   60 and name   HB1 )
        4.05  2.25  0.00 peak 20324 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name   HB1 )
       ( resid   61 and name    HN )
        4.70  2.90  0.00 peak 20325 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name   HB2 )
       ( resid   61 and name    HN )
        4.94  3.14  0.00 peak 20326 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   58 and name    HN )
       ( resid   61 and name   HB2 )
        4.80  3.00  0.00 peak 20327 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   58 and name    HN )
       ( resid   61 and name   HB1 )
        4.95  3.15  0.00 peak 20328 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name    HN )
       ( resid   61 and name   HB1 )
        4.16  2.36  0.00 peak 20329 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name    HN )
       ( resid   61 and name   HB2 )
        4.09  2.29  0.00 peak 20330 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HA )
       ( resid   63 and name    HN )
        4.94  3.14  0.00 peak 20331 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HA )
       ( resid   62 and name    HG )
        4.02  2.22  0.00 peak 20333 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HA )
       ( resid   65 and name  HG1* )
        4.42  2.62  0.00 peak 20334 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HA )
       ( resid   62 and name   HB1 )
        4.37  2.57  0.00 peak 20335 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HA )
       ( resid   65 and name  HD1# )
        4.05  2.25  0.00 peak 20336 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HA )
       ( resid   67 and name  HG1* )
        4.95  3.15  0.00 peak 20338 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name  HD1# )
       ( resid   77 and name    HN )
        4.67  2.87  0.00 peak 20339 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HN )
       ( resid   62 and name  HD1# )
        4.76  2.96  0.00 peak 20341 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name  HD1# )
       ( resid   73 and name   HG2 )
        3.26  1.46  0.00 peak 20344 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name  HD1# )
       ( resid   67 and name  HG1* )
        4.40  2.60  0.00 peak 20345 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HN )
       ( resid   62 and name  HD2# )
        4.03  2.23  0.00 peak 20347 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HA )
       ( resid   62 and name  HD2# )
        3.51  1.71  0.00 peak 20348 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HG )
       ( resid   62 and name  HD2# )
        3.17  1.37  0.00 peak 20351 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name  HD2# )
       ( resid   67 and name  HG1* )
        3.31  1.51  0.00 peak 20353 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name   HB2 )
       ( resid   64 and name    HN )
        4.10  2.30  0.00 peak 20354 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HN )
       ( resid   63 and name   HB2 )
        3.82  2.02  0.00 peak 20355 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name   HB1 )
       ( resid   64 and name    HN )
        4.49  2.69  0.00 peak 20356 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HN )
       ( resid   63 and name   HB1 )
        3.85  2.05  0.00 peak 20357 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name   HD2 )
       ( resid   65 and name    HB )
        4.67  2.87  0.00 peak 20362 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HN )
       ( resid   65 and name    HB )
        4.68  2.88  0.00 peak 20363 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HB )
       ( resid   65 and name  HG1* )
        4.54  2.74  0.00 peak 20364 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HB )
       ( resid   65 and name  HG1* )
        4.10  2.30  0.00 peak 20365 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HB )
       ( resid   65 and name  HD1# )
        3.80  2.00  0.00 peak 20367 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HN )
       ( resid   65 and name  HG1* )
        4.33  2.53  0.00 peak 20369 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name   HD2 )
       ( resid   65 and name  HG2# )
        3.83  2.03  0.00 peak 20375 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HN )
       ( resid   65 and name  HG2# )
        3.63  1.83  0.00 peak 20376 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HA )
       ( resid   65 and name  HG2# )
        4.55  2.75  0.00 peak 20377 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name    HA )
       ( resid   65 and name  HG2# )
        4.86  3.06  0.00 peak 20378 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name   HB2 )
       ( resid   65 and name  HG2# )
        3.90  2.10  0.00 peak 20379 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name   HB1 )
       ( resid   65 and name  HG2# )
        4.08  2.28  0.00 peak 20380 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HB )
       ( resid   65 and name  HG2# )
        3.28  1.48  0.00 peak 20381 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name  HG2# )
       ( resid   65 and name  HG1* )
        3.76  1.96  0.00 peak 20382 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HN )
       ( resid   65 and name  HD1# )
        4.61  2.81  0.00 peak 20384 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HA )
       ( resid   68 and name    HN )
        3.54  1.74  0.00 peak 20388 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HA )
       ( resid   67 and name  HG1* )
        4.37  2.57  0.00 peak 20391 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HN )
       ( resid   67 and name    HB )
        3.99  2.19  0.00 peak 20393 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HN )
       ( resid   67 and name  HG1* )
        4.05  2.25  0.00 peak 20394 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HN )
       ( resid   67 and name  HG1* )
        4.50  2.70  0.00 peak 20395 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HA )
       ( resid   67 and name  HG1* )
        4.43  2.63  0.00 peak 20396 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HB )
       ( resid   67 and name  HG1* )
        4.32  2.52  0.00 peak 20397 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HB )
       ( resid   67 and name  HG1* )
        3.91  2.11  0.00 peak 20399 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name  HG2# )
       ( resid   68 and name    HN )
        4.18  2.38  0.00 peak 20401 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name   HE* )
       ( resid   67 and name  HG2# )
        4.14  2.34  0.00 peak 20402 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HA )
       ( resid   67 and name  HG2# )
        3.52  1.72  0.00 peak 20405 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name  HG2# )
       ( resid   72 and name   HB2 )
        4.00  2.20  0.00 peak 20406 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HB )
       ( resid   67 and name  HG2# )
        3.28  1.48  0.00 peak 20409 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name  HG2# )
       ( resid   67 and name  HG1* )
        3.65  1.85  0.00 peak 20410 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HN )
       ( resid   67 and name  HD1# )
        3.97  2.17  0.00 peak 20413 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name   HE* )
       ( resid   67 and name  HD1# )
        4.94  3.14  0.00 peak 20415 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name   HD* )
       ( resid   67 and name  HD1# )
        4.44  2.64  0.00 peak 20416 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HA )
       ( resid   67 and name  HD1# )
        4.76  2.96  0.00 peak 20417 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HA )
       ( resid   67 and name  HD1# )
        4.22  2.42  0.00 peak 20418 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name    HN )
       ( resid   68 and name    HA )
        4.95  3.15  0.00 peak 20426 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name    HA )
       ( resid   68 and name    HG )
        3.72  1.92  0.00 peak 20428 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name    HN )
       ( resid   68 and name   HB1 )
        4.22  2.42  0.00 peak 20429 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name    HN )
       ( resid   68 and name   HB2 )
        4.32  2.52  0.00 peak 20430 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name    HA )
       ( resid   68 and name   HB1 )
        4.05  2.25  0.00 peak 20431 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name    HA )
       ( resid   68 and name   HB2 )
        4.24  2.44  0.00 peak 20432 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name   HB2 )
       ( resid   68 and name  HD1# )
        4.17  2.37  0.00 peak 20434 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name   HB2 )
       ( resid   68 and name    HG )
        4.29  2.49  0.00 peak 20435 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name    HN )
       ( resid   68 and name  HD2# )
        4.39  2.59  0.00 peak 20437 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name    HA )
       ( resid   68 and name  HD2# )
        3.35  1.55  0.00 peak 20438 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   66 and name   HA2 )
       ( resid   68 and name  HD2# )
        4.48  2.68  0.00 peak 20439 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name   HB1 )
       ( resid   68 and name  HD2# )
        3.05  1.25  0.00 peak 20440 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   72 and name    HN )
       ( resid   72 and name   HB2 )
        4.70  2.90  0.00 peak 20441 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   72 and name    HN )
       ( resid   72 and name   HB1 )
        4.88  3.08  0.00 peak 20442 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name   HE* )
       ( resid   72 and name   HB1 )
        4.75  2.95  0.00 peak 20443 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name  HD2# )
       ( resid   72 and name   HB1 )
        4.73  2.93  0.00 peak 20445 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name  HD2# )
       ( resid   72 and name   HB2 )
        4.83  3.03  0.00 peak 20446 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name    HA )
       ( resid   76 and name    HN )
        4.04  2.24  0.00 peak 20447 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   80 and name    HN )
       ( resid   80 and name  HG1* )
        4.10  2.30  0.00 peak 20448 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HH2 )
       ( resid   80 and name  HG1* )
        4.09  2.29  0.00 peak 20449 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   80 and name  HG2# )
       ( resid   80 and name  HG1* )
        3.30  1.50  0.00 peak 20450 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name   HB2 )
       ( resid   74 and name    HN )
        4.68  2.88  0.00 peak 20451 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   75 and name    HN )
       ( resid   75 and name    HA )
        4.01  2.21  0.00 peak 20452 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   76 and name    HB )
       ( resid   77 and name    HN )
        4.20  2.40  0.00 peak 20454 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   76 and name    HN )
       ( resid   76 and name    HB )
        3.76  1.96  0.00 peak 20455 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name    HA )
       ( resid   76 and name    HB )
        4.66  2.86  0.00 peak 20456 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   76 and name    HB )
       ( resid   76 and name  HD1# )
        3.56  1.76  0.00 peak 20459 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   76 and name    HN )
       ( resid   76 and name  HG1* )
        4.08  2.28  0.00 peak 20460 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name  HD1# )
       ( resid   76 and name  HG1* )
        4.46  2.66  0.00 peak 20463 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   76 and name  HG2# )
       ( resid   77 and name    HN )
        4.17  2.37  0.00 peak 20464 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HH2 )
       ( resid   76 and name  HG2# )
        3.42  1.62  0.00 peak 20466 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   76 and name    HB )
       ( resid   76 and name  HG2# )
        3.08  1.28  0.00 peak 20469 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   76 and name  HD1# )
       ( resid   77 and name    HN )
        4.99  3.19  0.00 peak 20470 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   76 and name    HN )
       ( resid   76 and name  HD1# )
        3.80  2.00  0.00 peak 20471 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name   HE* )
       ( resid   76 and name  HD1# )
        4.45  2.65  0.00 peak 20473 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name   HD* )
       ( resid   76 and name  HD1# )
        4.18  2.38  0.00 peak 20474 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HA )
       ( resid   76 and name  HD1# )
        3.87  2.07  0.00 peak 20476 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name   HB1 )
       ( resid   76 and name  HD1# )
        4.60  2.80  0.00 peak 20477 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   76 and name  HG1* )
       ( resid   76 and name  HD1# )
        2.84  1.04  0.00 peak 20478 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   76 and name  HG2# )
       ( resid   76 and name  HD1# )
        3.00  1.20  0.00 peak 20479 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   77 and name    HN )
       ( resid   77 and name   HB1 )
        3.84  2.04  0.00 peak 20481 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   74 and name    HA )
       ( resid   77 and name   HB1 )
        3.88  2.08  0.00 peak 20482 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   79 and name    HN )
       ( resid   79 and name    HA )
        4.02  2.22  0.00 peak 20490 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   79 and name    HA )
       ( resid   82 and name    HN )
        4.94  3.14  0.00 peak 20491 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   79 and name    HA )
       ( resid   79 and name   HB# )
        3.39  1.59  0.00 peak 20492 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HE1 )
       ( resid   79 and name   HB# )
        4.28  2.48  0.00 peak 20494 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   79 and name   HB# )
       ( resid   80 and name    HN )
        4.28  2.48  0.00 peak 20495 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   79 and name    HN )
       ( resid   79 and name   HB# )
        3.59  1.79  0.00 peak 20496 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HH2 )
       ( resid   79 and name   HB# )
        3.71  1.91  0.00 peak 20497 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   76 and name  HG2# )
       ( resid   79 and name   HB# )
        4.26  2.46  0.00 peak 20500 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   80 and name    HN )
       ( resid   80 and name    HA )
        4.03  2.23  0.00 peak 20503 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   80 and name    HA )
       ( resid   81 and name    HN )
        4.69  2.89  0.00 peak 20504 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HH2 )
       ( resid   80 and name    HA )
        4.16  2.36  0.00 peak 20506 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   80 and name    HA )
       ( resid   83 and name   HB2 )
        3.56  1.76  0.00 peak 20508 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   80 and name    HA )
       ( resid   80 and name  HG2# )
        3.38  1.58  0.00 peak 20509 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   80 and name    HA )
       ( resid   83 and name  HD1# )
        3.55  1.75  0.00 peak 20510 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   80 and name    HN )
       ( resid   80 and name    HB )
        3.70  1.90  0.00 peak 20511 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   80 and name    HB )
       ( resid   81 and name    HN )
        4.36  2.56  0.00 peak 20512 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   80 and name    HB )
       ( resid   80 and name  HG2# )
        3.40  1.60  0.00 peak 20514 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   80 and name    HN )
       ( resid   80 and name  HG2# )
        4.00  2.20  0.00 peak 20515 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   77 and name    HA )
       ( resid   80 and name  HD1# )
        4.35  2.55  0.00 peak 20521 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   82 and name    HN )
       ( resid   82 and name    HA )
        4.24  2.44  0.00 peak 20522 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   82 and name    HN )
       ( resid   82 and name  HD2# )
        4.14  2.34  0.00 peak 20527 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   82 and name    HA )
       ( resid   82 and name  HD2# )
        3.61  1.81  0.00 peak 20528 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   82 and name   HB2 )
       ( resid   82 and name  HD2# )
        2.90  1.10  0.00 peak 20529 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   83 and name    HN )
       ( resid   83 and name    HA )
        4.32  2.52  0.00 peak 20530 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   83 and name    HA )
       ( resid   83 and name   HB2 )
        4.21  2.41  0.00 peak 20533 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   83 and name    HA )
       ( resid   83 and name   HB1 )
        4.47  2.67  0.00 peak 20534 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HE1 )
       ( resid   83 and name  HD1# )
        5.01  3.21  0.00 peak 20536 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   83 and name   HB2 )
       ( resid   83 and name  HD1# )
        3.00  1.20  0.00 peak 20541 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   83 and name   HB1 )
       ( resid   83 and name  HD1# )
        3.79  1.99  0.00 peak 20542 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HE1 )
       ( resid   83 and name  HD2# )
        3.82  2.02  0.00 peak 20544 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HH2 )
       ( resid   83 and name  HD2# )
        4.66  2.86  0.00 peak 20547 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   83 and name   HB1 )
       ( resid   83 and name  HD2# )
        3.72  1.92  0.00 peak 20552 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name  HG2# )
       ( resid   58 and name    HN )
        4.96  3.16  0.00 peak 20553 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name    HB )
       ( resid   56 and name  HG1# )
        3.14  1.34  0.00 peak 20557 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name    HN )
       ( resid   40 and name   HB2 )
        4.92  3.12  0.00 peak 20562 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name   HB2 )
       ( resid   41 and name    HN )
        4.64  2.84  0.00 peak 20563 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name   HB2 )
       ( resid   67 and name  HD1# )
        5.02  3.22  0.00 peak 20566 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name   HD* )
       ( resid   52 and name   HE# )
        4.70  2.90  0.00 peak 20569 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HH2 )
       ( resid   52 and name   HE# )
        4.30  2.50  0.00 peak 20570 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name   HE* )
       ( resid   52 and name   HE# )
        4.87  3.07  0.00 peak 20571 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name   HB2 )
       ( resid   52 and name   HE# )
        4.38  2.58  0.00 peak 20575 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name    HN )
       ( resid   60 and name   HG1 )
        4.66  2.86  0.00 peak 20578 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name   HG1 )
       ( resid   61 and name    HN )
        5.03  3.23  0.00 peak 20579 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name    HA )
       ( resid   60 and name   HG1 )
        4.40  2.60  0.00 peak 20581 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name   HB1 )
       ( resid   60 and name   HG1 )
        3.28  1.48  0.00 peak 20582 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name    HN )
       ( resid   34 and name   HB2 )
        5.25  3.45  0.00 peak 20594 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name    HN )
       ( resid   34 and name   HB1 )
        5.46  3.66  0.00 peak 20595 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HG )
       ( resid   64 and name    HN )
        5.31  3.51  0.00 peak 20596 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HN )
       ( resid   63 and name    HG )
        4.79  2.99  0.00 peak 20597 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HA )
       ( resid   63 and name    HG )
        4.68  2.88  0.00 peak 20598 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name   HB2 )
       ( resid   37 and name   HE* )
        4.99  3.19  0.00 peak 20600 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name   HB1 )
       ( resid   37 and name   HE* )
        5.33  3.53  0.00 peak 20601 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name  HD1# )
       ( resid   76 and name  HG2# )
        4.26  2.46  0.00 peak 20602 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name  HD1# )
       ( resid   33 and name    HN )
        5.04  3.24  0.00 peak 20607 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HE1 )
       ( resid   49 and name  HG2# )
        5.20  3.40  0.00 peak 20609 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   57 and name   HG2 )
       ( resid   80 and name  HD1# )
        4.90  3.10  0.00 peak 20617 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name    HN )
       ( resid   60 and name   HG2 )
        5.23  3.43  0.00 peak 20620 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name   HG2 )
       ( resid   61 and name    HN )
        5.01  3.21  0.00 peak 20622 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name    HN )
       ( resid   60 and name    HA )
        3.76  1.96  0.00 peak 20624 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name    HA )
       ( resid   63 and name    HN )
        4.22  2.42  0.00 peak 20625 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name    HA )
       ( resid   61 and name    HN )
        4.54  2.74  0.00 peak 20626 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name    HN )
       ( resid   52 and name   HB1 )
        4.42  2.62  0.00 peak 20634 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name    HN )
       ( resid   52 and name   HB2 )
        4.75  2.95  0.00 peak 20635 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name    HA )
       ( resid   52 and name   HB2 )
        5.28  3.48  0.00 peak 20637 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HA )
       ( resid   52 and name   HB1 )
        5.02  3.22  0.00 peak 20638 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HA )
       ( resid   52 and name   HB2 )
        5.15  3.35  0.00 peak 20639 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name   HB2 )
       ( resid   83 and name  HD1# )
        4.64  2.84  0.00 peak 20642 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name   HB1 )
       ( resid   83 and name  HD1# )
        4.76  2.96  0.00 peak 20643 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   74 and name    HA )
       ( resid   77 and name    HN )
        5.05  3.25  0.00 peak 20644 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   75 and name    HA )
       ( resid   75 and name   HB2 )
        3.80  2.00  0.00 peak 20645 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   54 and name   HB1 )
       ( resid   55 and name    HN )
        4.36  2.56  0.00 peak 20646 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   26 and name    HN )
       ( resid   26 and name   HA2 )
        4.93  3.13  0.00 peak 20649 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   47 and name    HN )
       ( resid   47 and name   HB2 )
        4.83  3.03  0.00 peak 20655 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name   HB1 )
       ( resid   51 and name    HN )
        4.51  2.71  0.00 peak 20656 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   23 and name    HA )
       ( resid   24 and name    HN )
        4.60  2.80  0.00 peak 20658 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name    HA )
       ( resid   63 and name   HB2 )
        4.57  2.77  0.00 peak 20663 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HN )
       ( resid   63 and name    HA )
        3.75  1.95  0.00 peak 20664 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   64 and name   HB1 )
       ( resid   65 and name    HN )
        4.60  2.80  0.00 peak 20665 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HA )
       ( resid   65 and name    HB )
        4.54  2.74  0.00 peak 20666 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   26 and name     O )
       ( resid   30 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   26 and name     O )
       ( resid   30 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name     O )
       ( resid   31 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name     O )
       ( resid   31 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name     O )
       ( resid   32 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name     O )
       ( resid   32 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name     O )
       ( resid   41 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name     O )
       ( resid   41 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   38 and name     O )
       ( resid   42 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   38 and name     O )
       ( resid   42 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name     O )
       ( resid   43 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name     O )
       ( resid   43 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name     O )
       ( resid   44 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name     O )
       ( resid   44 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name     O )
       ( resid   45 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name     O )
       ( resid   45 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name     O )
       ( resid   53 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name     O )
       ( resid   53 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name     O )
       ( resid   54 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name     O )
       ( resid   54 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name     O )
       ( resid   63 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name     O )
       ( resid   63 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name     O )
       ( resid   64 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name     O )
       ( resid   64 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name     O )
       ( resid   65 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name     O )
       ( resid   65 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   71 and name     O )
       ( resid   75 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   71 and name     O )
       ( resid   75 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   72 and name     O )
       ( resid   76 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   72 and name     O )
       ( resid   76 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name     O )
       ( resid   77 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name     O )
       ( resid   77 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   74 and name     O )
       ( resid   78 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   74 and name     O )
       ( resid   78 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   75 and name     O )
       ( resid   79 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   75 and name     O )
       ( resid   79 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   76 and name     O )
       ( resid   80 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   76 and name     O )
       ( resid   80 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   77 and name     O )
       ( resid   81 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   77 and name     O )
       ( resid   81 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   78 and name     O )
       ( resid   82 and name    HN )
        2.00  0.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   78 and name     O )
       ( resid   82 and name     N )
        3.00  1.20  0.00 peak    0 volume 0.00 ppm1 0.000 ppm2 0.000


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   GLN 814           HA       GLN 814 -11.574 -10.117   0.747
    2    HB2  GLN 814           HB2      GLN 814 -12.389  -8.111   1.981
    3    HB3  GLN 814           HB1      GLN 814 -12.095  -9.472   3.059
    4    HG2  GLN 814           HG2      GLN 814  -9.760  -7.690   2.622
    5    HG3  GLN 814           HG1      GLN 814 -11.103  -6.974   3.500
    6   HE21  GLN 814          HE21      GLN 814 -11.054  -7.355   5.697
    7   HE22  GLN 814          HE22      GLN 814 -10.292  -8.674   6.440
    8    H    THR 815           HN       THR 815 -11.973  -7.431   0.308
    9    HA   THR 815           HA       THR 815 -10.015  -6.882  -1.724
   10    HB   THR 815           HB       THR 815 -11.722  -4.668  -1.497
   11   HG21  THR 815          HG21      THR 815 -10.959  -5.952  -3.540
   12   HG22  THR 815          HG22      THR 815 -12.663  -5.506  -3.549
   13   HG23  THR 815          HG23      THR 815 -12.187  -7.157  -3.160
   14    H    VAL 816           HN       VAL 816  -9.072  -4.637  -1.887
   15    HA   VAL 816           HA       VAL 816  -7.435  -4.158   0.345
   16    HB   VAL 816           HB       VAL 816  -7.985  -2.035  -1.709
   17   HG11  VAL 816          HG11      VAL 816  -6.031  -2.500   0.318
   18   HG12  VAL 816          HG12      VAL 816  -6.101  -1.174  -0.844
   19   HG13  VAL 816          HG13      VAL 816  -5.231  -2.653  -1.246
   20   HG21  VAL 816          HG21      VAL 816  -6.943  -4.793  -2.151
   21   HG22  VAL 816          HG22      VAL 816  -6.015  -3.489  -2.887
   22   HG23  VAL 816          HG23      VAL 816  -7.717  -3.687  -3.285
   23    H    GLY 817           HN       GLY 817  -7.972  -3.308   2.212
   24    HA2  GLY 817           HA2      GLY 817  -9.122  -0.803   2.649
   25    HA3  GLY 817           HA1      GLY 817 -10.415  -1.994   2.769
   26    H    GLN 818           HN       GLN 818 -10.041  -3.836   4.244
   27    HA   GLN 818           HA       GLN 818  -9.485  -3.068   6.843
   28    HB2  GLN 818           HB2      GLN 818  -9.779  -5.661   5.437
   29    HB3  GLN 818           HB1      GLN 818  -8.920  -5.717   6.973
   30    HG2  GLN 818           HG2      GLN 818 -11.133  -4.049   7.448
   31    HG3  GLN 818           HG1      GLN 818 -11.762  -5.375   6.478
   32   HE21  GLN 818          HE21      GLN 818 -11.722  -4.637   9.570
   33   HE22  GLN 818          HE22      GLN 818 -11.351  -6.135  10.277
   34    H    TRP 819           HN       TRP 819  -7.357  -4.346   4.398
   35    HA   TRP 819           HA       TRP 819  -5.076  -4.887   5.914
   36    HB2  TRP 819           HB2      TRP 819  -5.299  -5.485   3.545
   37    HB3  TRP 819           HB1      TRP 819  -5.312  -3.784   3.100
   38    HD1  TRP 819           HD1      TRP 819  -2.955  -5.943   5.308
   39    H    LEU 820           HN       LEU 820  -6.064  -1.898   4.273
   40    HA   LEU 820           HA       LEU 820  -3.929  -0.289   5.249
   41    HB2  LEU 820           HB2      LEU 820  -6.667   0.608   4.328
   42    HB3  LEU 820           HB1      LEU 820  -5.203   1.589   4.402
   43    HG   LEU 820           HG       LEU 820  -5.397  -0.934   2.727
   44   HD11  LEU 820          HD11      LEU 820  -6.942   0.348   1.595
   45   HD12  LEU 820          HD12      LEU 820  -5.457   0.953   0.860
   46   HD13  LEU 820          HD13      LEU 820  -6.243   1.872   2.143
   47   HD21  LEU 820          HD21      LEU 820  -3.123  -0.348   3.118
   48   HD22  LEU 820          HD22      LEU 820  -3.455   1.375   2.949
   49   HD23  LEU 820          HD23      LEU 820  -3.492   0.327   1.532
   50    H    GLU 821           HN       GLU 821  -7.238  -0.900   6.321
   51    HA   GLU 821           HA       GLU 821  -7.205   0.945   8.479
   52    H    SER 822           HN       SER 822  -6.303  -2.444   8.163
   53    HA   SER 822           HA       SER 822  -5.845  -3.070  10.847
   54    HB2  SER 822           HB2      SER 822  -4.286  -4.015   8.427
   55    HB3  SER 822           HB1      SER 822  -4.279  -4.774  10.012
   56    HG   SER 822           HG       SER 822  -6.666  -4.281   8.538
   57    H    ILE 823           HN       ILE 823  -3.595  -1.736   8.427
   58    HA   ILE 823           HA       ILE 823  -1.564  -1.242  10.420
   59    HB   ILE 823           HB       ILE 823  -0.383  -0.058   8.597
   60   HG12  ILE 823          HG11      ILE 823  -2.913  -0.694   7.039
   61   HG21  ILE 823          HG21      ILE 823   0.304  -2.037   7.720
   62   HG22  ILE 823          HG22      ILE 823  -1.313  -2.465   7.163
   63   HG23  ILE 823          HG23      ILE 823  -0.851  -2.757   8.839
   64   HD11  ILE 823          HD11      ILE 823  -0.135   0.060   6.197
   65   HD12  ILE 823          HD12      ILE 823  -1.507   0.663   5.267
   66   HD13  ILE 823          HD13      ILE 823  -1.263  -1.073   5.453
   67    H    GLY 824           HN       GLY 824  -4.476   0.086   9.968
   68    HA2  GLY 824           HA2      GLY 824  -5.487   2.009  10.676
   69    HA3  GLY 824           HA1      GLY 824  -4.030   2.311  11.613
   70    H    LEU 825           HN       LEU 825  -4.429   2.077   8.079
   71    HA   LEU 825           HA       LEU 825  -3.691   4.936   7.895
   72    HB2  LEU 825           HB2      LEU 825  -2.522   2.655   6.294
   73    HB3  LEU 825           HB1      LEU 825  -2.302   4.358   5.904
   74    HG   LEU 825           HG       LEU 825  -1.541   3.113   8.563
   75   HD11  LEU 825          HD11      LEU 825   0.810   3.609   7.661
   76   HD12  LEU 825          HD12      LEU 825   0.056   3.712   6.072
   77   HD13  LEU 825          HD13      LEU 825  -0.019   2.208   6.990
   78   HD21  LEU 825          HD21      LEU 825  -1.347   5.870   7.358
   79   HD22  LEU 825          HD22      LEU 825  -0.160   5.350   8.549
   80   HD23  LEU 825          HD23      LEU 825  -1.868   5.405   8.977
   81    HA   PRO 826           HA       PRO 826  -7.514   3.799   5.345
   82    HB2  PRO 826           HB2      PRO 826  -8.506   6.255   6.675
   83    HB3  PRO 826           HB1      PRO 826  -9.300   4.685   6.457
   84    HG2  PRO 826           HG2      PRO 826  -8.391   5.477   8.837
   85    HG3  PRO 826           HG1      PRO 826  -8.340   3.779   8.333
   86    HD2  PRO 826           HD2      PRO 826  -6.100   5.762   8.473
   87    HD3  PRO 826           HD1      PRO 826  -6.097   4.014   8.800
   88    H    GLN 827           HN       GLN 827  -8.534   5.294   3.719
   89    HA   GLN 827           HA       GLN 827  -8.536   6.991   2.169
   90    HB2  GLN 827           HB2      GLN 827  -6.214   8.252   3.656
   91    HB3  GLN 827           HB1      GLN 827  -7.246   9.002   2.447
   92    HG2  GLN 827           HG2      GLN 827  -9.185   8.831   3.894
   93    HG3  GLN 827           HG1      GLN 827  -8.266   7.929   5.094
   94   HE21  GLN 827          HE21      GLN 827  -8.593   9.597   6.727
   95   HE22  GLN 827          HE22      GLN 827  -7.791  11.090   6.633
   96    H    TYR 828           HN       TYR 828  -6.327   4.699   2.635
   97    HA   TYR 828           HA       TYR 828  -4.696   5.497   0.315
   98    HB2  TYR 828           HB2      TYR 828  -4.236   3.487   2.516
   99    HB3  TYR 828           HB1      TYR 828  -3.310   3.451   1.020
  100    HH   TYR 828           HH       TYR 828  -0.645   8.940   3.469
  101    H    GLU 829           HN       GLU 829  -7.419   3.821   1.047
  102    HA   GLU 829           HA       GLU 829  -7.082   1.553  -0.668
  103    H    ASN 830           HN       ASN 830  -8.831   4.630  -1.002
  104    HA   ASN 830           HA       ASN 830  -9.491   4.406  -3.724
  105    HB2  ASN 830           HB2      ASN 830  -8.872   6.824  -2.013
  106    HB3  ASN 830           HB1      ASN 830  -9.427   6.937  -3.679
  107   HD21  ASN 830          HD21      ASN 830 -10.374   5.632  -0.483
  108   HD22  ASN 830          HD22      ASN 830 -12.046   5.684  -0.796
  109    H    HIS 831           HN       HIS 831  -6.619   5.566  -2.067
  110    HA   HIS 831           HA       HIS 831  -5.164   6.522  -4.250
  111    HB2  HIS 831           HB2      HIS 831  -4.414   5.386  -1.579
  112    HB3  HIS 831           HB1      HIS 831  -3.153   5.662  -2.774
  113    H    LEU 832           HN       LEU 832  -5.094   3.260  -2.777
  114    HA   LEU 832           HA       LEU 832  -3.396   2.071  -4.648
  115    HB2  LEU 832           HB2      LEU 832  -5.327   1.154  -2.619
  116    HB3  LEU 832           HB1      LEU 832  -5.104   0.041  -3.964
  117    HG   LEU 832           HG       LEU 832  -2.535   0.502  -3.570
  118   HD11  LEU 832          HD11      LEU 832  -1.946   1.056  -1.304
  119   HD12  LEU 832          HD12      LEU 832  -3.635   1.042  -0.801
  120   HD13  LEU 832          HD13      LEU 832  -3.046   2.310  -1.873
  121   HD21  LEU 832          HD21      LEU 832  -4.052  -1.607  -3.057
  122   HD22  LEU 832          HD22      LEU 832  -3.810  -1.110  -1.382
  123   HD23  LEU 832          HD23      LEU 832  -2.423  -1.505  -2.392
  124    H    MET 833           HN       MET 833  -6.942   2.227  -4.573
  125    HA   MET 833           HA       MET 833  -7.458   0.926  -6.998
  126    HB2  MET 833           HB2      MET 833  -8.984   3.221  -5.741
  127    HB3  MET 833           HB1      MET 833  -9.593   2.153  -7.003
  128    HG2  MET 833           HG2      MET 833  -8.712   1.272  -4.237
  129    HG3  MET 833           HG1      MET 833 -10.377   1.430  -4.781
  130    HE1  MET 833           HE1      MET 833  -7.839  -2.143  -4.918
  131    HE2  MET 833           HE2      MET 833  -8.655  -1.271  -3.626
  132    HE3  MET 833           HE3      MET 833  -7.303  -0.518  -4.465
  133    H    ALA 834           HN       ALA 834  -6.922   4.372  -6.335
  134    HA   ALA 834           HA       ALA 834  -7.220   5.361  -8.929
  135    HB1  ALA 834           HB1      ALA 834  -5.523   7.137  -8.108
  136    HB2  ALA 834           HB2      ALA 834  -5.598   6.282  -6.569
  137    HB3  ALA 834           HB3      ALA 834  -7.058   6.992  -7.252
  138    H    ASN 835           HN       ASN 835  -4.526   3.772  -7.378
  139    HA   ASN 835           HA       ASN 835  -2.779   4.179  -9.683
  140    HB2  ASN 835           HB2      ASN 835  -2.063   4.134  -7.172
  141    HB3  ASN 835           HB1      ASN 835  -2.129   2.385  -7.366
  142   HD21  ASN 835          HD21      ASN 835  -1.158   2.143 -10.037
  143   HD22  ASN 835          HD22      ASN 835   0.454   2.678 -10.079
  144    H    GLY 836           HN       GLY 836  -5.343   2.328  -9.222
  145    HA2  GLY 836           HA2      GLY 836  -6.125   0.405 -10.200
  146    HA3  GLY 836           HA1      GLY 836  -4.675   0.407 -11.203
  147    H    PHE 837           HN       PHE 837  -4.358   0.509  -7.764
  148    HA   PHE 837           HA       PHE 837  -3.062  -2.100  -7.805
  149    HB2  PHE 837           HB2      PHE 837  -2.992   0.284  -6.056
  150    HB3  PHE 837           HB1      PHE 837  -2.879  -1.261  -5.220
  151    HZ   PHE 837           HZ       PHE 837   2.432  -1.197  -7.629
  152    H    ASP 838           HN       ASP 838  -3.977  -3.889  -7.080
  153    HA   ASP 838           HA       ASP 838  -6.147  -3.753  -5.129
  154    H    ASN 839           HN       ASN 839  -6.744  -6.005  -4.433
  155    HA   ASN 839           HA       ASN 839  -6.075  -7.937  -3.382
  156    HB2  ASN 839           HB2      ASN 839  -5.894  -8.573  -5.853
  157    HB3  ASN 839           HB1      ASN 839  -4.155  -8.353  -5.665
  158   HD21  ASN 839          HD21      ASN 839  -6.733 -10.570  -5.184
  159   HD22  ASN 839          HD22      ASN 839  -5.871 -11.715  -4.275
  160    H    VAL 840           HN       VAL 840  -5.107  -6.507  -1.778
  161    HA   VAL 840           HA       VAL 840  -2.552  -5.551  -1.687
  162    HB   VAL 840           HB       VAL 840  -2.666  -5.797   0.771
  163   HG11  VAL 840          HG11      VAL 840  -5.266  -4.992  -0.569
  164   HG12  VAL 840          HG12      VAL 840  -3.864  -3.956  -0.297
  165   HG13  VAL 840          HG13      VAL 840  -4.796  -4.557   1.073
  166   HG21  VAL 840          HG21      VAL 840  -4.615  -6.909   1.786
  167   HG22  VAL 840          HG22      VAL 840  -3.707  -8.069   0.821
  168   HG23  VAL 840          HG23      VAL 840  -5.203  -7.373   0.193
  169    H    GLN 841           HN       GLN 841  -3.605  -8.865  -1.141
  170    HA   GLN 841           HA       GLN 841  -1.179  -9.930  -0.230
  171    HB2  GLN 841           HB2      GLN 841  -3.214 -11.226  -0.106
  172    HB3  GLN 841           HB1      GLN 841  -3.373 -11.234  -1.861
  173    HG2  GLN 841           HG2      GLN 841  -2.421 -13.353  -1.159
  174    HG3  GLN 841           HG1      GLN 841  -1.174 -12.437  -1.996
  175   HE21  GLN 841          HE21      GLN 841   0.776 -12.181  -0.871
  176   HE22  GLN 841          HE22      GLN 841   0.957 -12.425   0.801
  177    H    PHE 842           HN       PHE 842  -2.511  -9.995  -3.544
  178    HA   PHE 842           HA       PHE 842  -0.276 -11.018  -4.832
  179    HB2  PHE 842           HB2      PHE 842  -2.651 -10.280  -5.759
  180    HB3  PHE 842           HB1      PHE 842  -1.785  -8.797  -6.157
  181    HZ   PHE 842           HZ       PHE 842   0.460 -12.268 -10.280
  182    H    MET 843           HN       MET 843  -1.083  -7.651  -4.095
  183    HA   MET 843           HA       MET 843   1.178  -6.423  -5.178
  184    HB2  MET 843           HB2      MET 843  -0.502  -5.715  -2.766
  185    HB3  MET 843           HB1      MET 843   0.794  -4.685  -3.365
  186    HG2  MET 843           HG2      MET 843  -0.318  -4.583  -5.577
  187    HG3  MET 843           HG1      MET 843  -1.620  -5.597  -4.958
  188    HE1  MET 843           HE1      MET 843  -0.488  -1.334  -3.861
  189    HE2  MET 843           HE2      MET 843   0.522  -2.628  -4.490
  190    HE3  MET 843           HE3      MET 843   0.158  -2.567  -2.768
  191    H    GLY 844           HN       GLY 844   0.654  -7.466  -1.815
  192    HA2  GLY 844           HA2      GLY 844   3.285  -6.966  -0.954
  193    HA3  GLY 844           HA1      GLY 844   2.137  -8.026  -0.137
  194    H    SER 845           HN       SER 845   2.085  -9.395  -2.951
  195    HA   SER 845           HA       SER 845   4.433 -11.104  -2.419
  196    HB2  SER 845           HB2      SER 845   2.162 -11.988  -4.147
  197    HB3  SER 845           HB1      SER 845   3.237 -12.931  -3.126
  198    HG   SER 845           HG       SER 845   1.285 -11.068  -2.176
  199    H    ASN 846           HN       ASN 846   3.526  -8.628  -4.332
  200    HA   ASN 846           HA       ASN 846   5.112  -9.644  -6.619
  201    HB2  ASN 846           HB2      ASN 846   2.771  -9.685  -7.260
  202    HB3  ASN 846           HB1      ASN 846   2.581  -8.005  -6.767
  203   HD21  ASN 846          HD21      ASN 846   2.797  -6.541  -8.447
  204   HD22  ASN 846          HD22      ASN 846   3.674  -6.811  -9.873
  205    H    VAL 847           HN       VAL 847   3.740  -6.639  -5.252
  206    HA   VAL 847           HA       VAL 847   6.127  -5.230  -6.253
  207    HB   VAL 847           HB       VAL 847   4.284  -4.191  -7.227
  208   HG11  VAL 847          HG11      VAL 847   2.282  -3.520  -5.713
  209   HG12  VAL 847          HG12      VAL 847   2.915  -4.731  -4.602
  210   HG13  VAL 847          HG13      VAL 847   2.423  -5.197  -6.231
  211   HG21  VAL 847          HG21      VAL 847   4.693  -2.679  -4.617
  212   HG22  VAL 847          HG22      VAL 847   4.047  -2.014  -6.110
  213   HG23  VAL 847          HG23      VAL 847   5.725  -2.544  -6.043
  214    H    MET 848           HN       MET 848   7.609  -4.711  -4.854
  215    HA   MET 848           HA       MET 848   6.844  -3.757  -2.193
  216    HB2  MET 848           HB2      MET 848   9.235  -5.565  -2.430
  217    HB3  MET 848           HB1      MET 848   8.269  -5.179  -1.008
  218    HG2  MET 848           HG2      MET 848   6.380  -6.484  -1.928
  219    HG3  MET 848           HG1      MET 848   7.341  -6.869  -3.356
  220    HE1  MET 848           HE1      MET 848   6.324  -8.951  -2.734
  221    HE2  MET 848           HE2      MET 848   6.908 -10.114  -1.549
  222    HE3  MET 848           HE3      MET 848   7.841  -9.824  -3.013
  223    H    GLU 849           HN       GLU 849   7.436  -1.682  -2.570
  224    HA   GLU 849           HA       GLU 849  10.228  -1.017  -2.742
  225    H    ASP 850           HN       ASP 850  10.604   1.221  -2.465
  226    HA   ASP 850           HA       ASP 850   8.608   2.583  -0.916
  227    H    GLN 851           HN       GLN 851  10.102   3.125  -4.098
  228    HA   GLN 851           HA       GLN 851   8.801   5.436  -4.851
  229    HB2  GLN 851           HB2      GLN 851   9.030   4.566  -7.211
  230    HB3  GLN 851           HB1      GLN 851  10.520   4.601  -6.278
  231    HG2  GLN 851           HG2      GLN 851  10.765   2.358  -6.432
  232    HG3  GLN 851           HG1      GLN 851   9.108   2.069  -5.924
  233   HE21  GLN 851          HE21      GLN 851   7.798   1.146  -7.520
  234   HE22  GLN 851          HE22      GLN 851   8.091   1.268  -9.186
  235    H    ASP 852           HN       ASP 852   7.624   2.120  -4.961
  236    HA   ASP 852           HA       ASP 852   5.276   2.610  -6.418
  237    H    LEU 853           HN       LEU 853   5.978   2.792  -2.975
  238    HA   LEU 853           HA       LEU 853   3.361   3.362  -2.086
  239    HB2  LEU 853           HB2      LEU 853   5.912   4.528  -0.957
  240    HB3  LEU 853           HB1      LEU 853   4.394   4.249  -0.106
  241    HG   LEU 853           HG       LEU 853   6.066   2.038  -1.338
  242   HD11  LEU 853          HD11      LEU 853   6.810   1.542   0.916
  243   HD12  LEU 853          HD12      LEU 853   5.833   2.862   1.553
  244   HD13  LEU 853          HD13      LEU 853   7.222   3.213   0.526
  245   HD21  LEU 853          HD21      LEU 853   3.826   1.283  -1.127
  246   HD22  LEU 853          HD22      LEU 853   3.590   2.148   0.393
  247   HD23  LEU 853          HD23      LEU 853   4.613   0.713   0.343
  248    H    LEU 854           HN       LEU 854   5.975   5.348  -3.338
  249    HA   LEU 854           HA       LEU 854   4.626   7.844  -3.116
  250    HB2  LEU 854           HB2      LEU 854   7.179   7.014  -3.911
  251    HB3  LEU 854           HB1      LEU 854   6.468   7.684  -5.375
  252    HG   LEU 854           HG       LEU 854   7.626   9.438  -4.097
  253   HD11  LEU 854          HD11      LEU 854   4.628   9.818  -3.873
  254   HD12  LEU 854          HD12      LEU 854   5.524   9.947  -5.388
  255   HD13  LEU 854          HD13      LEU 854   5.855  11.067  -4.070
  256   HD21  LEU 854          HD21      LEU 854   7.055   8.196  -1.852
  257   HD22  LEU 854          HD22      LEU 854   5.579   9.162  -1.898
  258   HD23  LEU 854          HD23      LEU 854   7.151   9.956  -1.858
  259    H    GLU 855           HN       GLU 855   4.875   5.383  -5.634
  260    HA   GLU 855           HA       GLU 855   3.550   6.646  -7.730
  261    H    ILE 856           HN       ILE 856   2.146   4.698  -5.091
  262    HA   ILE 856           HA       ILE 856  -0.540   5.201  -5.880
  263    HB   ILE 856           HB       ILE 856  -0.093   4.679  -3.012
  264   HG12  ILE 856          HG11      ILE 856   1.084   2.920  -5.176
  265   HG21  ILE 856          HG21      ILE 856  -2.241   4.520  -4.344
  266   HG22  ILE 856          HG22      ILE 856  -1.846   3.108  -3.362
  267   HG23  ILE 856          HG23      ILE 856  -1.563   3.079  -5.104
  268   HD11  ILE 856          HD11      ILE 856  -0.193   2.074  -2.571
  269   HD12  ILE 856          HD12      ILE 856   1.108   1.134  -3.303
  270   HD13  ILE 856          HD13      ILE 856  -0.406   1.371  -4.173
  271    H    GLY 857           HN       GLY 857   1.798   7.130  -4.414
  272    HA2  GLY 857           HA2      GLY 857   1.506   9.442  -4.048
  273    HA3  GLY 857           HA1      GLY 857  -0.218   9.173  -3.823
  274    H    ILE 858           HN       ILE 858   1.854   6.961  -2.176
  275    HA   ILE 858           HA       ILE 858   0.959   7.937   0.390
  276    HB   ILE 858           HB       ILE 858   3.155   5.908  -0.037
  277   HG12  ILE 858          HG11      ILE 858   1.132   5.373  -1.484
  278   HG21  ILE 858          HG21      ILE 858   2.286   4.993   2.072
  279   HG22  ILE 858          HG22      ILE 858   1.004   6.201   2.085
  280   HG23  ILE 858          HG23      ILE 858   2.683   6.700   2.270
  281   HD11  ILE 858          HD11      ILE 858  -0.575   6.358   0.016
  282   HD12  ILE 858          HD12      ILE 858  -0.217   5.123   1.222
  283   HD13  ILE 858          HD13      ILE 858  -0.922   4.665  -0.327
  284    H    LEU 859           HN       LEU 859   1.774   9.947   0.803
  285    HA   LEU 859           HA       LEU 859   4.494  10.646   0.212
  286    HB2  LEU 859           HB2      LEU 859   2.640  12.190   2.023
  287    HB3  LEU 859           HB1      LEU 859   3.983  12.794   1.058
  288    HG   LEU 859           HG       LEU 859   2.303  11.510  -0.797
  289   HD11  LEU 859          HD11      LEU 859   0.749  13.001   1.321
  290   HD12  LEU 859          HD12      LEU 859   0.405  11.425   0.611
  291   HD13  LEU 859          HD13      LEU 859   0.170  12.889  -0.340
  292   HD21  LEU 859          HD21      LEU 859   3.464  13.476  -1.409
  293   HD22  LEU 859          HD22      LEU 859   2.831  14.386  -0.038
  294   HD23  LEU 859          HD23      LEU 859   1.773  13.970  -1.385
  295    H    ASN 860           HN       ASN 860   2.865  10.925   3.352
  296    HA   ASN 860           HA       ASN 860   4.957  11.132   5.026
  297    HB2  ASN 860           HB2      ASN 860   2.616  11.100   5.789
  298    HB3  ASN 860           HB1      ASN 860   2.566   9.355   5.556
  299   HD21  ASN 860          HD21      ASN 860   3.822  11.919   7.628
  300   HD22  ASN 860          HD22      ASN 860   4.411  10.891   8.842
  301    H    SER 861           HN       SER 861   6.833  10.098   5.019
  302    HA   SER 861           HA       SER 861   7.322   7.554   4.007
  303    HB2  SER 861           HB2      SER 861   8.888   9.006   6.145
  304    HB3  SER 861           HB1      SER 861   9.472   7.676   5.152
  305    HG   SER 861           HG       SER 861   9.271  10.330   4.570
  306    H    GLY 862           HN       GLY 862   6.427   8.538   7.269
  307    HA2  GLY 862           HA2      GLY 862   6.790   6.095   8.587
  308    HA3  GLY 862           HA1      GLY 862   5.552   7.286   8.995
  309    H    HIS 863           HN       HIS 863   4.049   7.377   6.746
  310    HA   HIS 863           HA       HIS 863   2.406   5.069   6.918
  311    HB2  HIS 863           HB2      HIS 863   2.534   7.318   4.899
  312    HB3  HIS 863           HB1      HIS 863   1.342   6.029   4.830
  313    H    ARG 864           HN       ARG 864   4.690   6.226   4.454
  314    HA   ARG 864           HA       ARG 864   4.468   4.116   2.644
  315    H    GLN 865           HN       GLN 865   6.685   4.435   5.411
  316    HA   GLN 865           HA       GLN 865   7.864   1.894   5.242
  317    HB2  GLN 865           HB2      GLN 865   7.336   3.722   7.590
  318    HB3  GLN 865           HB1      GLN 865   8.211   2.200   7.747
  319    HG2  GLN 865           HG2      GLN 865   9.664   3.103   5.772
  320    HG3  GLN 865           HG1      GLN 865   9.001   4.675   6.219
  321   HE21  GLN 865          HE21      GLN 865  10.284   1.829   8.028
  322   HE22  GLN 865          HE22      GLN 865  11.279   2.754   9.045
  323    H    ARG 866           HN       ARG 866   4.994   2.993   7.025
  324    HA   ARG 866           HA       ARG 866   4.337   0.530   8.201
  325    H    ILE 867           HN       ILE 867   3.281   1.961   5.119
  326    HA   ILE 867           HA       ILE 867   1.663  -0.198   4.303
  327    HB   ILE 867           HB       ILE 867   3.235   1.774   2.618
  328   HG12  ILE 867          HG11      ILE 867   1.377   2.530   4.335
  329   HG21  ILE 867          HG21      ILE 867   1.459   1.177   0.896
  330   HG22  ILE 867          HG22      ILE 867   1.026  -0.185   1.928
  331   HG23  ILE 867          HG23      ILE 867   2.637  -0.095   1.219
  332   HD11  ILE 867          HD11      ILE 867  -0.463   1.831   2.067
  333   HD12  ILE 867          HD12      ILE 867  -0.852   2.176   3.752
  334   HD13  ILE 867          HD13      ILE 867  -0.136   0.627   3.312
  335    H    LEU 868           HN       LEU 868   5.103   0.503   3.793
  336    HA   LEU 868           HA       LEU 868   5.735  -1.729   2.216
  337    HB2  LEU 868           HB2      LEU 868   7.213   0.310   2.932
  338    HB3  LEU 868           HB1      LEU 868   7.625  -0.698   4.317
  339    HG   LEU 868           HG       LEU 868   8.243  -2.538   2.690
  340   HD11  LEU 868          HD11      LEU 868   7.638  -0.310   0.754
  341   HD12  LEU 868          HD12      LEU 868   7.156  -2.004   0.679
  342   HD13  LEU 868          HD13      LEU 868   8.826  -1.549   0.350
  343   HD21  LEU 868          HD21      LEU 868   9.837  -0.021   2.172
  344   HD22  LEU 868          HD22      LEU 868  10.427  -1.676   2.319
  345   HD23  LEU 868          HD23      LEU 868   9.852  -0.816   3.745
  346    H    GLN 869           HN       GLN 869   5.704  -1.292   5.715
  347    HA   GLN 869           HA       GLN 869   6.382  -3.992   6.341
  348    HB2  GLN 869           HB2      GLN 869   5.022  -1.810   7.931
  349    HB3  GLN 869           HB1      GLN 869   5.396  -3.398   8.599
  350    HG2  GLN 869           HG2      GLN 869   7.661  -2.111   7.202
  351    HG3  GLN 869           HG1      GLN 869   7.117  -1.260   8.645
  352   HE21  GLN 869          HE21      GLN 869   7.686  -4.702   7.672
  353   HE22  GLN 869          HE22      GLN 869   8.444  -5.122   9.136
  354    H    ALA 870           HN       ALA 870   3.422  -2.258   5.713
  355    HA   ALA 870           HA       ALA 870   1.568  -4.148   6.606
  356    HB1  ALA 870           HB1      ALA 870  -0.051  -2.991   5.306
  357    HB2  ALA 870           HB2      ALA 870   1.169  -2.380   4.193
  358    HB3  ALA 870           HB3      ALA 870   1.100  -1.771   5.844
  359    H    ILE 871           HN       ILE 871   3.058  -3.751   3.367
  360    HA   ILE 871           HA       ILE 871   1.706  -6.022   2.320
  361    HB   ILE 871           HB       ILE 871   3.448  -5.954   0.525
  362   HG12  ILE 871          HG11      ILE 871   4.350  -3.401   1.850
  363   HG21  ILE 871          HG21      ILE 871   2.225  -3.246   1.030
  364   HG22  ILE 871          HG22      ILE 871   1.272  -4.643   0.521
  365   HG23  ILE 871          HG23      ILE 871   2.545  -4.013  -0.523
  366   HD11  ILE 871          HD11      ILE 871   6.305  -4.040   0.159
  367   HD12  ILE 871          HD12      ILE 871   4.859  -3.204  -0.409
  368   HD13  ILE 871          HD13      ILE 871   5.016  -4.944  -0.638
  369    H    GLN 872           HN       GLN 872   4.795  -5.508   3.918
  370    HA   GLN 872           HA       GLN 872   5.897  -8.081   3.555
  371    HB2  GLN 872           HB2      GLN 872   6.221  -6.104   5.823
  372    HB3  GLN 872           HB1      GLN 872   7.191  -7.562   5.637
  373    HG2  GLN 872           HG2      GLN 872   8.214  -6.792   3.668
  374    HG3  GLN 872           HG1      GLN 872   6.958  -5.600   3.364
  375   HE21  GLN 872          HE21      GLN 872   9.088  -4.230   3.202
  376   HE22  GLN 872          HE22      GLN 872   9.609  -3.498   4.641
  377    H    LEU 873           HN       LEU 873   3.500  -6.808   5.750
  378    HA   LEU 873           HA       LEU 873   3.429  -9.003   7.546
  379    HB2  LEU 873           HB2      LEU 873   1.946  -6.553   7.123
  380    HB3  LEU 873           HB1      LEU 873   0.837  -7.886   7.418
  381    HG   LEU 873           HG       LEU 873   1.611  -6.699   9.509
  382   HD11  LEU 873          HD11      LEU 873   1.982  -8.743  10.777
  383   HD12  LEU 873          HD12      LEU 873   2.440  -9.610   9.313
  384   HD13  LEU 873          HD13      LEU 873   0.781  -9.046   9.523
  385   HD21  LEU 873          HD21      LEU 873   4.221  -8.150   9.318
  386   HD22  LEU 873          HD22      LEU 873   3.828  -6.652  10.156
  387   HD23  LEU 873          HD23      LEU 873   4.066  -6.646   8.410
  388    H    LEU 874           HN       LEU 874   2.051  -8.424   4.397
  389    HA   LEU 874           HA       LEU 874   0.116 -10.522   4.491
  390    HB2  LEU 874           HB2      LEU 874   1.404  -9.243   2.070
  391    HB3  LEU 874           HB1      LEU 874  -0.078 -10.197   2.080
  392    HG   LEU 874           HG       LEU 874   0.290  -7.625   3.654
  393   HD11  LEU 874          HD11      LEU 874   0.292  -7.452   1.077
  394   HD12  LEU 874          HD12      LEU 874  -0.881  -6.475   1.956
  395   HD13  LEU 874          HD13      LEU 874  -1.390  -7.968   1.176
  396   HD21  LEU 874          HD21      LEU 874  -2.304  -7.844   3.582
  397   HD22  LEU 874          HD22      LEU 874  -1.422  -8.880   4.702
  398   HD23  LEU 874          HD23      LEU 874  -2.005  -9.531   3.171
  399    HA   PRO 875           HA       PRO 875   2.812 -14.079   4.392
  400    HB2  PRO 875           HB2      PRO 875   0.557 -15.058   2.680
  401    HB3  PRO 875           HB1      PRO 875   1.384 -15.869   4.023
  402    HG2  PRO 875           HG2      PRO 875  -0.995 -14.761   4.376
  403    HG3  PRO 875           HG1      PRO 875   0.251 -14.679   5.632
  404    HD2  PRO 875           HD2      PRO 875  -0.762 -12.513   3.867
  405    HD3  PRO 875           HD1      PRO 875  -0.012 -12.405   5.477
  406    H    LYS 876           HN       LYS 876   4.303 -14.935   2.942
  407    HA   LYS 876           HA       LYS 876   4.492 -13.652   0.330
  Start of MODEL    2
    1    HA   GLN 814           HA       GLN 814  -8.939  -8.795   3.069
    2    HB2  GLN 814           HB2      GLN 814  -9.605 -10.057   1.015
    3    HB3  GLN 814           HB1      GLN 814 -10.437 -10.609   2.464
    4    HG2  GLN 814           HG2      GLN 814 -11.779  -8.463   0.867
    5    HG3  GLN 814           HG1      GLN 814 -11.755 -10.084   0.180
    6   HE21  GLN 814          HE21      GLN 814 -13.643 -11.177   0.726
    7   HE22  GLN 814          HE22      GLN 814 -14.434 -11.052   2.222
    8    H    THR 815           HN       THR 815 -11.242  -6.483   1.883
    9    HA   THR 815           HA       THR 815  -9.751  -5.771  -0.468
   10    HB   THR 815           HB       THR 815 -11.646  -3.790   0.619
   11   HG21  THR 815          HG21      THR 815 -11.158  -5.225  -1.991
   12   HG22  THR 815          HG22      THR 815 -11.006  -3.506  -1.633
   13   HG23  THR 815          HG23      THR 815 -12.601  -4.243  -1.740
   14    H    VAL 816           HN       VAL 816  -8.907  -3.588  -0.821
   15    HA   VAL 816           HA       VAL 816  -6.956  -2.917   1.091
   16    HB   VAL 816           HB       VAL 816  -6.778  -0.803  -0.382
   17   HG11  VAL 816          HG11      VAL 816  -5.824  -2.229  -2.286
   18   HG12  VAL 816          HG12      VAL 816  -6.418  -3.633  -1.401
   19   HG13  VAL 816          HG13      VAL 816  -5.202  -2.582  -0.675
   20   HG21  VAL 816          HG21      VAL 816  -8.471  -2.448  -2.275
   21   HG22  VAL 816          HG22      VAL 816  -7.979  -0.763  -2.428
   22   HG23  VAL 816          HG23      VAL 816  -9.201  -1.217  -1.243
   23    H    GLY 817           HN       GLY 817  -8.510  -2.780   2.917
   24    HA2  GLY 817           HA2      GLY 817  -9.068   0.013   3.507
   25    HA3  GLY 817           HA1      GLY 817 -10.490  -1.016   3.445
   26    H    GLN 818           HN       GLN 818 -10.495  -2.949   4.858
   27    HA   GLN 818           HA       GLN 818  -9.967  -2.344   7.519
   28    HB2  GLN 818           HB2      GLN 818 -11.214  -4.428   6.260
   29    HB3  GLN 818           HB1      GLN 818  -9.745  -5.217   6.832
   30    HG2  GLN 818           HG2      GLN 818 -11.105  -5.470   8.686
   31    HG3  GLN 818           HG1      GLN 818 -10.315  -3.948   9.083
   32   HE21  GLN 818          HE21      GLN 818 -11.997  -2.606   6.858
   33   HE22  GLN 818          HE22      GLN 818 -13.517  -2.399   7.582
   34    H    TRP 819           HN       TRP 819  -8.033  -4.075   5.150
   35    HA   TRP 819           HA       TRP 819  -5.860  -4.816   6.729
   36    HB2  TRP 819           HB2      TRP 819  -6.157  -5.504   4.371
   37    HB3  TRP 819           HB1      TRP 819  -5.853  -3.848   3.853
   38    HD1  TRP 819           HD1      TRP 819  -4.074  -6.639   5.853
   39    H    LEU 820           HN       LEU 820  -6.255  -1.856   4.779
   40    HA   LEU 820           HA       LEU 820  -4.000  -0.453   5.676
   41    HB2  LEU 820           HB2      LEU 820  -6.687   0.732   4.933
   42    HB3  LEU 820           HB1      LEU 820  -5.128   1.553   4.903
   43    HG   LEU 820           HG       LEU 820  -5.670  -0.940   3.269
   44   HD11  LEU 820          HD11      LEU 820  -7.248   0.597   2.412
   45   HD12  LEU 820          HD12      LEU 820  -5.849   0.762   1.354
   46   HD13  LEU 820          HD13      LEU 820  -6.156   1.962   2.609
   47   HD21  LEU 820          HD21      LEU 820  -3.569   1.245   3.237
   48   HD22  LEU 820          HD22      LEU 820  -3.754   0.065   1.941
   49   HD23  LEU 820          HD23      LEU 820  -3.325  -0.465   3.565
   50    H    GLU 821           HN       GLU 821  -7.341  -0.387   6.858
   51    HA   GLU 821           HA       GLU 821  -6.957   1.380   8.987
   52    H    SER 822           HN       SER 822  -6.229  -2.015   8.651
   53    HA   SER 822           HA       SER 822  -5.799  -2.548  11.430
   54    HB2  SER 822           HB2      SER 822  -4.532  -4.009   9.106
   55    HB3  SER 822           HB1      SER 822  -4.837  -4.618  10.724
   56    HG   SER 822           HG       SER 822  -6.827  -3.746   8.861
   57    H    ILE 823           HN       ILE 823  -3.609  -1.852   8.708
   58    HA   ILE 823           HA       ILE 823  -1.251  -1.739  10.276
   59    HB   ILE 823           HB       ILE 823  -1.157   0.137   8.050
   60   HG12  ILE 823          HG11      ILE 823  -2.174  -2.672   7.491
   61   HG21  ILE 823          HG21      ILE 823   0.124  -2.580   8.279
   62   HG22  ILE 823          HG22      ILE 823   0.708  -1.192   9.198
   63   HG23  ILE 823          HG23      ILE 823   0.730  -1.158   7.434
   64   HD11  ILE 823          HD11      ILE 823  -0.783  -2.493   5.706
   65   HD12  ILE 823          HD12      ILE 823  -0.596  -0.750   5.888
   66   HD13  ILE 823          HD13      ILE 823  -2.019  -1.406   5.082
   67    H    GLY 824           HN       GLY 824  -3.757   0.591   9.537
   68    HA2  GLY 824           HA2      GLY 824  -4.307   2.209  11.253
   69    HA3  GLY 824           HA1      GLY 824  -2.592   2.371  11.594
   70    H    LEU 825           HN       LEU 825  -3.928   2.329   8.312
   71    HA   LEU 825           HA       LEU 825  -3.794   5.229   8.204
   72    HB2  LEU 825           HB2      LEU 825  -2.417   4.981   5.968
   73    HB3  LEU 825           HB1      LEU 825  -1.629   5.133   7.526
   74    HG   LEU 825           HG       LEU 825  -0.695   3.335   6.002
   75   HD11  LEU 825          HD11      LEU 825  -0.072   2.037   7.769
   76   HD12  LEU 825          HD12      LEU 825  -1.690   2.000   8.467
   77   HD13  LEU 825          HD13      LEU 825  -0.693   3.448   8.620
   78   HD21  LEU 825          HD21      LEU 825  -2.740   2.457   5.064
   79   HD22  LEU 825          HD22      LEU 825  -3.342   2.006   6.659
   80   HD23  LEU 825          HD23      LEU 825  -1.948   1.177   5.975
   81    HA   PRO 826           HA       PRO 826  -7.296   3.728   5.688
   82    HB2  PRO 826           HB2      PRO 826  -8.488   6.257   6.604
   83    HB3  PRO 826           HB1      PRO 826  -9.095   4.601   6.776
   84    HG2  PRO 826           HG2      PRO 826  -8.173   6.036   8.859
   85    HG3  PRO 826           HG1      PRO 826  -8.037   4.270   8.768
   86    HD2  PRO 826           HD2      PRO 826  -5.926   6.342   8.298
   87    HD3  PRO 826           HD1      PRO 826  -5.787   4.735   9.054
   88    H    GLN 827           HN       GLN 827  -8.407   4.952   3.902
   89    HA   GLN 827           HA       GLN 827  -8.430   6.313   2.065
   90    HB2  GLN 827           HB2      GLN 827  -6.417   8.117   3.420
   91    HB3  GLN 827           HB1      GLN 827  -7.580   8.530   2.166
   92    HG2  GLN 827           HG2      GLN 827  -8.538   7.477   4.828
   93    HG3  GLN 827           HG1      GLN 827  -8.136   9.177   4.630
   94   HE21  GLN 827          HE21      GLN 827 -10.112  10.235   4.429
   95   HE22  GLN 827          HE22      GLN 827 -11.357   9.764   3.378
   96    H    TYR 828           HN       TYR 828  -6.491   4.140   2.482
   97    HA   TYR 828           HA       TYR 828  -4.328   4.988   0.635
   98    HB2  TYR 828           HB2      TYR 828  -4.510   3.022   2.822
   99    HB3  TYR 828           HB1      TYR 828  -3.800   2.375   1.345
  100    HH   TYR 828           HH       TYR 828   1.536   5.080   3.420
  101    H    GLU 829           HN       GLU 829  -7.337   3.644   0.735
  102    HA   GLU 829           HA       GLU 829  -7.166   1.472  -1.084
  103    H    ASN 830           HN       ASN 830  -8.588   4.669  -1.584
  104    HA   ASN 830           HA       ASN 830  -8.810   4.696  -4.313
  105    HB2  ASN 830           HB2      ASN 830  -8.650   7.126  -4.187
  106    HB3  ASN 830           HB1      ASN 830  -9.585   6.511  -2.825
  107   HD21  ASN 830          HD21      ASN 830  -7.968   9.043  -2.989
  108   HD22  ASN 830          HD22      ASN 830  -6.845   8.940  -1.721
  109    H    HIS 831           HN       HIS 831  -5.961   5.329  -2.354
  110    HA   HIS 831           HA       HIS 831  -4.249   6.152  -4.441
  111    HB2  HIS 831           HB2      HIS 831  -3.691   4.892  -1.749
  112    HB3  HIS 831           HB1      HIS 831  -2.418   5.429  -2.842
  113    H    LEU 832           HN       LEU 832  -4.434   2.978  -2.796
  114    HA   LEU 832           HA       LEU 832  -2.753   1.625  -4.591
  115    HB2  LEU 832           HB2      LEU 832  -4.677   0.879  -2.475
  116    HB3  LEU 832           HB1      LEU 832  -4.421  -0.338  -3.715
  117    HG   LEU 832           HG       LEU 832  -1.941  -0.099  -3.366
  118   HD11  LEU 832          HD11      LEU 832  -1.175   1.048  -1.326
  119   HD12  LEU 832          HD12      LEU 832  -2.824   1.582  -1.001
  120   HD13  LEU 832          HD13      LEU 832  -1.966   2.179  -2.422
  121   HD21  LEU 832          HD21      LEU 832  -1.916  -1.295  -1.189
  122   HD22  LEU 832          HD22      LEU 832  -3.182  -1.903  -2.252
  123   HD23  LEU 832          HD23      LEU 832  -3.593  -0.819  -0.921
  124    H    MET 833           HN       MET 833  -6.268   2.015  -4.495
  125    HA   MET 833           HA       MET 833  -6.918   0.423  -6.704
  126    HB2  MET 833           HB2      MET 833  -8.266   2.895  -5.596
  127    HB3  MET 833           HB1      MET 833  -8.963   1.885  -6.863
  128    HG2  MET 833           HG2      MET 833  -8.056   0.716  -4.225
  129    HG3  MET 833           HG1      MET 833  -9.676   1.367  -4.442
  130    HE1  MET 833           HE1      MET 833  -7.619  -2.252  -6.074
  131    HE2  MET 833           HE2      MET 833  -8.245  -2.297  -4.433
  132    HE3  MET 833           HE3      MET 833  -7.133  -1.017  -4.904
  133    H    ALA 834           HN       ALA 834  -6.398   3.956  -6.581
  134    HA   ALA 834           HA       ALA 834  -6.588   4.499  -9.300
  135    HB1  ALA 834           HB1      ALA 834  -4.805   5.735  -7.187
  136    HB2  ALA 834           HB2      ALA 834  -6.367   6.327  -7.755
  137    HB3  ALA 834           HB3      ALA 834  -4.964   6.379  -8.821
  138    H    ASN 835           HN       ASN 835  -3.703   3.640  -7.418
  139    HA   ASN 835           HA       ASN 835  -1.943   3.441  -9.629
  140    HB2  ASN 835           HB2      ASN 835  -1.180   3.608  -7.272
  141    HB3  ASN 835           HB1      ASN 835  -1.784   1.979  -6.983
  142   HD21  ASN 835          HD21      ASN 835   0.307   1.004  -6.643
  143   HD22  ASN 835          HD22      ASN 835   1.447   0.871  -7.886
  144    H    GLY 836           HN       GLY 836  -4.472   1.429  -8.516
  145    HA2  GLY 836           HA2      GLY 836  -5.392  -0.423  -9.575
  146    HA3  GLY 836           HA1      GLY 836  -4.003  -0.469 -10.660
  147    H    PHE 837           HN       PHE 837  -3.623  -0.265  -7.222
  148    HA   PHE 837           HA       PHE 837  -2.316  -2.894  -7.233
  149    HB2  PHE 837           HB2      PHE 837  -2.071  -0.403  -5.622
  150    HB3  PHE 837           HB1      PHE 837  -1.757  -1.924  -4.793
  151    HZ   PHE 837           HZ       PHE 837   3.110  -1.658  -8.026
  152    H    ASP 838           HN       ASP 838  -4.280  -4.078  -7.291
  153    HA   ASP 838           HA       ASP 838  -6.025  -3.884  -4.950
  154    H    ASN 839           HN       ASN 839  -6.674  -5.934  -3.914
  155    HA   ASN 839           HA       ASN 839  -6.129  -7.714  -2.581
  156    HB2  ASN 839           HB2      ASN 839  -6.115  -8.787  -4.854
  157    HB3  ASN 839           HB1      ASN 839  -4.367  -8.577  -4.873
  158   HD21  ASN 839          HD21      ASN 839  -6.580 -10.908  -4.266
  159   HD22  ASN 839          HD22      ASN 839  -5.766 -11.787  -3.063
  160    H    VAL 840           HN       VAL 840  -5.053  -6.457  -1.044
  161    HA   VAL 840           HA       VAL 840  -2.472  -5.550  -1.006
  162    HB   VAL 840           HB       VAL 840  -2.549  -5.892   1.474
  163   HG11  VAL 840          HG11      VAL 840  -4.974  -4.762   0.056
  164   HG12  VAL 840          HG12      VAL 840  -3.539  -3.890   0.597
  165   HG13  VAL 840          HG13      VAL 840  -4.675  -4.540   1.778
  166   HG21  VAL 840          HG21      VAL 840  -4.806  -6.753   2.331
  167   HG22  VAL 840          HG22      VAL 840  -3.725  -7.985   1.690
  168   HG23  VAL 840          HG23      VAL 840  -5.075  -7.403   0.715
  169    H    GLN 841           HN       GLN 841  -3.563  -8.830  -0.169
  170    HA   GLN 841           HA       GLN 841  -1.123  -9.965   0.542
  171    HB2  GLN 841           HB2      GLN 841  -3.693 -10.998  -0.540
  172    HB3  GLN 841           HB1      GLN 841  -2.294 -12.044  -0.757
  173    HG2  GLN 841           HG2      GLN 841  -2.982 -10.805   1.918
  174    HG3  GLN 841           HG1      GLN 841  -3.617 -12.368   1.410
  175   HE21  GLN 841          HE21      GLN 841  -1.841 -12.089   3.661
  176   HE22  GLN 841          HE22      GLN 841  -0.385 -12.873   3.274
  177    H    PHE 842           HN       PHE 842  -2.650  -9.880  -2.655
  178    HA   PHE 842           HA       PHE 842  -0.515 -10.964  -4.112
  179    HB2  PHE 842           HB2      PHE 842  -2.905 -10.481  -4.907
  180    HB3  PHE 842           HB1      PHE 842  -2.366  -8.820  -5.156
  181    HZ   PHE 842           HZ       PHE 842   0.064 -11.264  -9.871
  182    H    MET 843           HN       MET 843  -1.357  -7.585  -3.410
  183    HA   MET 843           HA       MET 843   0.648  -6.243  -4.734
  184    HB2  MET 843           HB2      MET 843  -1.242  -5.344  -3.176
  185    HB3  MET 843           HB1      MET 843  -0.039  -5.497  -1.899
  186    HG2  MET 843           HG2      MET 843   1.538  -4.146  -3.381
  187    HG3  MET 843           HG1      MET 843   0.138  -3.798  -4.397
  188    HE1  MET 843           HE1      MET 843   2.229  -2.271  -2.893
  189    HE2  MET 843           HE2      MET 843   1.882  -1.689  -1.268
  190    HE3  MET 843           HE3      MET 843   1.299  -0.783  -2.655
  191    H    GLY 844           HN       GLY 844   0.846  -7.431  -1.380
  192    HA2  GLY 844           HA2      GLY 844   3.602  -6.870  -1.034
  193    HA3  GLY 844           HA1      GLY 844   2.651  -7.989  -0.059
  194    H    SER 845           HN       SER 845   1.880  -9.627  -2.311
  195    HA   SER 845           HA       SER 845   4.310 -11.227  -2.470
  196    HB2  SER 845           HB2      SER 845   1.677 -11.980  -3.688
  197    HB3  SER 845           HB1      SER 845   2.944 -13.009  -3.036
  198    HG   SER 845           HG       SER 845   1.224 -11.239  -1.582
  199    H    ASN 846           HN       ASN 846   3.367  -8.677  -4.145
  200    HA   ASN 846           HA       ASN 846   4.349  -9.796  -6.700
  201    HB2  ASN 846           HB2      ASN 846   1.869  -9.365  -6.714
  202    HB3  ASN 846           HB1      ASN 846   2.238  -7.652  -6.529
  203   HD21  ASN 846          HD21      ASN 846   4.824  -8.330  -8.270
  204   HD22  ASN 846          HD22      ASN 846   4.198  -8.279  -9.844
  205    H    VAL 847           HN       VAL 847   3.771  -6.689  -4.990
  206    HA   VAL 847           HA       VAL 847   6.439  -5.850  -5.825
  207    HB   VAL 847           HB       VAL 847   5.344  -5.091  -7.743
  208   HG11  VAL 847          HG11      VAL 847   3.075  -4.155  -5.960
  209   HG12  VAL 847          HG12      VAL 847   3.046  -5.570  -7.013
  210   HG13  VAL 847          HG13      VAL 847   3.151  -3.956  -7.710
  211   HG21  VAL 847          HG21      VAL 847   5.427  -2.696  -7.611
  212   HG22  VAL 847          HG22      VAL 847   6.602  -3.282  -6.435
  213   HG23  VAL 847          HG23      VAL 847   5.024  -2.705  -5.896
  214    H    MET 848           HN       MET 848   7.416  -4.689  -4.364
  215    HA   MET 848           HA       MET 848   5.905  -3.005  -2.507
  216    HB2  MET 848           HB2      MET 848   7.499  -3.864  -0.662
  217    HB3  MET 848           HB1      MET 848   6.154  -4.910  -1.111
  218    HG2  MET 848           HG2      MET 848   7.561  -6.540  -1.770
  219    HG3  MET 848           HG1      MET 848   8.433  -5.432  -2.826
  220    HE1  MET 848           HE1      MET 848  11.035  -6.353  -2.281
  221    HE2  MET 848           HE2      MET 848   9.813  -7.574  -1.938
  222    HE3  MET 848           HE3      MET 848  11.111  -7.294  -0.785
  223    H    GLU 849           HN       GLU 849   6.750  -1.098  -3.269
  224    HA   GLU 849           HA       GLU 849   9.652  -0.746  -3.014
  225    H    ASP 850           HN       ASP 850  10.323   1.470  -3.192
  226    HA   ASP 850           HA       ASP 850   8.624   3.284  -1.739
  227    H    GLN 851           HN       GLN 851   9.647   2.750  -5.029
  228    HA   GLN 851           HA       GLN 851   8.775   5.036  -6.325
  229    HB2  GLN 851           HB2      GLN 851   8.578   2.169  -7.279
  230    HB3  GLN 851           HB1      GLN 851   8.446   3.593  -8.308
  231    HG2  GLN 851           HG2      GLN 851  10.767   4.246  -7.336
  232    HG3  GLN 851           HG1      GLN 851  10.859   2.561  -6.825
  233   HE21  GLN 851          HE21      GLN 851   9.125   1.904  -9.340
  234   HE22  GLN 851          HE22      GLN 851  10.267   1.889 -10.597
  235    H    ASP 852           HN       ASP 852   6.955   2.210  -5.270
  236    HA   ASP 852           HA       ASP 852   4.496   2.821  -6.467
  237    H    LEU 853           HN       LEU 853   5.526   3.375  -3.124
  238    HA   LEU 853           HA       LEU 853   3.305   4.849  -2.300
  239    HB2  LEU 853           HB2      LEU 853   6.169   5.268  -1.417
  240    HB3  LEU 853           HB1      LEU 853   4.717   5.693  -0.512
  241    HG   LEU 853           HG       LEU 853   5.212   2.847  -1.404
  242   HD11  LEU 853          HD11      LEU 853   7.016   2.807  -0.059
  243   HD12  LEU 853          HD12      LEU 853   5.866   2.906   1.273
  244   HD13  LEU 853          HD13      LEU 853   6.632   4.370   0.658
  245   HD21  LEU 853          HD21      LEU 853   3.409   4.286   0.522
  246   HD22  LEU 853          HD22      LEU 853   3.874   2.623   0.874
  247   HD23  LEU 853          HD23      LEU 853   3.027   3.000  -0.624
  248    H    LEU 854           HN       LEU 854   6.243   5.807  -3.945
  249    HA   LEU 854           HA       LEU 854   5.750   8.612  -3.989
  250    HB2  LEU 854           HB2      LEU 854   7.665   6.754  -5.158
  251    HB3  LEU 854           HB1      LEU 854   7.170   7.979  -6.321
  252    HG   LEU 854           HG       LEU 854   7.584   9.692  -4.444
  253   HD11  LEU 854          HD11      LEU 854   9.598   7.908  -3.266
  254   HD12  LEU 854          HD12      LEU 854   7.942   7.415  -2.919
  255   HD13  LEU 854          HD13      LEU 854   8.493   9.031  -2.479
  256   HD21  LEU 854          HD21      LEU 854  10.195   9.320  -4.808
  257   HD22  LEU 854          HD22      LEU 854   9.157   9.829  -6.138
  258   HD23  LEU 854          HD23      LEU 854   9.625   8.138  -5.985
  259    H    GLU 855           HN       GLU 855   5.127   5.996  -6.308
  260    HA   GLU 855           HA       GLU 855   3.995   7.394  -8.395
  261    H    ILE 856           HN       ILE 856   2.353   6.132  -5.517
  262    HA   ILE 856           HA       ILE 856  -0.127   7.432  -6.295
  263    HB   ILE 856           HB       ILE 856  -0.444   6.602  -3.650
  264   HG12  ILE 856          HG11      ILE 856   1.220   4.563  -5.181
  265   HG21  ILE 856          HG21      ILE 856  -2.158   6.160  -5.156
  266   HG22  ILE 856          HG22      ILE 856  -1.479   4.550  -4.910
  267   HG23  ILE 856          HG23      ILE 856  -1.066   5.471  -6.354
  268   HD11  ILE 856          HD11      ILE 856   0.118   4.428  -2.366
  269   HD12  ILE 856          HD12      ILE 856   0.951   3.152  -3.255
  270   HD13  ILE 856          HD13      ILE 856  -0.655   3.673  -3.761
  271    H    GLY 857           HN       GLY 857   2.603   8.667  -5.246
  272    HA2  GLY 857           HA2      GLY 857   3.208  10.598  -4.165
  273    HA3  GLY 857           HA1      GLY 857   1.550  11.124  -4.442
  274    H    ILE 858           HN       ILE 858   2.679   8.372  -2.524
  275    HA   ILE 858           HA       ILE 858   0.977   9.022  -0.339
  276    HB   ILE 858           HB       ILE 858   3.361   7.164  -0.465
  277   HG12  ILE 858          HG11      ILE 858   1.473   6.668  -2.064
  278   HG21  ILE 858          HG21      ILE 858   1.100   7.405   1.537
  279   HG22  ILE 858          HG22      ILE 858   2.801   7.751   1.843
  280   HG23  ILE 858          HG23      ILE 858   2.282   6.101   1.502
  281   HD11  ILE 858          HD11      ILE 858  -0.515   7.391  -1.084
  282   HD12  ILE 858          HD12      ILE 858  -0.068   6.810   0.517
  283   HD13  ILE 858          HD13      ILE 858  -0.586   5.669  -0.719
  284    H    LEU 859           HN       LEU 859   1.338  10.232   1.428
  285    HA   LEU 859           HA       LEU 859   3.869  11.709   1.543
  286    HB2  LEU 859           HB2      LEU 859   1.124  12.188   2.667
  287    HB3  LEU 859           HB1      LEU 859   2.520  13.060   3.293
  288    HG   LEU 859           HG       LEU 859   1.702  12.971   0.370
  289   HD11  LEU 859          HD11      LEU 859   1.402  15.123   2.480
  290   HD12  LEU 859          HD12      LEU 859   0.100  14.271   1.651
  291   HD13  LEU 859          HD13      LEU 859   1.142  15.377   0.755
  292   HD21  LEU 859          HD21      LEU 859   4.034  14.093   1.873
  293   HD22  LEU 859          HD22      LEU 859   3.367  15.074   0.570
  294   HD23  LEU 859          HD23      LEU 859   3.961  13.450   0.232
  295    H    ASN 860           HN       ASN 860   1.675  10.686   4.140
  296    HA   ASN 860           HA       ASN 860   3.389  10.673   6.220
  297    HB2  ASN 860           HB2      ASN 860   0.975  10.127   6.370
  298    HB3  ASN 860           HB1      ASN 860   1.338   8.500   5.797
  299   HD21  ASN 860          HD21      ASN 860   0.825  10.192   8.621
  300   HD22  ASN 860          HD22      ASN 860   1.723   9.221   9.682
  301    H    SER 861           HN       SER 861   5.447  10.009   6.117
  302    HA   SER 861           HA       SER 861   6.452   7.801   4.739
  303    HB2  SER 861           HB2      SER 861   7.864   8.473   7.230
  304    HB3  SER 861           HB1      SER 861   8.439   8.462   5.568
  305    HG   SER 861           HG       SER 861   7.676  10.542   7.067
  306    H    GLY 862           HN       GLY 862   5.157   8.092   8.002
  307    HA2  GLY 862           HA2      GLY 862   5.888   5.580   9.022
  308    HA3  GLY 862           HA1      GLY 862   4.475   6.507   9.523
  309    H    HIS 863           HN       HIS 863   2.921   6.624   7.393
  310    HA   HIS 863           HA       HIS 863   1.732   4.070   7.243
  311    HB2  HIS 863           HB2      HIS 863   1.371   6.371   5.313
  312    HB3  HIS 863           HB1      HIS 863   0.280   5.018   5.556
  313    H    ARG 864           HN       ARG 864   3.946   5.813   5.109
  314    HA   ARG 864           HA       ARG 864   3.913   4.092   2.905
  315    H    GLN 865           HN       GLN 865   6.220   4.047   5.641
  316    HA   GLN 865           HA       GLN 865   7.353   1.565   4.875
  317    HB2  GLN 865           HB2      GLN 865   8.332   1.524   7.171
  318    HB3  GLN 865           HB1      GLN 865   8.637   3.021   6.296
  319    HG2  GLN 865           HG2      GLN 865   6.599   3.986   7.483
  320    HG3  GLN 865           HG1      GLN 865   6.624   2.554   8.508
  321   HE21  GLN 865          HE21      GLN 865   9.724   2.608   8.169
  322   HE22  GLN 865          HE22      GLN 865  10.214   3.773   9.299
  323    H    ARG 866           HN       ARG 866   4.684   2.436   6.978
  324    HA   ARG 866           HA       ARG 866   4.232  -0.084   8.163
  325    H    ILE 867           HN       ILE 867   2.833   1.365   5.235
  326    HA   ILE 867           HA       ILE 867   1.429  -0.879   4.334
  327    HB   ILE 867           HB       ILE 867   2.716   1.375   2.772
  328   HG12  ILE 867          HG11      ILE 867   0.810   1.708   4.593
  329   HG21  ILE 867          HG21      ILE 867   2.314  -0.397   1.207
  330   HG22  ILE 867          HG22      ILE 867   0.964   0.724   1.040
  331   HG23  ILE 867          HG23      ILE 867   0.754  -0.778   1.937
  332   HD11  ILE 867          HD11      ILE 867  -0.821   0.909   2.171
  333   HD12  ILE 867          HD12      ILE 867  -1.419   1.387   3.757
  334   HD13  ILE 867          HD13      ILE 867  -0.575  -0.147   3.562
  335    H    LEU 868           HN       LEU 868   4.684   0.260   3.413
  336    HA   LEU 868           HA       LEU 868   5.354  -1.802   1.676
  337    HB2  LEU 868           HB2      LEU 868   6.653   0.385   2.372
  338    HB3  LEU 868           HB1      LEU 868   7.449  -0.699   3.511
  339    HG   LEU 868           HG       LEU 868   7.837  -2.261   1.489
  340   HD11  LEU 868          HD11      LEU 868   6.444  -1.394  -0.201
  341   HD12  LEU 868          HD12      LEU 868   8.039  -0.797  -0.655
  342   HD13  LEU 868          HD13      LEU 868   6.896   0.274   0.151
  343   HD21  LEU 868          HD21      LEU 868   9.823  -0.889   0.747
  344   HD22  LEU 868          HD22      LEU 868   9.683  -1.051   2.496
  345   HD23  LEU 868          HD23      LEU 868   9.190   0.448   1.708
  346    H    GLN 869           HN       GLN 869   6.059  -1.604   5.148
  347    HA   GLN 869           HA       GLN 869   7.134  -4.230   5.305
  348    HB2  GLN 869           HB2      GLN 869   5.992  -2.400   7.428
  349    HB3  GLN 869           HB1      GLN 869   6.745  -3.955   7.782
  350    HG2  GLN 869           HG2      GLN 869   8.120  -1.737   6.237
  351    HG3  GLN 869           HG1      GLN 869   8.317  -1.988   7.968
  352   HE21  GLN 869          HE21      GLN 869   9.276  -4.123   8.641
  353   HE22  GLN 869          HE22      GLN 869  10.306  -4.936   7.563
  354    H    ALA 870           HN       ALA 870   3.910  -2.883   5.821
  355    HA   ALA 870           HA       ALA 870   2.693  -5.177   6.863
  356    HB1  ALA 870           HB1      ALA 870   1.632  -2.970   6.890
  357    HB2  ALA 870           HB2      ALA 870   0.575  -4.182   6.171
  358    HB3  ALA 870           HB3      ALA 870   1.436  -3.038   5.139
  359    H    ILE 871           HN       ILE 871   2.880  -4.081   3.437
  360    HA   ILE 871           HA       ILE 871   1.524  -6.349   2.456
  361    HB   ILE 871           HB       ILE 871   2.487  -5.810   0.269
  362   HG12  ILE 871          HG11      ILE 871   4.062  -3.674   1.729
  363   HG21  ILE 871          HG21      ILE 871   1.361  -3.794  -0.049
  364   HG22  ILE 871          HG22      ILE 871   1.798  -3.190   1.546
  365   HG23  ILE 871          HG23      ILE 871   0.590  -4.469   1.385
  366   HD11  ILE 871          HD11      ILE 871   4.060  -4.514  -1.188
  367   HD12  ILE 871          HD12      ILE 871   4.991  -3.194  -0.472
  368   HD13  ILE 871          HD13      ILE 871   3.235  -3.092  -0.551
  369    H    GLN 872           HN       GLN 872   4.917  -5.696   3.121
  370    HA   GLN 872           HA       GLN 872   5.897  -8.180   2.138
  371    HB2  GLN 872           HB2      GLN 872   6.954  -6.109   4.045
  372    HB3  GLN 872           HB1      GLN 872   7.789  -7.650   3.848
  373    HG2  GLN 872           HG2      GLN 872   6.992  -6.121   1.391
  374    HG3  GLN 872           HG1      GLN 872   8.406  -5.594   2.298
  375   HE21  GLN 872          HE21      GLN 872  10.312  -6.838   2.111
  376   HE22  GLN 872          HE22      GLN 872  10.419  -8.256   1.184
  377    H    LEU 873           HN       LEU 873   4.076  -7.293   4.888
  378    HA   LEU 873           HA       LEU 873   4.810  -9.658   6.438
  379    HB2  LEU 873           HB2      LEU 873   3.787  -7.098   7.081
  380    HB3  LEU 873           HB1      LEU 873   2.515  -8.247   7.478
  381    HG   LEU 873           HG       LEU 873   4.096  -7.849   9.374
  382   HD11  LEU 873          HD11      LEU 873   4.305 -10.673   8.297
  383   HD12  LEU 873          HD12      LEU 873   2.847 -10.019   9.039
  384   HD13  LEU 873          HD13      LEU 873   4.327 -10.165   9.984
  385   HD21  LEU 873          HD21      LEU 873   6.032  -8.016   7.365
  386   HD22  LEU 873          HD22      LEU 873   6.232  -9.514   8.277
  387   HD23  LEU 873          HD23      LEU 873   6.340  -7.960   9.097
  388    H    LEU 874           HN       LEU 874   2.879  -9.092   3.843
  389    HA   LEU 874           HA       LEU 874   0.597 -10.646   4.716
  390    HB2  LEU 874           HB2      LEU 874   1.308  -9.444   2.032
  391    HB3  LEU 874           HB1      LEU 874  -0.153 -10.373   2.334
  392    HG   LEU 874           HG       LEU 874   0.629  -7.917   3.927
  393   HD11  LEU 874          HD11      LEU 874   0.090  -7.621   1.391
  394   HD12  LEU 874          HD12      LEU 874  -0.752  -6.606   2.559
  395   HD13  LEU 874          HD13      LEU 874  -1.561  -8.009   1.870
  396   HD21  LEU 874          HD21      LEU 874  -0.928  -8.928   5.281
  397   HD22  LEU 874          HD22      LEU 874  -1.621  -9.869   3.961
  398   HD23  LEU 874          HD23      LEU 874  -2.059  -8.175   4.159
  399    HA   PRO 875           HA       PRO 875   2.395 -13.861   1.655
  400    HB2  PRO 875           HB2      PRO 875   4.889 -13.543   0.683
  401    HB3  PRO 875           HB1      PRO 875   3.471 -12.795  -0.078
  402    HG2  PRO 875           HG2      PRO 875   5.519 -11.583   1.714
  403    HG3  PRO 875           HG1      PRO 875   4.738 -10.910   0.272
  404    HD2  PRO 875           HD2      PRO 875   3.977 -10.266   2.827
  405    HD3  PRO 875           HD1      PRO 875   2.886 -10.207   1.423
  406    H    LYS 876           HN       LYS 876   4.098 -12.516   4.278
  407    HA   LYS 876           HA       LYS 876   4.890 -15.108   5.262
  Start of MODEL    3
    1    HA   GLN 814           HA       GLN 814  -8.390  -8.640   2.830
    2    HB2  GLN 814           HB2      GLN 814 -10.023  -9.471   0.611
    3    HB3  GLN 814           HB1      GLN 814  -9.500 -10.425   1.991
    4    HG2  GLN 814           HG2      GLN 814 -11.891 -10.507   1.969
    5    HG3  GLN 814           HG1      GLN 814 -11.462  -9.420   3.283
    6   HE21  GLN 814          HE21      GLN 814 -13.906  -9.555   1.384
    7   HE22  GLN 814          HE22      GLN 814 -14.034  -7.968   0.794
    8    H    THR 815           HN       THR 815 -10.485  -6.531   0.969
    9    HA   THR 815           HA       THR 815  -8.628  -6.200  -1.213
   10    HB   THR 815           HB       THR 815 -10.233  -4.445  -1.935
   11   HG21  THR 815          HG21      THR 815 -10.635  -6.785  -2.539
   12   HG22  THR 815          HG22      THR 815 -12.164  -5.962  -2.233
   13   HG23  THR 815          HG23      THR 815 -11.489  -7.049  -1.020
   14    H    VAL 816           HN       VAL 816  -7.825  -3.952  -1.775
   15    HA   VAL 816           HA       VAL 816  -6.230  -2.980   0.337
   16    HB   VAL 816           HB       VAL 816  -5.846  -1.026  -1.270
   17   HG11  VAL 816          HG11      VAL 816  -4.315  -2.920  -1.146
   18   HG12  VAL 816          HG12      VAL 816  -4.550  -2.484  -2.836
   19   HG13  VAL 816          HG13      VAL 816  -5.380  -3.888  -2.166
   20   HG21  VAL 816          HG21      VAL 816  -7.414  -2.829  -3.150
   21   HG22  VAL 816          HG22      VAL 816  -6.659  -1.290  -3.546
   22   HG23  VAL 816          HG23      VAL 816  -8.051  -1.333  -2.468
   23    H    GLY 817           HN       GLY 817  -8.038  -2.778   1.875
   24    HA2  GLY 817           HA2      GLY 817  -8.843   0.006   2.133
   25    HA3  GLY 817           HA1      GLY 817 -10.170  -1.137   1.948
   26    H    GLN 818           HN       GLN 818 -10.371  -2.867   3.520
   27    HA   GLN 818           HA       GLN 818 -10.207  -2.041   6.170
   28    HB2  GLN 818           HB2      GLN 818 -11.566  -3.855   6.214
   29    HB3  GLN 818           HB1      GLN 818 -10.858  -4.529   4.757
   30    HG2  GLN 818           HG2      GLN 818  -9.325  -4.687   7.351
   31    HG3  GLN 818           HG1      GLN 818 -10.634  -5.814   7.042
   32   HE21  GLN 818          HE21      GLN 818  -8.251  -7.053   7.215
   33   HE22  GLN 818          HE22      GLN 818  -7.638  -7.467   5.688
   34    H    TRP 819           HN       TRP 819  -7.981  -3.984   4.263
   35    HA   TRP 819           HA       TRP 819  -6.074  -4.663   6.153
   36    HB2  TRP 819           HB2      TRP 819  -5.971  -5.437   3.842
   37    HB3  TRP 819           HB1      TRP 819  -5.687  -3.794   3.276
   38    HD1  TRP 819           HD1      TRP 819  -4.026  -6.162   5.868
   39    H    LEU 820           HN       LEU 820  -6.124  -1.742   4.118
   40    HA   LEU 820           HA       LEU 820  -3.959  -0.403   5.254
   41    HB2  LEU 820           HB2      LEU 820  -6.478   0.780   4.087
   42    HB3  LEU 820           HB1      LEU 820  -4.950   1.631   4.321
   43    HG   LEU 820           HG       LEU 820  -5.031  -0.931   2.733
   44   HD11  LEU 820          HD11      LEU 820  -5.610   0.164   0.755
   45   HD12  LEU 820          HD12      LEU 820  -5.275   1.761   1.426
   46   HD13  LEU 820          HD13      LEU 820  -6.719   0.879   1.922
   47   HD21  LEU 820          HD21      LEU 820  -2.853   0.020   3.421
   48   HD22  LEU 820          HD22      LEU 820  -3.281   1.549   2.649
   49   HD23  LEU 820          HD23      LEU 820  -3.055   0.098   1.671
   50    H    GLU 821           HN       GLU 821  -7.402  -0.285   6.129
   51    HA   GLU 821           HA       GLU 821  -7.150   1.583   8.233
   52    H    SER 822           HN       SER 822  -6.881  -1.924   8.121
   53    HA   SER 822           HA       SER 822  -6.540  -2.486  10.826
   54    HB2  SER 822           HB2      SER 822  -4.923  -3.887   8.711
   55    HB3  SER 822           HB1      SER 822  -5.653  -4.549  10.168
   56    HG   SER 822           HG       SER 822  -7.021  -3.527   7.868
   57    H    ILE 823           HN       ILE 823  -4.239  -1.271   8.445
   58    HA   ILE 823           HA       ILE 823  -2.160  -1.142  10.518
   59    HB   ILE 823           HB       ILE 823  -0.675  -0.407   8.624
   60   HG12  ILE 823          HG11      ILE 823  -3.136  -1.127   6.995
   61   HG21  ILE 823          HG21      ILE 823  -0.161  -2.593   8.549
   62   HG22  ILE 823          HG22      ILE 823  -1.535  -2.900   7.488
   63   HG23  ILE 823          HG23      ILE 823  -1.736  -2.985   9.237
   64   HD11  ILE 823          HD11      ILE 823  -1.499  -0.337   5.117
   65   HD12  ILE 823          HD12      ILE 823  -1.364  -1.981   5.736
   66   HD13  ILE 823          HD13      ILE 823  -0.239  -0.738   6.283
   67    H    GLY 824           HN       GLY 824  -4.691   0.584  10.031
   68    HA2  GLY 824           HA2      GLY 824  -5.315   2.749  10.463
   69    HA3  GLY 824           HA1      GLY 824  -3.765   2.905  11.275
   70    H    LEU 825           HN       LEU 825  -4.405   2.285   7.846
   71    HA   LEU 825           HA       LEU 825  -3.108   4.878   7.256
   72    HB2  LEU 825           HB2      LEU 825  -2.810   2.210   5.901
   73    HB3  LEU 825           HB1      LEU 825  -2.386   3.714   5.099
   74    HG   LEU 825           HG       LEU 825  -1.340   3.212   7.871
   75   HD11  LEU 825          HD11      LEU 825   0.718   2.406   6.226
   76   HD12  LEU 825          HD12      LEU 825  -0.686   1.633   5.495
   77   HD13  LEU 825          HD13      LEU 825  -0.299   1.340   7.190
   78   HD21  LEU 825          HD21      LEU 825  -1.080   5.401   6.591
   79   HD22  LEU 825          HD22      LEU 825  -0.044   4.522   5.466
   80   HD23  LEU 825          HD23      LEU 825   0.422   4.677   7.158
   81    HA   PRO 826           HA       PRO 826  -7.405   4.829   5.455
   82    HB2  PRO 826           HB2      PRO 826  -8.129   7.262   6.426
   83    HB3  PRO 826           HB1      PRO 826  -8.320   5.754   7.341
   84    HG2  PRO 826           HG2      PRO 826  -6.201   7.834   7.567
   85    HG3  PRO 826           HG1      PRO 826  -7.038   6.931   8.842
   86    HD2  PRO 826           HD2      PRO 826  -4.532   6.278   8.007
   87    HD3  PRO 826           HD1      PRO 826  -5.686   5.074   8.625
   88    H    GLN 827           HN       GLN 827  -8.303   6.382   3.877
   89    HA   GLN 827           HA       GLN 827  -8.209   7.820   2.108
   90    HB2  GLN 827           HB2      GLN 827  -5.740   9.003   3.402
   91    HB3  GLN 827           HB1      GLN 827  -6.754   9.745   2.169
   92    HG2  GLN 827           HG2      GLN 827  -8.658   9.791   3.699
   93    HG3  GLN 827           HG1      GLN 827  -7.718   8.961   4.936
   94   HE21  GLN 827          HE21      GLN 827  -6.582  10.280   6.359
   95   HE22  GLN 827          HE22      GLN 827  -6.262  11.927   6.103
   96    H    TYR 828           HN       TYR 828  -5.911   5.530   2.771
   97    HA   TYR 828           HA       TYR 828  -4.461   6.015   0.258
   98    HB2  TYR 828           HB2      TYR 828  -3.836   4.098   2.511
   99    HB3  TYR 828           HB1      TYR 828  -2.860   4.337   1.066
  100    HH   TYR 828           HH       TYR 828  -1.455   9.514   4.980
  101    H    GLU 829           HN       GLU 829  -7.121   4.417   1.328
  102    HA   GLU 829           HA       GLU 829  -6.808   1.970  -0.152
  103    H    ASN 830           HN       ASN 830  -8.476   5.042  -0.646
  104    HA   ASN 830           HA       ASN 830  -9.341   4.552  -3.291
  105    HB2  ASN 830           HB2      ASN 830  -8.737   7.077  -1.757
  106    HB3  ASN 830           HB1      ASN 830  -9.238   7.115  -3.445
  107   HD21  ASN 830          HD21      ASN 830 -10.286   6.022  -0.211
  108   HD22  ASN 830          HD22      ASN 830 -11.945   6.008  -0.588
  109    H    HIS 831           HN       HIS 831  -6.324   5.647  -1.901
  110    HA   HIS 831           HA       HIS 831  -5.011   6.543  -4.213
  111    HB2  HIS 831           HB2      HIS 831  -4.115   5.413  -1.589
  112    HB3  HIS 831           HB1      HIS 831  -2.941   5.541  -2.888
  113    H    LEU 832           HN       LEU 832  -4.840   3.325  -2.667
  114    HA   LEU 832           HA       LEU 832  -3.477   2.094  -4.811
  115    HB2  LEU 832           HB2      LEU 832  -5.189   0.915  -2.616
  116    HB3  LEU 832           HB1      LEU 832  -4.167  -0.015  -3.702
  117    HG   LEU 832           HG       LEU 832  -2.834   2.272  -2.353
  118   HD11  LEU 832          HD11      LEU 832  -4.309   1.242  -0.579
  119   HD12  LEU 832          HD12      LEU 832  -2.581   1.183  -0.240
  120   HD13  LEU 832          HD13      LEU 832  -3.418  -0.262  -0.811
  121   HD21  LEU 832          HD21      LEU 832  -2.009  -0.630  -2.598
  122   HD22  LEU 832          HD22      LEU 832  -0.966   0.769  -2.351
  123   HD23  LEU 832          HD23      LEU 832  -1.775   0.534  -3.901
  124    H    MET 833           HN       MET 833  -6.902   2.306  -3.927
  125    HA   MET 833           HA       MET 833  -7.957   0.672  -5.949
  126    HB2  MET 833           HB2      MET 833  -9.013   2.332  -3.944
  127    HB3  MET 833           HB1      MET 833  -9.628   3.006  -5.449
  128    HG2  MET 833           HG2      MET 833 -11.218   1.400  -5.275
  129    HG3  MET 833           HG1      MET 833  -9.971   0.311  -5.877
  130    HE1  MET 833           HE1      MET 833 -11.529   0.859  -1.615
  131    HE2  MET 833           HE2      MET 833 -12.068   1.632  -3.102
  132    HE3  MET 833           HE3      MET 833 -10.567   2.152  -2.346
  133    H    ALA 834           HN       ALA 834  -7.431   4.188  -5.899
  134    HA   ALA 834           HA       ALA 834  -8.160   4.701  -8.571
  135    HB1  ALA 834           HB1      ALA 834  -6.892   6.782  -8.328
  136    HB2  ALA 834           HB2      ALA 834  -6.099   6.155  -6.885
  137    HB3  ALA 834           HB3      ALA 834  -7.832   6.480  -6.867
  138    H    ASN 835           HN       ASN 835  -5.092   3.843  -7.058
  139    HA   ASN 835           HA       ASN 835  -3.551   3.894  -9.461
  140    HB2  ASN 835           HB2      ASN 835  -2.593   3.986  -7.142
  141    HB3  ASN 835           HB1      ASN 835  -3.014   2.285  -6.957
  142   HD21  ASN 835          HD21      ASN 835  -1.010   4.508  -8.926
  143   HD22  ASN 835          HD22      ASN 835   0.099   3.316  -9.411
  144    H    GLY 836           HN       GLY 836  -6.100   2.012  -8.618
  145    HA2  GLY 836           HA2      GLY 836  -6.971   0.051  -9.396
  146    HA3  GLY 836           HA1      GLY 836  -5.847   0.213 -10.743
  147    H    PHE 837           HN       PHE 837  -4.695   0.092  -7.468
  148    HA   PHE 837           HA       PHE 837  -3.486  -2.532  -8.057
  149    HB2  PHE 837           HB2      PHE 837  -2.252  -0.224  -7.236
  150    HB3  PHE 837           HB1      PHE 837  -2.501  -1.052  -5.703
  151    HZ   PHE 837           HZ       PHE 837   1.766  -4.439  -7.854
  152    H    ASP 838           HN       ASP 838  -5.004  -3.970  -7.375
  153    HA   ASP 838           HA       ASP 838  -5.916  -3.745  -4.574
  154    H    ASN 839           HN       ASN 839  -6.446  -6.044  -3.727
  155    HA   ASN 839           HA       ASN 839  -5.688  -8.084  -3.002
  156    HB2  ASN 839           HB2      ASN 839  -5.582  -8.574  -5.495
  157    HB3  ASN 839           HB1      ASN 839  -3.864  -8.197  -5.398
  158   HD21  ASN 839          HD21      ASN 839  -5.520 -10.850  -5.706
  159   HD22  ASN 839          HD22      ASN 839  -4.778 -11.881  -4.580
  160    H    VAL 840           HN       VAL 840  -4.773  -6.883  -1.290
  161    HA   VAL 840           HA       VAL 840  -2.260  -5.748  -1.207
  162    HB   VAL 840           HB       VAL 840  -2.354  -6.199   1.257
  163   HG11  VAL 840          HG11      VAL 840  -3.417  -4.219   0.364
  164   HG12  VAL 840          HG12      VAL 840  -4.488  -4.916   1.581
  165   HG13  VAL 840          HG13      VAL 840  -4.834  -5.146  -0.131
  166   HG21  VAL 840          HG21      VAL 840  -3.645  -8.440   0.839
  167   HG22  VAL 840          HG22      VAL 840  -5.071  -7.409   0.721
  168   HG23  VAL 840          HG23      VAL 840  -4.129  -7.443   2.210
  169    H    GLN 841           HN       GLN 841  -3.170  -9.141  -0.957
  170    HA   GLN 841           HA       GLN 841  -0.644 -10.158  -0.143
  171    HB2  GLN 841           HB2      GLN 841  -2.450 -11.690  -2.000
  172    HB3  GLN 841           HB1      GLN 841  -1.468 -12.284  -0.666
  173    HG2  GLN 841           HG2      GLN 841  -3.013 -10.918   0.869
  174    HG3  GLN 841           HG1      GLN 841  -4.081 -10.772  -0.528
  175   HE21  GLN 841          HE21      GLN 841  -4.808 -12.230   1.873
  176   HE22  GLN 841          HE22      GLN 841  -4.970 -13.864   1.438
  177    H    PHE 842           HN       PHE 842  -2.169  -9.999  -3.343
  178    HA   PHE 842           HA       PHE 842   0.052 -10.754  -4.856
  179    HB2  PHE 842           HB2      PHE 842  -2.429 -10.288  -5.567
  180    HB3  PHE 842           HB1      PHE 842  -1.847  -8.648  -5.856
  181    HZ   PHE 842           HZ       PHE 842   0.502 -11.289 -10.507
  182    H    MET 843           HN       MET 843  -1.012  -7.558  -3.753
  183    HA   MET 843           HA       MET 843   0.952  -5.978  -4.971
  184    HB2  MET 843           HB2      MET 843  -0.879  -5.719  -2.681
  185    HB3  MET 843           HB1      MET 843   0.575  -4.734  -2.555
  186    HG2  MET 843           HG2      MET 843   0.089  -3.962  -4.944
  187    HG3  MET 843           HG1      MET 843  -1.495  -4.719  -4.757
  188    HE1  MET 843           HE1      MET 843   1.139  -2.698  -3.338
  189    HE2  MET 843           HE2      MET 843   0.447  -1.679  -2.082
  190    HE3  MET 843           HE3      MET 843   0.413  -1.138  -3.758
  191    H    GLY 844           HN       GLY 844   0.965  -7.293  -1.655
  192    HA2  GLY 844           HA2      GLY 844   3.572  -6.530  -0.987
  193    HA3  GLY 844           HA1      GLY 844   2.699  -7.880  -0.260
  194    H    SER 845           HN       SER 845   2.347  -9.234  -2.790
  195    HA   SER 845           HA       SER 845   5.017 -10.424  -2.966
  196    HB2  SER 845           HB2      SER 845   2.661 -11.605  -4.338
  197    HB3  SER 845           HB1      SER 845   4.010 -12.379  -3.519
  198    HG   SER 845           HG       SER 845   1.829 -10.960  -2.323
  199    H    ASN 846           HN       ASN 846   4.090  -7.871  -4.346
  200    HA   ASN 846           HA       ASN 846   4.898  -8.738  -7.064
  201    HB2  ASN 846           HB2      ASN 846   2.525  -7.169  -6.274
  202    HB3  ASN 846           HB1      ASN 846   3.431  -6.549  -7.646
  203   HD21  ASN 846          HD21      ASN 846   1.647  -9.370  -6.473
  204   HD22  ASN 846          HD22      ASN 846   1.445 -10.084  -8.002
  205    H    VAL 847           HN       VAL 847   4.489  -5.800  -5.074
  206    HA   VAL 847           HA       VAL 847   7.231  -5.085  -5.659
  207    HB   VAL 847           HB       VAL 847   6.032  -4.263  -7.649
  208   HG11  VAL 847          HG11      VAL 847   4.601  -2.275  -5.902
  209   HG12  VAL 847          HG12      VAL 847   3.877  -3.849  -6.228
  210   HG13  VAL 847          HG13      VAL 847   4.246  -2.755  -7.560
  211   HG21  VAL 847          HG21      VAL 847   6.836  -1.922  -7.520
  212   HG22  VAL 847          HG22      VAL 847   8.007  -3.030  -6.808
  213   HG23  VAL 847          HG23      VAL 847   6.961  -2.063  -5.768
  214    H    MET 848           HN       MET 848   8.099  -4.155  -3.946
  215    HA   MET 848           HA       MET 848   6.456  -2.426  -2.262
  216    HB2  MET 848           HB2      MET 848   7.688  -3.569  -0.241
  217    HB3  MET 848           HB1      MET 848   6.216  -4.281  -0.896
  218    HG2  MET 848           HG2      MET 848   7.447  -5.924  -2.131
  219    HG3  MET 848           HG1      MET 848   8.976  -5.097  -1.837
  220    HE1  MET 848           HE1      MET 848   6.389  -7.695   0.713
  221    HE2  MET 848           HE2      MET 848   5.918  -6.511  -0.499
  222    HE3  MET 848           HE3      MET 848   6.105  -6.012   1.179
  223    H    GLU 849           HN       GLU 849   7.543  -0.605  -2.734
  224    HA   GLU 849           HA       GLU 849  10.204  -0.304  -1.637
  225    H    ASP 850           HN       ASP 850  10.910   2.082  -2.576
  226    HA   ASP 850           HA       ASP 850   9.031   3.848  -1.344
  227    H    GLN 851           HN       GLN 851  10.367   3.636  -4.587
  228    HA   GLN 851           HA       GLN 851   9.020   5.659  -5.832
  229    HB2  GLN 851           HB2      GLN 851   9.307   3.081  -7.324
  230    HB3  GLN 851           HB1      GLN 851   9.650   4.728  -7.849
  231    HG2  GLN 851           HG2      GLN 851  11.543   4.736  -6.126
  232    HG3  GLN 851           HG1      GLN 851  11.287   2.998  -5.985
  233   HE21  GLN 851          HE21      GLN 851  12.189   5.547  -8.309
  234   HE22  GLN 851          HE22      GLN 851  12.976   4.496  -9.385
  235    H    ASP 852           HN       ASP 852   7.852   2.284  -5.683
  236    HA   ASP 852           HA       ASP 852   5.433   2.748  -7.011
  237    H    LEU 853           HN       LEU 853   6.042   2.626  -3.515
  238    HA   LEU 853           HA       LEU 853   3.450   3.302  -2.694
  239    HB2  LEU 853           HB2      LEU 853   6.156   3.712  -1.444
  240    HB3  LEU 853           HB1      LEU 853   4.687   4.278  -0.649
  241    HG   LEU 853           HG       LEU 853   5.029   1.429  -1.624
  242   HD11  LEU 853          HD11      LEU 853   6.223   2.746   0.655
  243   HD12  LEU 853          HD12      LEU 853   6.435   1.092   0.089
  244   HD13  LEU 853          HD13      LEU 853   5.112   1.486   1.186
  245   HD21  LEU 853          HD21      LEU 853   2.810   2.927  -0.655
  246   HD22  LEU 853          HD22      LEU 853   3.279   1.834   0.646
  247   HD23  LEU 853          HD23      LEU 853   2.887   1.191  -0.947
  248    H    LEU 854           HN       LEU 854   6.198   5.314  -3.582
  249    HA   LEU 854           HA       LEU 854   4.960   7.822  -3.018
  250    HB2  LEU 854           HB2      LEU 854   7.486   6.995  -3.889
  251    HB3  LEU 854           HB1      LEU 854   6.837   7.900  -5.252
  252    HG   LEU 854           HG       LEU 854   6.817   8.941  -2.402
  253   HD11  LEU 854          HD11      LEU 854   8.798   9.350  -4.649
  254   HD12  LEU 854          HD12      LEU 854   9.121   8.727  -3.032
  255   HD13  LEU 854          HD13      LEU 854   8.685  10.422  -3.253
  256   HD21  LEU 854          HD21      LEU 854   5.143   9.970  -3.860
  257   HD22  LEU 854          HD22      LEU 854   6.356  10.233  -5.114
  258   HD23  LEU 854          HD23      LEU 854   6.457  11.114  -3.591
  259    H    GLU 855           HN       GLU 855   5.307   5.886  -5.957
  260    HA   GLU 855           HA       GLU 855   4.127   7.471  -7.843
  261    H    ILE 856           HN       ILE 856   2.436   5.297  -5.585
  262    HA   ILE 856           HA       ILE 856  -0.162   5.763  -6.483
  263    HB   ILE 856           HB       ILE 856   0.180   5.543  -3.536
  264   HG12  ILE 856          HG11      ILE 856   1.297   3.541  -5.521
  265   HG21  ILE 856          HG21      ILE 856  -1.954   5.254  -4.978
  266   HG22  ILE 856          HG22      ILE 856  -1.626   4.036  -3.741
  267   HG23  ILE 856          HG23      ILE 856  -1.261   3.696  -5.430
  268   HD11  ILE 856          HD11      ILE 856   0.191   3.059  -2.748
  269   HD12  ILE 856          HD12      ILE 856   1.391   1.994  -3.481
  270   HD13  ILE 856          HD13      ILE 856  -0.189   2.196  -4.238
  271    H    GLY 857           HN       GLY 857   1.901   7.681  -4.408
  272    HA2  GLY 857           HA2      GLY 857   1.755  10.026  -4.211
  273    HA3  GLY 857           HA1      GLY 857   0.072   9.955  -4.717
  274    H    ILE 858           HN       ILE 858   1.746   8.137  -2.178
  275    HA   ILE 858           HA       ILE 858  -0.368   8.664  -0.300
  276    HB   ILE 858           HB       ILE 858   2.316   7.503   0.427
  277   HG12  ILE 858          HG11      ILE 858   1.321   6.445  -1.727
  278   HG21  ILE 858          HG21      ILE 858  -0.515   7.303   1.425
  279   HG22  ILE 858          HG22      ILE 858   0.943   7.728   2.325
  280   HG23  ILE 858          HG23      ILE 858   0.667   6.060   1.819
  281   HD11  ILE 858          HD11      ILE 858  -0.571   4.954  -1.428
  282   HD12  ILE 858          HD12      ILE 858  -1.055   6.556  -0.872
  283   HD13  ILE 858          HD13      ILE 858  -0.634   5.307   0.298
  284    H    LEU 859           HN       LEU 859  -0.171   9.810   1.690
  285    HA   LEU 859           HA       LEU 859   1.638  12.110   1.499
  286    HB2  LEU 859           HB2      LEU 859  -1.013  11.605   2.730
  287    HB3  LEU 859           HB1      LEU 859   0.052  12.697   3.603
  288    HG   LEU 859           HG       LEU 859  -1.481  13.783   1.884
  289   HD11  LEU 859          HD11      LEU 859   0.771  14.678   2.822
  290   HD12  LEU 859          HD12      LEU 859   0.113  15.434   1.372
  291   HD13  LEU 859          HD13      LEU 859   1.424  14.264   1.236
  292   HD21  LEU 859          HD21      LEU 859   0.532  12.805  -0.138
  293   HD22  LEU 859          HD22      LEU 859  -1.057  13.517  -0.413
  294   HD23  LEU 859          HD23      LEU 859  -0.925  11.870   0.202
  295    H    ASN 860           HN       ASN 860   0.330  10.428   4.345
  296    HA   ASN 860           HA       ASN 860   2.377  11.066   6.094
  297    HB2  ASN 860           HB2      ASN 860   0.357  10.099   6.946
  298    HB3  ASN 860           HB1      ASN 860   0.614   8.610   6.037
  299   HD21  ASN 860          HD21      ASN 860   0.328   7.956   8.564
  300   HD22  ASN 860          HD22      ASN 860   1.796   7.753   9.393
  301    H    SER 861           HN       SER 861   4.449  10.859   5.481
  302    HA   SER 861           HA       SER 861   5.665   9.014   3.882
  303    HB2  SER 861           HB2      SER 861   7.186   9.743   6.322
  304    HB3  SER 861           HB1      SER 861   7.638   9.877   4.628
  305    HG   SER 861           HG       SER 861   7.262  11.930   5.570
  306    H    GLY 862           HN       GLY 862   4.716   8.617   7.239
  307    HA2  GLY 862           HA2      GLY 862   6.098   6.304   7.925
  308    HA3  GLY 862           HA1      GLY 862   4.503   6.731   8.541
  309    H    HIS 863           HN       HIS 863   3.385   6.751   5.775
  310    HA   HIS 863           HA       HIS 863   2.250   4.245   5.680
  311    HB2  HIS 863           HB2      HIS 863   1.478   4.744   3.492
  312    HB3  HIS 863           HB1      HIS 863   1.581   6.295   4.318
  313    H    ARG 864           HN       ARG 864   5.169   5.338   3.995
  314    HA   ARG 864           HA       ARG 864   5.671   3.079   2.494
  315    H    GLN 865           HN       GLN 865   6.960   3.750   5.711
  316    HA   GLN 865           HA       GLN 865   8.082   1.187   6.103
  317    HB2  GLN 865           HB2      GLN 865   8.927   2.918   7.476
  318    HB3  GLN 865           HB1      GLN 865   7.315   3.426   7.974
  319    HG2  GLN 865           HG2      GLN 865   7.875   0.617   8.644
  320    HG3  GLN 865           HG1      GLN 865   9.000   1.736   9.405
  321   HE21  GLN 865          HE21      GLN 865   7.244   3.971   9.773
  322   HE22  GLN 865          HE22      GLN 865   6.054   3.527  10.898
  323    H    ARG 866           HN       ARG 866   5.047   2.622   7.241
  324    HA   ARG 866           HA       ARG 866   4.095   0.389   8.634
  325    H    ILE 867           HN       ILE 867   3.417   1.416   5.295
  326    HA   ILE 867           HA       ILE 867   1.806  -0.795   4.631
  327    HB   ILE 867           HB       ILE 867   3.433   0.972   2.790
  328   HG12  ILE 867          HG11      ILE 867   1.509   1.839   4.510
  329   HG21  ILE 867          HG21      ILE 867   2.700  -1.019   1.622
  330   HG22  ILE 867          HG22      ILE 867   1.657   0.315   1.132
  331   HG23  ILE 867          HG23      ILE 867   1.078  -0.871   2.298
  332   HD11  ILE 867          HD11      ILE 867  -0.003   1.215   1.961
  333   HD12  ILE 867          HD12      ILE 867  -0.631   1.982   3.418
  334   HD13  ILE 867          HD13      ILE 867  -0.164   0.282   3.451
  335    H    LEU 868           HN       LEU 868   5.247  -0.144   3.783
  336    HA   LEU 868           HA       LEU 868   5.668  -2.518   2.421
  337    HB2  LEU 868           HB2      LEU 868   7.960  -2.092   2.507
  338    HB3  LEU 868           HB1      LEU 868   7.276  -0.488   2.723
  339    HG   LEU 868           HG       LEU 868   7.445  -1.070   5.291
  340   HD11  LEU 868          HD11      LEU 868   9.895  -2.489   4.956
  341   HD12  LEU 868          HD12      LEU 868   8.663  -3.376   4.065
  342   HD13  LEU 868          HD13      LEU 868   8.440  -3.038   5.780
  343   HD21  LEU 868          HD21      LEU 868   9.941  -0.533   3.652
  344   HD22  LEU 868          HD22      LEU 868   9.678  -0.084   5.334
  345   HD23  LEU 868          HD23      LEU 868   8.734   0.687   4.060
  346    H    GLN 869           HN       GLN 869   6.034  -1.903   5.857
  347    HA   GLN 869           HA       GLN 869   6.805  -4.546   6.564
  348    HB2  GLN 869           HB2      GLN 869   5.513  -2.291   8.100
  349    HB3  GLN 869           HB1      GLN 869   5.853  -3.854   8.836
  350    HG2  GLN 869           HG2      GLN 869   8.248  -3.606   8.116
  351    HG3  GLN 869           HG1      GLN 869   7.865  -1.972   7.576
  352   HE21  GLN 869          HE21      GLN 869   9.201  -0.941   9.192
  353   HE22  GLN 869          HE22      GLN 869   8.789  -0.973  10.839
  354    H    ALA 870           HN       ALA 870   3.698  -2.887   6.288
  355    HA   ALA 870           HA       ALA 870   2.082  -4.921   7.316
  356    HB1  ALA 870           HB1      ALA 870   1.276  -2.628   6.915
  357    HB2  ALA 870           HB2      ALA 870   0.230  -3.829   6.163
  358    HB3  ALA 870           HB3      ALA 870   1.362  -2.906   5.176
  359    H    ILE 871           HN       ILE 871   2.990  -4.274   3.894
  360    HA   ILE 871           HA       ILE 871   1.595  -6.583   2.963
  361    HB   ILE 871           HB       ILE 871   3.535  -6.190   1.045
  362   HG12  ILE 871          HG11      ILE 871   2.758  -3.463   2.101
  363   HG21  ILE 871          HG21      ILE 871   1.250  -6.385   0.449
  364   HG22  ILE 871          HG22      ILE 871   1.702  -4.755  -0.047
  365   HG23  ILE 871          HG23      ILE 871   0.788  -5.002   1.438
  366   HD11  ILE 871          HD11      ILE 871   4.824  -3.054   0.423
  367   HD12  ILE 871          HD12      ILE 871   3.150  -3.092  -0.126
  368   HD13  ILE 871          HD13      ILE 871   4.164  -4.521  -0.303
  369    H    GLN 872           HN       GLN 872   4.961  -5.985   3.875
  370    HA   GLN 872           HA       GLN 872   6.078  -8.418   3.113
  371    HB2  GLN 872           HB2      GLN 872   6.668  -6.541   5.392
  372    HB3  GLN 872           HB1      GLN 872   7.564  -8.049   5.206
  373    HG2  GLN 872           HG2      GLN 872   8.199  -7.406   2.913
  374    HG3  GLN 872           HG1      GLN 872   7.303  -5.902   3.076
  375   HE21  GLN 872          HE21      GLN 872   8.466  -6.249   6.106
  376   HE22  GLN 872          HE22      GLN 872   9.964  -5.469   5.946
  377    H    LEU 873           HN       LEU 873   3.952  -7.661   5.767
  378    HA   LEU 873           HA       LEU 873   4.346 -10.182   7.125
  379    HB2  LEU 873           HB2      LEU 873   2.977  -7.682   7.659
  380    HB3  LEU 873           HB1      LEU 873   1.933  -9.053   8.016
  381    HG   LEU 873           HG       LEU 873   3.312  -8.394   9.977
  382   HD11  LEU 873          HD11      LEU 873   4.485 -11.017   9.212
  383   HD12  LEU 873          HD12      LEU 873   2.728 -10.899   9.143
  384   HD13  LEU 873          HD13      LEU 873   3.574 -10.560  10.648
  385   HD21  LEU 873          HD21      LEU 873   5.795  -9.522   8.820
  386   HD22  LEU 873          HD22      LEU 873   5.579  -8.128   9.876
  387   HD23  LEU 873          HD23      LEU 873   5.318  -7.966   8.143
  388    H    LEU 874           HN       LEU 874   2.374  -9.069   4.522
  389    HA   LEU 874           HA       LEU 874   0.169 -10.822   4.846
  390    HB2  LEU 874           HB2      LEU 874   1.290  -9.520   2.354
  391    HB3  LEU 874           HB1      LEU 874  -0.235 -10.397   2.411
  392    HG   LEU 874           HG       LEU 874   0.427  -7.991   4.141
  393   HD11  LEU 874          HD11      LEU 874  -0.838  -6.668   2.671
  394   HD12  LEU 874          HD12      LEU 874  -1.581  -8.070   1.903
  395   HD13  LEU 874          HD13      LEU 874   0.105  -7.680   1.578
  396   HD21  LEU 874          HD21      LEU 874  -1.200  -9.293   5.290
  397   HD22  LEU 874          HD22      LEU 874  -2.023  -9.735   3.794
  398   HD23  LEU 874          HD23      LEU 874  -2.144  -8.091   4.413
  399    HA   PRO 875           HA       PRO 875   1.542 -14.833   3.653
  400    HB2  PRO 875           HB2      PRO 875  -0.645 -14.840   1.628
  401    HB3  PRO 875           HB1      PRO 875  -0.300 -16.005   2.922
  402    HG2  PRO 875           HG2      PRO 875  -2.316 -14.291   3.130
  403    HG3  PRO 875           HG1      PRO 875  -1.336 -14.734   4.538
  404    HD2  PRO 875           HD2      PRO 875  -1.315 -12.194   2.963
  405    HD3  PRO 875           HD1      PRO 875  -1.012 -12.454   4.698
  406    H    LYS 876           HN       LYS 876   2.753 -15.847   2.025
  407    HA   LYS 876           HA       LYS 876   3.526 -14.105  -0.205
  Start of MODEL    4
    1    HA   GLN 814           HA       GLN 814  -7.057 -10.394   4.164
    2    HB2  GLN 814           HB2      GLN 814  -8.555  -9.661   6.146
    3    HB3  GLN 814           HB1      GLN 814  -9.237  -8.474   5.042
    4    HG2  GLN 814           HG2      GLN 814  -9.306 -10.812   3.544
    5    HG3  GLN 814           HG1      GLN 814  -9.673 -11.371   5.175
    6   HE21  GLN 814          HE21      GLN 814 -11.917 -11.537   5.255
    7   HE22  GLN 814          HE22      GLN 814 -12.987 -10.317   4.759
    8    H    THR 815           HN       THR 815  -9.514  -8.378   3.330
    9    HA   THR 815           HA       THR 815  -8.510  -7.987   0.664
   10    HB   THR 815           HB       THR 815 -11.056  -6.791   1.728
   11   HG21  THR 815          HG21      THR 815 -11.120  -6.284  -0.474
   12   HG22  THR 815          HG22      THR 815 -11.530  -7.983  -0.700
   13   HG23  THR 815          HG23      THR 815  -9.859  -7.451  -0.877
   14    H    VAL 816           HN       VAL 816  -8.784  -5.781  -0.386
   15    HA   VAL 816           HA       VAL 816  -7.128  -3.912   0.900
   16    HB   VAL 816           HB       VAL 816  -8.224  -2.335  -0.910
   17   HG11  VAL 816          HG11      VAL 816  -6.800  -3.467  -2.665
   18   HG12  VAL 816          HG12      VAL 816  -6.556  -4.792  -1.531
   19   HG13  VAL 816          HG13      VAL 816  -5.969  -3.174  -1.139
   20   HG21  VAL 816          HG21      VAL 816  -9.627  -3.285  -2.460
   21   HG22  VAL 816          HG22      VAL 816 -10.024  -4.369  -1.129
   22   HG23  VAL 816          HG23      VAL 816  -8.853  -4.864  -2.352
   23    H    GLY 817           HN       GLY 817  -7.828  -1.643   1.450
   24    HA2  GLY 817           HA2      GLY 817  -9.190  -0.187   2.641
   25    HA3  GLY 817           HA1      GLY 817 -10.546  -1.291   2.392
   26    H    GLN 818           HN       GLN 818 -10.301  -3.459   3.548
   27    HA   GLN 818           HA       GLN 818 -10.161  -3.158   6.339
   28    HB2  GLN 818           HB2      GLN 818 -11.230  -5.107   5.254
   29    HB3  GLN 818           HB1      GLN 818  -9.656  -5.664   4.691
   30    HG2  GLN 818           HG2      GLN 818  -9.894  -5.124   7.613
   31    HG3  GLN 818           HG1      GLN 818 -10.780  -6.517   7.004
   32   HE21  GLN 818          HE21      GLN 818  -8.780  -7.199   8.691
   33   HE22  GLN 818          HE22      GLN 818  -7.420  -7.787   7.865
   34    H    TRP 819           HN       TRP 819  -7.783  -4.084   3.956
   35    HA   TRP 819           HA       TRP 819  -5.639  -4.750   5.640
   36    HB2  TRP 819           HB2      TRP 819  -5.770  -5.155   3.181
   37    HB3  TRP 819           HB1      TRP 819  -5.539  -3.429   2.921
   38    HD1  TRP 819           HD1      TRP 819  -3.727  -6.207   4.942
   39    H    LEU 820           HN       LEU 820  -6.374  -1.686   3.980
   40    HA   LEU 820           HA       LEU 820  -4.368  -0.102   5.105
   41    HB2  LEU 820           HB2      LEU 820  -7.157   0.650   4.198
   42    HB3  LEU 820           HB1      LEU 820  -5.885   1.812   4.577
   43    HG   LEU 820           HG       LEU 820  -5.532  -0.404   2.537
   44   HD11  LEU 820          HD11      LEU 820  -6.186   2.499   1.996
   45   HD12  LEU 820          HD12      LEU 820  -7.365   1.188   1.908
   46   HD13  LEU 820          HD13      LEU 820  -5.987   1.209   0.811
   47   HD21  LEU 820          HD21      LEU 820  -3.949   1.987   3.450
   48   HD22  LEU 820          HD22      LEU 820  -3.775   1.414   1.792
   49   HD23  LEU 820          HD23      LEU 820  -3.398   0.341   3.137
   50    H    GLU 821           HN       GLU 821  -7.657  -0.783   6.216
   51    HA   GLU 821           HA       GLU 821  -7.577   0.823   8.551
   52    H    SER 822           HN       SER 822  -6.897  -2.608   7.982
   53    HA   SER 822           HA       SER 822  -6.234  -3.390  10.564
   54    HB2  SER 822           HB2      SER 822  -4.939  -4.322   7.990
   55    HB3  SER 822           HB1      SER 822  -4.910  -5.168   9.530
   56    HG   SER 822           HG       SER 822  -7.220  -4.476   7.991
   57    H    ILE 823           HN       ILE 823  -4.079  -2.100   8.031
   58    HA   ILE 823           HA       ILE 823  -1.832  -1.967   9.821
   59    HB   ILE 823           HB       ILE 823  -0.658  -0.901   7.994
   60   HG12  ILE 823          HG11      ILE 823  -3.369  -0.708   6.653
   61   HG21  ILE 823          HG21      ILE 823  -2.446  -3.233   7.395
   62   HG22  ILE 823          HG22      ILE 823  -0.688  -3.166   7.490
   63   HG23  ILE 823          HG23      ILE 823  -1.517  -2.540   6.069
   64   HD11  ILE 823          HD11      ILE 823  -2.021   0.637   4.970
   65   HD12  ILE 823          HD12      ILE 823  -1.672  -1.091   4.992
   66   HD13  ILE 823          HD13      ILE 823  -0.568   0.041   5.772
   67    H    GLY 824           HN       GLY 824  -4.602  -0.253   9.775
   68    HA2  GLY 824           HA2      GLY 824  -5.270   1.682  10.796
   69    HA3  GLY 824           HA1      GLY 824  -3.676   1.745  11.540
   70    H    LEU 825           HN       LEU 825  -4.413   1.790   8.076
   71    HA   LEU 825           HA       LEU 825  -3.589   4.622   7.974
   72    HB2  LEU 825           HB2      LEU 825  -2.458   2.348   6.345
   73    HB3  LEU 825           HB1      LEU 825  -2.372   4.019   5.802
   74    HG   LEU 825           HG       LEU 825  -1.322   3.031   8.473
   75   HD11  LEU 825          HD11      LEU 825   0.040   2.136   6.667
   76   HD12  LEU 825          HD12      LEU 825   0.914   3.456   7.443
   77   HD13  LEU 825          HD13      LEU 825   0.115   3.721   5.894
   78   HD21  LEU 825          HD21      LEU 825  -0.096   5.387   8.054
   79   HD22  LEU 825          HD22      LEU 825  -1.661   5.286   8.857
   80   HD23  LEU 825          HD23      LEU 825  -1.573   5.701   7.146
   81    HA   PRO 826           HA       PRO 826  -7.458   3.636   5.531
   82    HB2  PRO 826           HB2      PRO 826  -9.036   5.499   6.769
   83    HB3  PRO 826           HB1      PRO 826  -8.875   3.825   7.333
   84    HG2  PRO 826           HG2      PRO 826  -7.559   6.294   8.357
   85    HG3  PRO 826           HG1      PRO 826  -8.214   4.908   9.247
   86    HD2  PRO 826           HD2      PRO 826  -5.546   5.219   8.798
   87    HD3  PRO 826           HD1      PRO 826  -6.316   3.622   8.936
   88    H    GLN 827           HN       GLN 827  -8.695   5.241   4.196
   89    HA   GLN 827           HA       GLN 827  -8.893   7.051   2.818
   90    HB2  GLN 827           HB2      GLN 827  -6.776   8.447   4.473
   91    HB3  GLN 827           HB1      GLN 827  -7.973   9.180   3.415
   92    HG2  GLN 827           HG2      GLN 827  -9.558   9.148   5.019
   93    HG3  GLN 827           HG1      GLN 827  -9.245   7.461   5.404
   94   HE21  GLN 827          HE21      GLN 827  -6.594   7.566   6.337
   95   HE22  GLN 827          HE22      GLN 827  -6.527   8.546   7.722
   96    H    TYR 828           HN       TYR 828  -6.963   4.878   2.405
   97    HA   TYR 828           HA       TYR 828  -5.199   6.282   0.478
   98    HB2  TYR 828           HB2      TYR 828  -4.556   4.040   2.374
   99    HB3  TYR 828           HB1      TYR 828  -3.711   4.158   0.836
  100    HH   TYR 828           HH       TYR 828  -1.280   9.463   3.914
  101    H    GLU 829           HN       GLU 829  -7.747   4.204   0.910
  102    HA   GLU 829           HA       GLU 829  -7.314   2.110  -0.879
  103    H    ASN 830           HN       ASN 830  -9.117   5.114  -1.535
  104    HA   ASN 830           HA       ASN 830  -9.516   4.838  -4.234
  105    HB2  ASN 830           HB2      ASN 830 -10.494   6.780  -3.507
  106    HB3  ASN 830           HB1      ASN 830  -9.150   7.192  -2.449
  107   HD21  ASN 830          HD21      ASN 830  -9.912   6.958  -5.967
  108   HD22  ASN 830          HD22      ASN 830  -8.916   8.258  -6.411
  109    H    HIS 831           HN       HIS 831  -6.633   6.115  -2.633
  110    HA   HIS 831           HA       HIS 831  -5.160   6.616  -5.000
  111    HB2  HIS 831           HB2      HIS 831  -4.474   6.313  -2.100
  112    HB3  HIS 831           HB1      HIS 831  -3.181   6.284  -3.296
  113    H    LEU 832           HN       LEU 832  -5.172   3.868  -2.736
  114    HA   LEU 832           HA       LEU 832  -3.275   2.273  -4.000
  115    HB2  LEU 832           HB2      LEU 832  -5.486   1.880  -2.094
  116    HB3  LEU 832           HB1      LEU 832  -5.135   0.465  -3.069
  117    HG   LEU 832           HG       LEU 832  -2.625   1.012  -2.451
  118   HD11  LEU 832          HD11      LEU 832  -3.167   3.165  -1.362
  119   HD12  LEU 832          HD12      LEU 832  -2.392   2.040  -0.247
  120   HD13  LEU 832          HD13      LEU 832  -4.134   2.300  -0.168
  121   HD21  LEU 832          HD21      LEU 832  -2.815  -0.457  -0.508
  122   HD22  LEU 832          HD22      LEU 832  -3.935  -1.008  -1.751
  123   HD23  LEU 832          HD23      LEU 832  -4.534  -0.095  -0.365
  124    H    MET 833           HN       MET 833  -6.797   2.341  -4.424
  125    HA   MET 833           HA       MET 833  -6.922   0.481  -6.533
  126    HB2  MET 833           HB2      MET 833  -8.747   2.809  -5.899
  127    HB3  MET 833           HB1      MET 833  -9.121   1.493  -7.013
  128    HG2  MET 833           HG2      MET 833  -9.164  -0.120  -5.281
  129    HG3  MET 833           HG1      MET 833  -8.329   0.940  -4.151
  130    HE1  MET 833           HE1      MET 833 -10.881   2.736  -6.397
  131    HE2  MET 833           HE2      MET 833 -12.433   2.136  -5.827
  132    HE3  MET 833           HE3      MET 833 -11.307   1.028  -6.600
  133    H    ALA 834           HN       ALA 834  -6.905   4.036  -6.587
  134    HA   ALA 834           HA       ALA 834  -6.936   4.472  -9.312
  135    HB1  ALA 834           HB1      ALA 834  -5.704   6.577  -8.847
  136    HB2  ALA 834           HB2      ALA 834  -5.381   6.002  -7.213
  137    HB3  ALA 834           HB3      ALA 834  -7.039   6.316  -7.725
  138    H    ASN 835           HN       ASN 835  -4.072   4.003  -7.261
  139    HA   ASN 835           HA       ASN 835  -2.211   4.046  -9.412
  140    HB2  ASN 835           HB2      ASN 835  -1.347   4.441  -7.242
  141    HB3  ASN 835           HB1      ASN 835  -2.065   2.964  -6.603
  142   HD21  ASN 835          HD21      ASN 835   0.688   4.261  -8.325
  143   HD22  ASN 835          HD22      ASN 835   1.534   2.796  -8.455
  144    H    GLY 836           HN       GLY 836  -4.250   1.586  -8.046
  145    HA2  GLY 836           HA2      GLY 836  -4.895  -0.315  -9.345
  146    HA3  GLY 836           HA1      GLY 836  -3.319  -0.286 -10.125
  147    H    PHE 837           HN       PHE 837  -3.866   0.025  -6.653
  148    HA   PHE 837           HA       PHE 837  -1.982  -2.040  -6.053
  149    HB2  PHE 837           HB2      PHE 837  -3.796  -0.278  -4.483
  150    HB3  PHE 837           HB1      PHE 837  -3.266  -1.760  -3.708
  151    HZ   PHE 837           HZ       PHE 837   1.729   1.258  -3.390
  152    H    ASP 838           HN       ASP 838  -2.525  -4.018  -6.821
  153    HA   ASP 838           HA       ASP 838  -5.178  -5.089  -6.710
  154    H    ASN 839           HN       ASN 839  -5.376  -7.405  -5.667
  155    HA   ASN 839           HA       ASN 839  -5.826  -7.299  -3.047
  156    HB2  ASN 839           HB2      ASN 839  -6.232  -9.351  -4.293
  157    HB3  ASN 839           HB1      ASN 839  -4.502  -9.657  -4.412
  158   HD21  ASN 839          HD21      ASN 839  -6.130 -11.595  -3.181
  159   HD22  ASN 839          HD22      ASN 839  -5.816 -11.627  -1.511
  160    H    VAL 840           HN       VAL 840  -4.731  -6.560  -1.391
  161    HA   VAL 840           HA       VAL 840  -2.108  -5.850  -1.264
  162    HB   VAL 840           HB       VAL 840  -2.335  -5.925   1.198
  163   HG11  VAL 840          HG11      VAL 840  -4.545  -4.848  -0.545
  164   HG12  VAL 840          HG12      VAL 840  -3.245  -3.975   0.262
  165   HG13  VAL 840          HG13      VAL 840  -4.595  -4.610   1.200
  166   HG21  VAL 840          HG21      VAL 840  -4.724  -6.645   1.964
  167   HG22  VAL 840          HG22      VAL 840  -3.541  -7.913   1.667
  168   HG23  VAL 840          HG23      VAL 840  -4.775  -7.561   0.460
  169    H    GLN 841           HN       GLN 841  -3.490  -9.013  -0.518
  170    HA   GLN 841           HA       GLN 841  -1.142 -10.232   0.484
  171    HB2  GLN 841           HB2      GLN 841  -3.359 -11.555  -1.102
  172    HB3  GLN 841           HB1      GLN 841  -2.230 -12.344  -0.003
  173    HG2  GLN 841           HG2      GLN 841  -3.450 -11.783   1.816
  174    HG3  GLN 841           HG1      GLN 841  -3.616 -10.112   1.290
  175   HE21  GLN 841          HE21      GLN 841  -5.883  -9.821   1.522
  176   HE22  GLN 841          HE22      GLN 841  -7.032 -10.779   0.719
  177    H    PHE 842           HN       PHE 842  -2.509 -10.022  -2.774
  178    HA   PHE 842           HA       PHE 842  -0.425 -11.393  -4.117
  179    HB2  PHE 842           HB2      PHE 842  -2.382 -11.086  -5.402
  180    HB3  PHE 842           HB1      PHE 842  -2.502  -9.378  -4.987
  181    HZ   PHE 842           HZ       PHE 842   0.978  -8.897  -9.655
  182    H    MET 843           HN       MET 843  -1.056  -7.939  -3.568
  183    HA   MET 843           HA       MET 843   1.206  -6.833  -4.737
  184    HB2  MET 843           HB2      MET 843  -0.392  -6.044  -2.310
  185    HB3  MET 843           HB1      MET 843   0.997  -5.101  -2.834
  186    HG2  MET 843           HG2      MET 843  -1.087  -5.840  -4.866
  187    HG3  MET 843           HG1      MET 843  -1.428  -4.529  -3.741
  188    HE1  MET 843           HE1      MET 843   1.910  -3.242  -3.514
  189    HE2  MET 843           HE2      MET 843   0.239  -2.947  -3.041
  190    HE3  MET 843           HE3      MET 843   1.012  -1.890  -4.219
  191    H    GLY 844           HN       GLY 844   0.826  -7.811  -1.337
  192    HA2  GLY 844           HA2      GLY 844   3.469  -7.404  -0.519
  193    HA3  GLY 844           HA1      GLY 844   2.348  -8.541   0.227
  194    H    SER 845           HN       SER 845   2.019  -9.971  -2.340
  195    HA   SER 845           HA       SER 845   4.508 -11.540  -2.203
  196    HB2  SER 845           HB2      SER 845   2.003 -12.441  -3.574
  197    HB3  SER 845           HB1      SER 845   3.280 -13.395  -2.833
  198    HG   SER 845           HG       SER 845   1.354 -11.732  -1.517
  199    H    ASN 846           HN       ASN 846   3.663  -9.011  -3.855
  200    HA   ASN 846           HA       ASN 846   4.569 -10.111  -6.452
  201    HB2  ASN 846           HB2      ASN 846   2.306  -9.578  -6.806
  202    HB3  ASN 846           HB1      ASN 846   2.422  -8.092  -5.872
  203   HD21  ASN 846          HD21      ASN 846   3.849  -9.574  -8.833
  204   HD22  ASN 846          HD22      ASN 846   3.954  -8.104  -9.676
  205    H    VAL 847           HN       VAL 847   4.285  -7.016  -4.655
  206    HA   VAL 847           HA       VAL 847   7.044  -6.432  -5.370
  207    HB   VAL 847           HB       VAL 847   5.786  -5.671  -7.338
  208   HG11  VAL 847          HG11      VAL 847   3.662  -5.199  -6.002
  209   HG12  VAL 847          HG12      VAL 847   4.097  -3.987  -7.205
  210   HG13  VAL 847          HG13      VAL 847   4.422  -3.689  -5.501
  211   HG21  VAL 847          HG21      VAL 847   7.740  -4.315  -6.021
  212   HG22  VAL 847          HG22      VAL 847   6.470  -3.092  -6.021
  213   HG23  VAL 847          HG23      VAL 847   7.040  -3.772  -7.542
  214    H    MET 848           HN       MET 848   8.045  -5.058  -4.025
  215    HA   MET 848           HA       MET 848   6.487  -3.469  -2.145
  216    HB2  MET 848           HB2      MET 848   8.188  -4.215  -0.328
  217    HB3  MET 848           HB1      MET 848   6.855  -5.301  -0.710
  218    HG2  MET 848           HG2      MET 848   8.216  -6.817  -1.812
  219    HG3  MET 848           HG1      MET 848   9.408  -5.597  -2.256
  220    HE1  MET 848           HE1      MET 848  11.217  -4.812  -1.070
  221    HE2  MET 848           HE2      MET 848  11.711  -5.148   0.585
  222    HE3  MET 848           HE3      MET 848  10.345  -4.081   0.286
  223    H    GLU 849           HN       GLU 849   7.162  -1.517  -2.851
  224    HA   GLU 849           HA       GLU 849   9.994  -0.880  -2.578
  225    H    ASP 850           HN       ASP 850  10.362   1.479  -2.892
  226    HA   ASP 850           HA       ASP 850   8.458   2.975  -1.360
  227    H    GLN 851           HN       GLN 851   9.554   3.017  -4.701
  228    HA   GLN 851           HA       GLN 851   8.211   5.190  -5.689
  229    HB2  GLN 851           HB2      GLN 851   8.516   2.552  -7.130
  230    HB3  GLN 851           HB1      GLN 851   8.280   4.134  -7.870
  231    HG2  GLN 851           HG2      GLN 851  10.618   3.523  -6.046
  232    HG3  GLN 851           HG1      GLN 851  10.692   3.309  -7.790
  233   HE21  GLN 851          HE21      GLN 851  10.864   5.630  -5.228
  234   HE22  GLN 851          HE22      GLN 851  11.007   7.007  -6.217
  235    H    ASP 852           HN       ASP 852   6.888   1.890  -5.393
  236    HA   ASP 852           HA       ASP 852   4.383   2.383  -6.523
  237    H    LEU 853           HN       LEU 853   5.391   2.575  -3.131
  238    HA   LEU 853           HA       LEU 853   2.907   3.532  -2.142
  239    HB2  LEU 853           HB2      LEU 853   5.585   4.157  -0.937
  240    HB3  LEU 853           HB1      LEU 853   4.044   3.964  -0.111
  241    HG   LEU 853           HG       LEU 853   5.717   1.804  -1.420
  242   HD11  LEU 853          HD11      LEU 853   5.310   0.819   0.945
  243   HD12  LEU 853          HD12      LEU 853   4.862   2.465   1.387
  244   HD13  LEU 853          HD13      LEU 853   6.479   2.126   0.772
  245   HD21  LEU 853          HD21      LEU 853   3.538   1.155  -2.040
  246   HD22  LEU 853          HD22      LEU 853   2.820   1.815  -0.570
  247   HD23  LEU 853          HD23      LEU 853   3.768   0.330  -0.500
  248    H    LEU 854           HN       LEU 854   5.937   5.186  -2.978
  249    HA   LEU 854           HA       LEU 854   5.068   7.807  -2.533
  250    HB2  LEU 854           HB2      LEU 854   7.409   6.785  -3.349
  251    HB3  LEU 854           HB1      LEU 854   6.788   7.312  -4.914
  252    HG   LEU 854           HG       LEU 854   6.191   9.511  -3.454
  253   HD11  LEU 854          HD11      LEU 854   8.787   8.517  -2.251
  254   HD12  LEU 854          HD12      LEU 854   7.235   8.436  -1.418
  255   HD13  LEU 854          HD13      LEU 854   7.922  10.000  -1.853
  256   HD21  LEU 854          HD21      LEU 854   7.417   9.960  -5.356
  257   HD22  LEU 854          HD22      LEU 854   8.579   8.673  -5.040
  258   HD23  LEU 854          HD23      LEU 854   8.689  10.196  -4.161
  259    H    GLU 855           HN       GLU 855   4.650   5.681  -5.319
  260    HA   GLU 855           HA       GLU 855   3.561   7.478  -7.146
  261    H    ILE 856           HN       ILE 856   1.890   5.543  -4.646
  262    HA   ILE 856           HA       ILE 856  -0.639   6.817  -5.233
  263    HB   ILE 856           HB       ILE 856  -1.346   5.744  -3.013
  264   HG12  ILE 856          HG11      ILE 856   1.338   4.374  -3.370
  265   HG21  ILE 856          HG21      ILE 856  -1.445   3.503  -4.047
  266   HG22  ILE 856          HG22      ILE 856  -0.257   4.019  -5.245
  267   HG23  ILE 856          HG23      ILE 856  -1.851   4.779  -5.194
  268   HD11  ILE 856          HD11      ILE 856   0.701   3.171  -1.322
  269   HD12  ILE 856          HD12      ILE 856  -0.494   2.893  -2.589
  270   HD13  ILE 856          HD13      ILE 856  -0.840   4.029  -1.286
  271    H    GLY 857           HN       GLY 857   2.002   8.149  -4.150
  272    HA2  GLY 857           HA2      GLY 857   2.484  10.082  -3.035
  273    HA3  GLY 857           HA1      GLY 857   0.765  10.437  -3.123
  274    H    ILE 858           HN       ILE 858   2.426   7.776  -1.430
  275    HA   ILE 858           HA       ILE 858   0.892   7.914   0.883
  276    HB   ILE 858           HB       ILE 858   3.722   6.957   0.407
  277   HG12  ILE 858          HG11      ILE 858   1.955   5.545  -0.510
  278   HG21  ILE 858          HG21      ILE 858   4.029   7.335   2.638
  279   HG22  ILE 858          HG22      ILE 858   3.101   5.842   2.784
  280   HG23  ILE 858          HG23      ILE 858   2.298   7.399   2.969
  281   HD11  ILE 858          HD11      ILE 858   0.373   4.537   1.371
  282   HD12  ILE 858          HD12      ILE 858  -0.050   6.042   0.560
  283   HD13  ILE 858          HD13      ILE 858   0.694   6.080   2.161
  284    H    LEU 859           HN       LEU 859   0.667   9.410   2.378
  285    HA   LEU 859           HA       LEU 859   1.611  11.916   2.369
  286    HB2  LEU 859           HB2      LEU 859   0.818  10.214   4.716
  287    HB3  LEU 859           HB1      LEU 859   1.290  11.898   4.930
  288    HG   LEU 859           HG       LEU 859  -0.836  11.036   2.944
  289   HD11  LEU 859          HD11      LEU 859  -1.376  12.296   5.632
  290   HD12  LEU 859          HD12      LEU 859  -1.338  10.545   5.440
  291   HD13  LEU 859          HD13      LEU 859  -2.513  11.508   4.542
  292   HD21  LEU 859          HD21      LEU 859  -0.120  13.181   2.334
  293   HD22  LEU 859          HD22      LEU 859   0.229  13.649   3.999
  294   HD23  LEU 859          HD23      LEU 859  -1.440  13.547   3.442
  295    H    ASN 860           HN       ASN 860   3.001   9.765   4.858
  296    HA   ASN 860           HA       ASN 860   5.577  11.149   4.405
  297    HB2  ASN 860           HB2      ASN 860   6.003  11.054   6.793
  298    HB3  ASN 860           HB1      ASN 860   4.491  11.894   6.479
  299   HD21  ASN 860          HD21      ASN 860   3.283  11.347   8.341
  300   HD22  ASN 860          HD22      ASN 860   2.964   9.751   8.823
  301    H    SER 861           HN       SER 861   7.365   9.942   5.662
  302    HA   SER 861           HA       SER 861   7.842   7.496   4.366
  303    HB2  SER 861           HB2      SER 861   9.214   8.391   6.887
  304    HB3  SER 861           HB1      SER 861   9.871   7.441   5.562
  305    HG   SER 861           HG       SER 861  10.580   9.435   5.129
  306    H    GLY 862           HN       GLY 862   6.669   8.272   7.616
  307    HA2  GLY 862           HA2      GLY 862   6.754   5.740   8.779
  308    HA3  GLY 862           HA1      GLY 862   5.539   6.969   9.144
  309    H    HIS 863           HN       HIS 863   4.171   7.275   6.891
  310    HA   HIS 863           HA       HIS 863   2.445   5.043   6.748
  311    HB2  HIS 863           HB2      HIS 863   2.866   7.401   4.904
  312    HB3  HIS 863           HB1      HIS 863   1.625   6.178   4.621
  313    H    ARG 864           HN       ARG 864   4.944   6.225   4.518
  314    HA   ARG 864           HA       ARG 864   4.819   4.223   2.579
  315    H    GLN 865           HN       GLN 865   6.899   4.386   5.437
  316    HA   GLN 865           HA       GLN 865   8.081   1.871   5.264
  317    HB2  GLN 865           HB2      GLN 865   8.494   3.904   6.880
  318    HB3  GLN 865           HB1      GLN 865   7.362   3.056   7.928
  319    HG2  GLN 865           HG2      GLN 865   9.575   1.458   6.708
  320    HG3  GLN 865           HG1      GLN 865   9.992   2.574   8.004
  321   HE21  GLN 865          HE21      GLN 865  10.389   0.014   8.708
  322   HE22  GLN 865          HE22      GLN 865   9.136  -0.584   9.690
  323    H    ARG 866           HN       ARG 866   5.167   2.863   7.043
  324    HA   ARG 866           HA       ARG 866   4.529   0.344   8.096
  325    H    ILE 867           HN       ILE 867   3.290   1.922   5.151
  326    HA   ILE 867           HA       ILE 867   1.700  -0.217   4.292
  327    HB   ILE 867           HB       ILE 867   3.172   1.839   2.618
  328   HG12  ILE 867          HG11      ILE 867   1.401   2.466   4.510
  329   HG21  ILE 867          HG21      ILE 867   1.324   1.341   0.972
  330   HG22  ILE 867          HG22      ILE 867   0.871  -0.032   1.978
  331   HG23  ILE 867          HG23      ILE 867   2.455   0.007   1.202
  332   HD11  ILE 867          HD11      ILE 867  -0.487   1.982   2.210
  333   HD12  ILE 867          HD12      ILE 867  -0.867   2.298   3.902
  334   HD13  ILE 867          HD13      ILE 867  -0.216   0.732   3.424
  335    H    LEU 868           HN       LEU 868   5.106   0.544   3.570
  336    HA   LEU 868           HA       LEU 868   5.602  -1.665   1.890
  337    HB2  LEU 868           HB2      LEU 868   7.114   0.394   2.415
  338    HB3  LEU 868           HB1      LEU 868   7.693  -0.580   3.764
  339    HG   LEU 868           HG       LEU 868   7.994  -2.463   1.971
  340   HD11  LEU 868          HD11      LEU 868   7.336  -0.088   0.333
  341   HD12  LEU 868          HD12      LEU 868   7.221  -1.800  -0.061
  342   HD13  LEU 868          HD13      LEU 868   8.769  -0.973  -0.189
  343   HD21  LEU 868          HD21      LEU 868   9.708  -0.056   2.489
  344   HD22  LEU 868          HD22      LEU 868  10.222  -1.188   1.240
  345   HD23  LEU 868          HD23      LEU 868   9.997  -1.745   2.895
  346    H    GLN 869           HN       GLN 869   6.059  -1.260   5.375
  347    HA   GLN 869           HA       GLN 869   6.940  -3.892   5.905
  348    HB2  GLN 869           HB2      GLN 869   5.701  -1.720   7.566
  349    HB3  GLN 869           HB1      GLN 869   5.886  -3.337   8.243
  350    HG2  GLN 869           HG2      GLN 869   8.357  -3.036   7.210
  351    HG3  GLN 869           HG1      GLN 869   7.971  -1.343   7.507
  352   HE21  GLN 869          HE21      GLN 869   8.414  -4.487   9.095
  353   HE22  GLN 869          HE22      GLN 869   8.545  -3.858  10.666
  354    H    ALA 870           HN       ALA 870   3.739  -2.422   5.772
  355    HA   ALA 870           HA       ALA 870   2.252  -4.565   6.775
  356    HB1  ALA 870           HB1      ALA 870   1.449  -2.524   4.690
  357    HB2  ALA 870           HB2      ALA 870   1.276  -2.353   6.435
  358    HB3  ALA 870           HB3      ALA 870   0.344  -3.575   5.572
  359    H    ILE 871           HN       ILE 871   3.083  -3.796   3.366
  360    HA   ILE 871           HA       ILE 871   1.840  -6.144   2.375
  361    HB   ILE 871           HB       ILE 871   3.043  -5.708   0.287
  362   HG12  ILE 871          HG11      ILE 871   4.356  -3.399   1.728
  363   HG21  ILE 871          HG21      ILE 871   2.022  -3.624  -0.234
  364   HG22  ILE 871          HG22      ILE 871   2.099  -3.098   1.445
  365   HG23  ILE 871          HG23      ILE 871   0.995  -4.395   0.975
  366   HD11  ILE 871          HD11      ILE 871   3.938  -3.129  -0.693
  367   HD12  ILE 871          HD12      ILE 871   4.784  -4.644  -1.005
  368   HD13  ILE 871          HD13      ILE 871   5.660  -3.256  -0.348
  369    H    GLN 872           HN       GLN 872   5.087  -5.363   3.466
  370    HA   GLN 872           HA       GLN 872   6.365  -7.751   2.661
  371    HB2  GLN 872           HB2      GLN 872   6.920  -5.665   4.740
  372    HB3  GLN 872           HB1      GLN 872   7.852  -7.159   4.739
  373    HG2  GLN 872           HG2      GLN 872   8.229  -6.708   2.222
  374    HG3  GLN 872           HG1      GLN 872   7.670  -5.072   2.566
  375   HE21  GLN 872          HE21      GLN 872   9.660  -3.937   2.437
  376   HE22  GLN 872          HE22      GLN 872  10.992  -4.278   3.431
  377    H    LEU 873           HN       LEU 873   4.561  -6.862   5.558
  378    HA   LEU 873           HA       LEU 873   5.107  -9.237   7.011
  379    HB2  LEU 873           HB2      LEU 873   3.360  -6.891   7.315
  380    HB3  LEU 873           HB1      LEU 873   2.677  -8.368   7.981
  381    HG   LEU 873           HG       LEU 873   4.120  -6.994   9.575
  382   HD11  LEU 873          HD11      LEU 873   3.575  -9.310  10.064
  383   HD12  LEU 873          HD12      LEU 873   5.259  -9.018  10.483
  384   HD13  LEU 873          HD13      LEU 873   4.861  -9.879   9.000
  385   HD21  LEU 873          HD21      LEU 873   5.897  -6.787   7.575
  386   HD22  LEU 873          HD22      LEU 873   6.516  -8.268   8.304
  387   HD23  LEU 873          HD23      LEU 873   6.403  -6.794   9.263
  388    H    LEU 874           HN       LEU 874   2.707  -8.419   4.590
  389    HA   LEU 874           HA       LEU 874   0.818 -10.422   5.028
  390    HB2  LEU 874           HB2      LEU 874   1.766  -9.170   2.446
  391    HB3  LEU 874           HB1      LEU 874   0.404 -10.281   2.533
  392    HG   LEU 874           HG       LEU 874   0.566  -7.777   4.227
  393   HD11  LEU 874          HD11      LEU 874   0.453  -7.663   1.520
  394   HD12  LEU 874          HD12      LEU 874  -0.356  -6.505   2.575
  395   HD13  LEU 874          HD13      LEU 874  -1.258  -7.858   1.899
  396   HD21  LEU 874          HD21      LEU 874  -1.164 -10.031   4.203
  397   HD22  LEU 874          HD22      LEU 874  -2.073  -8.698   3.497
  398   HD23  LEU 874          HD23      LEU 874  -1.372  -8.529   5.104
  399    HA   PRO 875           HA       PRO 875   3.525 -14.018   4.501
  400    HB2  PRO 875           HB2      PRO 875   0.848 -15.330   4.424
  401    HB3  PRO 875           HB1      PRO 875   2.282 -15.739   5.388
  402    HG2  PRO 875           HG2      PRO 875   0.190 -14.537   6.502
  403    HG3  PRO 875           HG1      PRO 875   1.846 -14.127   6.980
  404    HD2  PRO 875           HD2      PRO 875  -0.058 -12.556   5.292
  405    HD3  PRO 875           HD1      PRO 875   1.201 -11.986   6.410
  406    H    LYS 876           HN       LYS 876   4.317 -13.972   2.419
  407    HA   LYS 876           HA       LYS 876   2.549 -13.989   0.141
  Start of MODEL    5
    1    HA   GLN 814           HA       GLN 814  -8.775  -9.467   2.311
    2    HB2  GLN 814           HB2      GLN 814  -9.582  -8.555   4.696
    3    HB3  GLN 814           HB1      GLN 814  -9.929  -7.103   3.765
    4    HG2  GLN 814           HG2      GLN 814 -11.545  -8.168   2.451
    5    HG3  GLN 814           HG1      GLN 814 -10.842  -9.764   2.699
    6   HE21  GLN 814          HE21      GLN 814 -13.406  -9.958   3.172
    7   HE22  GLN 814          HE22      GLN 814 -13.813  -9.837   4.813
    8    H    THR 815           HN       THR 815 -10.337  -6.806   2.012
    9    HA   THR 815           HA       THR 815  -9.056  -5.995  -0.425
   10    HB   THR 815           HB       THR 815 -11.055  -4.202  -0.080
   11   HG21  THR 815          HG21      THR 815 -10.680  -6.115  -1.805
   12   HG22  THR 815          HG22      THR 815 -12.332  -5.584  -1.500
   13   HG23  THR 815          HG23      THR 815 -11.729  -7.062  -0.752
   14    H    VAL 816           HN       VAL 816  -8.679  -3.611  -0.860
   15    HA   VAL 816           HA       VAL 816  -6.778  -2.622   0.967
   16    HB   VAL 816           HB       VAL 816  -6.981  -0.497  -0.430
   17   HG11  VAL 816          HG11      VAL 816  -5.262  -2.131  -0.917
   18   HG12  VAL 816          HG12      VAL 816  -5.980  -1.635  -2.447
   19   HG13  VAL 816          HG13      VAL 816  -6.424  -3.180  -1.729
   20   HG21  VAL 816          HG21      VAL 816  -8.378  -1.959  -2.562
   21   HG22  VAL 816          HG22      VAL 816  -8.597  -0.302  -2.015
   22   HG23  VAL 816          HG23      VAL 816  -9.414  -1.616  -1.177
   23    H    GLY 817           HN       GLY 817  -8.216  -2.828   2.840
   24    HA2  GLY 817           HA2      GLY 817  -9.227  -0.219   3.628
   25    HA3  GLY 817           HA1      GLY 817 -10.432  -1.507   3.573
   26    H    GLN 818           HN       GLN 818  -9.908  -3.500   4.750
   27    HA   GLN 818           HA       GLN 818  -9.322  -3.118   7.452
   28    HB2  GLN 818           HB2      GLN 818 -10.414  -5.133   7.045
   29    HB3  GLN 818           HB1      GLN 818  -9.472  -5.475   5.604
   30    HG2  GLN 818           HG2      GLN 818  -7.606  -5.526   7.746
   31    HG3  GLN 818           HG1      GLN 818  -9.038  -6.364   8.322
   32   HE21  GLN 818          HE21      GLN 818  -8.885  -8.557   7.908
   33   HE22  GLN 818          HE22      GLN 818  -8.196  -9.243   6.520
   34    H    TRP 819           HN       TRP 819  -7.300  -4.195   4.781
   35    HA   TRP 819           HA       TRP 819  -4.861  -4.624   6.067
   36    HB2  TRP 819           HB2      TRP 819  -5.475  -5.038   3.626
   37    HB3  TRP 819           HB1      TRP 819  -5.215  -3.321   3.356
   38    HD1  TRP 819           HD1      TRP 819  -3.177  -6.087   5.178
   39    H    LEU 820           HN       LEU 820  -5.863  -1.702   4.329
   40    HA   LEU 820           HA       LEU 820  -3.841   0.019   5.157
   41    HB2  LEU 820           HB2      LEU 820  -6.717   0.669   4.474
   42    HB3  LEU 820           HB1      LEU 820  -5.394   1.827   4.536
   43    HG   LEU 820           HG       LEU 820  -5.331  -0.629   2.762
   44   HD11  LEU 820          HD11      LEU 820  -7.194   0.710   2.015
   45   HD12  LEU 820          HD12      LEU 820  -5.848   0.990   0.913
   46   HD13  LEU 820          HD13      LEU 820  -6.245   2.189   2.144
   47   HD21  LEU 820          HD21      LEU 820  -3.131   0.182   3.039
   48   HD22  LEU 820          HD22      LEU 820  -3.659   1.865   3.088
   49   HD23  LEU 820          HD23      LEU 820  -3.667   0.981   1.562
   50    H    GLU 821           HN       GLU 821  -7.057  -0.509   6.585
   51    HA   GLU 821           HA       GLU 821  -6.883   1.374   8.643
   52    H    SER 822           HN       SER 822  -5.954  -2.046   8.610
   53    HA   SER 822           HA       SER 822  -5.146  -2.313  11.254
   54    HB2  SER 822           HB2      SER 822  -3.706  -3.564   8.910
   55    HB3  SER 822           HB1      SER 822  -3.835  -4.181  10.552
   56    HG   SER 822           HG       SER 822  -5.971  -3.783   8.689
   57    H    ILE 823           HN       ILE 823  -3.166  -1.315   8.465
   58    HA   ILE 823           HA       ILE 823  -0.914  -0.674  10.146
   59    HB   ILE 823           HB       ILE 823   0.059   0.276   8.060
   60   HG12  ILE 823          HG11      ILE 823  -2.649  -0.536   6.935
   61   HG21  ILE 823          HG21      ILE 823  -0.573  -2.409   8.705
   62   HG22  ILE 823          HG22      ILE 823   0.729  -1.836   7.670
   63   HG23  ILE 823          HG23      ILE 823  -0.837  -2.247   6.971
   64   HD11  ILE 823          HD11      ILE 823  -1.257  -1.268   5.242
   65   HD12  ILE 823          HD12      ILE 823   0.016  -0.119   5.642
   66   HD13  ILE 823          HD13      ILE 823  -1.429   0.427   4.791
   67    H    GLY 824           HN       GLY 824  -3.797   0.879   9.447
   68    HA2  GLY 824           HA2      GLY 824  -4.577   2.877  10.325
   69    HA3  GLY 824           HA1      GLY 824  -2.944   3.251  10.856
   70    H    LEU 825           HN       LEU 825  -3.805   2.395   7.551
   71    HA   LEU 825           HA       LEU 825  -3.306   5.205   6.750
   72    HB2  LEU 825           HB2      LEU 825  -2.437   2.724   5.248
   73    HB3  LEU 825           HB1      LEU 825  -2.188   4.391   4.737
   74    HG   LEU 825           HG       LEU 825  -1.125   3.276   7.353
   75   HD11  LEU 825          HD11      LEU 825   1.036   3.113   6.278
   76   HD12  LEU 825          HD12      LEU 825   0.378   3.741   4.767
   77   HD13  LEU 825          HD13      LEU 825  -0.122   2.156   5.358
   78   HD21  LEU 825          HD21      LEU 825  -1.263   5.642   7.501
   79   HD22  LEU 825          HD22      LEU 825  -0.785   5.861   5.818
   80   HD23  LEU 825          HD23      LEU 825   0.402   5.338   7.012
   81    HA   PRO 826           HA       PRO 826  -7.385   3.292   5.193
   82    HB2  PRO 826           HB2      PRO 826  -9.006   5.171   6.388
   83    HB3  PRO 826           HB1      PRO 826  -8.613   3.590   7.085
   84    HG2  PRO 826           HG2      PRO 826  -7.450   6.258   7.693
   85    HG3  PRO 826           HG1      PRO 826  -7.825   4.915   8.786
   86    HD2  PRO 826           HD2      PRO 826  -5.294   5.437   7.978
   87    HD3  PRO 826           HD1      PRO 826  -5.865   3.780   8.297
   88    H    GLN 827           HN       GLN 827  -9.031   4.471   3.864
   89    HA   GLN 827           HA       GLN 827  -9.602   5.878   2.162
   90    HB2  GLN 827           HB2      GLN 827  -7.858   7.931   3.547
   91    HB3  GLN 827           HB1      GLN 827  -9.151   8.237   2.390
   92    HG2  GLN 827           HG2      GLN 827  -9.806   6.674   4.870
   93    HG3  GLN 827           HG1      GLN 827  -9.609   8.418   5.002
   94   HE21  GLN 827          HE21      GLN 827 -11.162   9.787   3.883
   95   HE22  GLN 827          HE22      GLN 827 -12.607   9.153   3.260
   96    H    TYR 828           HN       TYR 828  -7.029   4.287   2.200
   97    HA   TYR 828           HA       TYR 828  -5.525   5.753   0.116
   98    HB2  TYR 828           HB2      TYR 828  -4.803   3.586   2.066
   99    HB3  TYR 828           HB1      TYR 828  -3.934   3.683   0.540
  100    HH   TYR 828           HH       TYR 828  -1.394   8.410   4.354
  101    H    GLU 829           HN       GLU 829  -7.965   3.588   0.457
  102    HA   GLU 829           HA       GLU 829  -7.428   1.455  -1.239
  103    H    ASN 830           HN       ASN 830  -9.598   4.065  -2.231
  104    HA   ASN 830           HA       ASN 830  -9.530   3.626  -4.934
  105    HB2  ASN 830           HB2      ASN 830 -10.594   5.595  -3.303
  106    HB3  ASN 830           HB1      ASN 830  -9.508   6.491  -4.358
  107   HD21  ASN 830          HD21      ASN 830  -9.714   5.574  -6.805
  108   HD22  ASN 830          HD22      ASN 830 -11.313   5.416  -7.346
  109    H    HIS 831           HN       HIS 831  -7.201   5.389  -2.994
  110    HA   HIS 831           HA       HIS 831  -5.702   6.491  -5.112
  111    HB2  HIS 831           HB2      HIS 831  -5.275   6.011  -2.213
  112    HB3  HIS 831           HB1      HIS 831  -3.823   6.195  -3.193
  113    H    LEU 832           HN       LEU 832  -5.014   3.600  -3.118
  114    HA   LEU 832           HA       LEU 832  -2.865   2.694  -4.693
  115    HB2  LEU 832           HB2      LEU 832  -4.509   1.642  -2.494
  116    HB3  LEU 832           HB1      LEU 832  -3.930   0.402  -3.595
  117    HG   LEU 832           HG       LEU 832  -1.616   1.601  -3.369
  118   HD11  LEU 832          HD11      LEU 832  -1.258   2.920  -1.441
  119   HD12  LEU 832          HD12      LEU 832  -2.787   2.429  -0.715
  120   HD13  LEU 832          HD13      LEU 832  -2.779   3.533  -2.090
  121   HD21  LEU 832          HD21      LEU 832  -2.299  -0.661  -2.431
  122   HD22  LEU 832          HD22      LEU 832  -2.709   0.169  -0.929
  123   HD23  LEU 832          HD23      LEU 832  -1.045   0.174  -1.514
  124    H    MET 833           HN       MET 833  -6.275   1.713  -4.626
  125    HA   MET 833           HA       MET 833  -6.181  -0.171  -6.677
  126    HB2  MET 833           HB2      MET 833  -8.422   1.676  -5.835
  127    HB3  MET 833           HB1      MET 833  -8.615   0.354  -6.986
  128    HG2  MET 833           HG2      MET 833  -7.369  -0.986  -4.992
  129    HG3  MET 833           HG1      MET 833  -8.201   0.245  -4.042
  130    HE1  MET 833           HE1      MET 833 -10.507   0.960  -4.462
  131    HE2  MET 833           HE2      MET 833 -10.702  -0.233  -3.185
  132    HE3  MET 833           HE3      MET 833 -11.835  -0.209  -4.531
  133    H    ALA 834           HN       ALA 834  -6.782   3.339  -6.886
  134    HA   ALA 834           HA       ALA 834  -7.190   3.486  -9.658
  135    HB1  ALA 834           HB1      ALA 834  -7.628   5.453  -8.405
  136    HB2  ALA 834           HB2      ALA 834  -6.232   5.843  -9.407
  137    HB3  ALA 834           HB3      ALA 834  -6.011   5.461  -7.701
  138    H    ASN 835           HN       ASN 835  -4.253   3.313  -7.746
  139    HA   ASN 835           HA       ASN 835  -2.523   3.670 -10.045
  140    HB2  ASN 835           HB2      ASN 835  -2.108   4.138  -7.435
  141    HB3  ASN 835           HB1      ASN 835  -1.447   2.507  -7.540
  142   HD21  ASN 835          HD21      ASN 835   0.441   2.171  -8.919
  143   HD22  ASN 835          HD22      ASN 835   1.352   3.483  -9.500
  144    H    GLY 836           HN       GLY 836  -4.503   1.270  -9.298
  145    HA2  GLY 836           HA2      GLY 836  -4.638  -0.856 -10.197
  146    HA3  GLY 836           HA1      GLY 836  -2.983  -0.697 -10.772
  147    H    PHE 837           HN       PHE 837  -2.883   0.209  -7.617
  148    HA   PHE 837           HA       PHE 837  -1.603  -2.215  -6.806
  149    HB2  PHE 837           HB2      PHE 837  -2.379   0.266  -5.258
  150    HB3  PHE 837           HB1      PHE 837  -1.464  -1.065  -4.572
  151    HZ   PHE 837           HZ       PHE 837   2.859   1.550  -7.525
  152    H    ASP 838           HN       ASP 838  -3.883  -3.147  -7.574
  153    HA   ASP 838           HA       ASP 838  -5.819  -3.312  -5.413
  154    H    ASN 839           HN       ASN 839  -6.491  -5.416  -4.566
  155    HA   ASN 839           HA       ASN 839  -6.019  -7.261  -3.299
  156    HB2  ASN 839           HB2      ASN 839  -5.905  -8.195  -5.655
  157    HB3  ASN 839           HB1      ASN 839  -4.151  -8.076  -5.516
  158   HD21  ASN 839          HD21      ASN 839  -6.768 -10.141  -4.903
  159   HD22  ASN 839          HD22      ASN 839  -6.001 -11.182  -3.805
  160    H    VAL 840           HN       VAL 840  -4.982  -5.991  -1.724
  161    HA   VAL 840           HA       VAL 840  -2.401  -5.151  -1.584
  162    HB   VAL 840           HB       VAL 840  -2.560  -5.433   0.870
  163   HG11  VAL 840          HG11      VAL 840  -5.113  -4.499  -0.483
  164   HG12  VAL 840          HG12      VAL 840  -3.663  -3.527  -0.224
  165   HG13  VAL 840          HG13      VAL 840  -4.613  -4.080   1.154
  166   HG21  VAL 840          HG21      VAL 840  -4.838  -6.361   1.670
  167   HG22  VAL 840          HG22      VAL 840  -3.639  -7.543   1.162
  168   HG23  VAL 840          HG23      VAL 840  -4.963  -7.108   0.080
  169    H    GLN 841           HN       GLN 841  -3.548  -8.410  -0.725
  170    HA   GLN 841           HA       GLN 841  -1.138  -9.537   0.064
  171    HB2  GLN 841           HB2      GLN 841  -3.192 -11.002  -1.584
  172    HB3  GLN 841           HB1      GLN 841  -2.097 -11.675  -0.381
  173    HG2  GLN 841           HG2      GLN 841  -3.827 -11.454   1.065
  174    HG3  GLN 841           HG1      GLN 841  -3.411  -9.744   1.081
  175   HE21  GLN 841          HE21      GLN 841  -4.892 -11.509  -1.658
  176   HE22  GLN 841          HE22      GLN 841  -6.342 -10.626  -1.637
  177    H    PHE 842           HN       PHE 842  -2.566  -9.685  -3.194
  178    HA   PHE 842           HA       PHE 842  -0.293 -10.788  -4.432
  179    HB2  PHE 842           HB2      PHE 842  -2.857  -9.888  -5.268
  180    HB3  PHE 842           HB1      PHE 842  -1.668  -9.064  -6.270
  181    HZ   PHE 842           HZ       PHE 842  -1.070 -14.446  -8.442
  182    H    MET 843           HN       MET 843  -1.387  -7.430  -4.094
  183    HA   MET 843           HA       MET 843   0.637  -6.143  -5.485
  184    HB2  MET 843           HB2      MET 843  -1.412  -5.388  -3.657
  185    HB3  MET 843           HB1      MET 843   0.084  -4.631  -3.117
  186    HG2  MET 843           HG2      MET 843  -1.142  -4.452  -5.879
  187    HG3  MET 843           HG1      MET 843  -0.990  -3.150  -4.702
  188    HE1  MET 843           HE1      MET 843   2.229  -1.868  -4.584
  189    HE2  MET 843           HE2      MET 843   2.446  -3.391  -3.730
  190    HE3  MET 843           HE3      MET 843   0.913  -2.534  -3.607
  191    H    GLY 844           HN       GLY 844   0.580  -6.846  -1.988
  192    HA2  GLY 844           HA2      GLY 844   3.193  -6.000  -1.428
  193    HA3  GLY 844           HA1      GLY 844   2.283  -7.187  -0.489
  194    H    SER 845           HN       SER 845   1.902  -9.120  -2.413
  195    HA   SER 845           HA       SER 845   4.538 -10.328  -2.480
  196    HB2  SER 845           HB2      SER 845   2.091 -11.574  -3.668
  197    HB3  SER 845           HB1      SER 845   3.457 -12.323  -2.853
  198    HG   SER 845           HG       SER 845   1.347 -10.769  -1.723
  199    H    ASN 846           HN       ASN 846   3.406  -8.039  -4.293
  200    HA   ASN 846           HA       ASN 846   4.136  -9.285  -6.880
  201    HB2  ASN 846           HB2      ASN 846   1.937  -8.455  -7.108
  202    HB3  ASN 846           HB1      ASN 846   2.315  -6.975  -6.235
  203   HD21  ASN 846          HD21      ASN 846   2.326  -5.259  -7.693
  204   HD22  ASN 846          HD22      ASN 846   2.992  -5.316  -9.252
  205    H    VAL 847           HN       VAL 847   4.363  -6.182  -5.132
  206    HA   VAL 847           HA       VAL 847   7.130  -5.966  -5.978
  207    HB   VAL 847           HB       VAL 847   5.929  -5.016  -7.897
  208   HG11  VAL 847          HG11      VAL 847   3.938  -4.304  -6.392
  209   HG12  VAL 847          HG12      VAL 847   4.387  -3.238  -7.722
  210   HG13  VAL 847          HG13      VAL 847   4.883  -2.849  -6.076
  211   HG21  VAL 847          HG21      VAL 847   7.049  -2.820  -7.921
  212   HG22  VAL 847          HG22      VAL 847   8.106  -4.032  -7.202
  213   HG23  VAL 847          HG23      VAL 847   7.247  -2.886  -6.172
  214    H    MET 848           HN       MET 848   8.342  -4.683  -4.681
  215    HA   MET 848           HA       MET 848   6.990  -3.104  -2.604
  216    HB2  MET 848           HB2      MET 848   9.414  -4.750  -1.915
  217    HB3  MET 848           HB1      MET 848   8.203  -4.054  -0.843
  218    HG2  MET 848           HG2      MET 848   6.537  -5.664  -1.596
  219    HG3  MET 848           HG1      MET 848   7.653  -6.307  -2.795
  220    HE1  MET 848           HE1      MET 848   5.919  -6.963  -0.101
  221    HE2  MET 848           HE2      MET 848   6.803  -7.936   1.066
  222    HE3  MET 848           HE3      MET 848   6.483  -8.583  -0.538
  223    H    GLU 849           HN       GLU 849   7.593  -1.142  -3.331
  224    HA   GLU 849           HA       GLU 849  10.392  -0.410  -3.152
  225    H    ASP 850           HN       ASP 850  10.570   1.675  -2.499
  226    HA   ASP 850           HA       ASP 850   8.508   3.084  -1.373
  227    H    GLN 851           HN       GLN 851   9.317   2.911  -4.730
  228    HA   GLN 851           HA       GLN 851   8.053   5.183  -5.715
  229    HB2  GLN 851           HB2      GLN 851   7.674   3.775  -7.789
  230    HB3  GLN 851           HB1      GLN 851   9.346   3.910  -7.250
  231    HG2  GLN 851           HG2      GLN 851   9.455   1.668  -7.137
  232    HG3  GLN 851           HG1      GLN 851   8.208   1.679  -5.891
  233   HE21  GLN 851          HE21      GLN 851   5.891   2.274  -7.150
  234   HE22  GLN 851          HE22      GLN 851   5.588   1.209  -8.435
  235    H    ASP 852           HN       ASP 852   6.737   2.248  -4.411
  236    HA   ASP 852           HA       ASP 852   4.217   2.180  -5.595
  237    H    LEU 853           HN       LEU 853   4.942   3.525  -2.413
  238    HA   LEU 853           HA       LEU 853   2.478   4.923  -2.232
  239    HB2  LEU 853           HB2      LEU 853   5.058   5.340  -0.735
  240    HB3  LEU 853           HB1      LEU 853   3.481   6.001  -0.292
  241    HG   LEU 853           HG       LEU 853   3.694   3.049  -0.765
  242   HD11  LEU 853          HD11      LEU 853   5.288   2.825   0.783
  243   HD12  LEU 853          HD12      LEU 853   4.063   3.292   1.962
  244   HD13  LEU 853          HD13      LEU 853   5.158   4.502   1.299
  245   HD21  LEU 853          HD21      LEU 853   1.594   4.564  -0.163
  246   HD22  LEU 853          HD22      LEU 853   2.206   4.370   1.480
  247   HD23  LEU 853          HD23      LEU 853   1.776   2.953   0.523
  248    H    LEU 854           HN       LEU 854   5.550   5.585  -3.628
  249    HA   LEU 854           HA       LEU 854   5.290   8.418  -3.848
  250    HB2  LEU 854           HB2      LEU 854   7.369   6.850  -4.302
  251    HB3  LEU 854           HB1      LEU 854   6.707   6.796  -5.936
  252    HG   LEU 854           HG       LEU 854   6.684   9.294  -5.972
  253   HD11  LEU 854          HD11      LEU 854   7.555   8.852  -3.173
  254   HD12  LEU 854          HD12      LEU 854   6.695  10.215  -3.885
  255   HD13  LEU 854          HD13      LEU 854   8.443  10.098  -4.046
  256   HD21  LEU 854          HD21      LEU 854   9.061   9.537  -6.346
  257   HD22  LEU 854          HD22      LEU 854   8.622   7.899  -6.827
  258   HD23  LEU 854          HD23      LEU 854   9.418   8.182  -5.279
  259    H    GLU 855           HN       GLU 855   4.304   5.656  -5.805
  260    HA   GLU 855           HA       GLU 855   3.352   7.010  -8.069
  261    H    ILE 856           HN       ILE 856   1.563   5.957  -5.153
  262    HA   ILE 856           HA       ILE 856  -0.808   7.360  -5.947
  263    HB   ILE 856           HB       ILE 856  -1.284   7.082  -3.332
  264   HG12  ILE 856          HG11      ILE 856   1.283   6.074  -3.400
  265   HG21  ILE 856          HG21      ILE 856  -2.597   6.031  -5.037
  266   HG22  ILE 856          HG22      ILE 856  -2.116   4.771  -3.899
  267   HG23  ILE 856          HG23      ILE 856  -1.288   4.924  -5.448
  268   HD11  ILE 856          HD11      ILE 856   0.446   4.146  -4.797
  269   HD12  ILE 856          HD12      ILE 856  -0.590   3.688  -3.448
  270   HD13  ILE 856          HD13      ILE 856   1.160   3.647  -3.265
  271    H    GLY 857           HN       GLY 857   2.109   8.464  -4.807
  272    HA2  GLY 857           HA2      GLY 857   2.786  10.646  -4.450
  273    HA3  GLY 857           HA1      GLY 857   1.110  11.150  -4.603
  274    H    ILE 858           HN       ILE 858   2.435   8.797  -2.303
  275    HA   ILE 858           HA       ILE 858   1.223  10.267  -0.104
  276    HB   ILE 858           HB       ILE 858   3.020   7.854   0.109
  277   HG12  ILE 858          HG11      ILE 858   1.198   7.411  -1.543
  278   HG21  ILE 858          HG21      ILE 858   1.384   7.465   2.078
  279   HG22  ILE 858          HG22      ILE 858   0.914   9.146   1.844
  280   HG23  ILE 858          HG23      ILE 858   2.583   8.745   2.256
  281   HD11  ILE 858          HD11      ILE 858  -0.482   8.457   0.730
  282   HD12  ILE 858          HD12      ILE 858  -1.156   7.294  -0.408
  283   HD13  ILE 858          HD13      ILE 858  -0.568   8.854  -0.986
  284    H    LEU 859           HN       LEU 859   2.234  11.857   0.936
  285    HA   LEU 859           HA       LEU 859   5.125  12.194   0.588
  286    HB2  LEU 859           HB2      LEU 859   3.140  14.106   1.822
  287    HB3  LEU 859           HB1      LEU 859   4.789  14.466   1.315
  288    HG   LEU 859           HG       LEU 859   2.600  13.511  -0.563
  289   HD11  LEU 859          HD11      LEU 859   2.444  15.789  -1.340
  290   HD12  LEU 859          HD12      LEU 859   3.758  16.291  -0.278
  291   HD13  LEU 859          HD13      LEU 859   2.210  15.794   0.408
  292   HD21  LEU 859          HD21      LEU 859   4.694  12.932  -1.515
  293   HD22  LEU 859          HD22      LEU 859   5.473  14.395  -0.911
  294   HD23  LEU 859          HD23      LEU 859   4.319  14.494  -2.239
  295    H    ASN 860           HN       ASN 860   2.978  10.980   2.876
  296    HA   ASN 860           HA       ASN 860   4.187  11.773   5.311
  297    HB2  ASN 860           HB2      ASN 860   2.027  10.751   5.415
  298    HB3  ASN 860           HB1      ASN 860   2.578   9.334   4.528
  299   HD21  ASN 860          HD21      ASN 860   3.104  11.064   7.632
  300   HD22  ASN 860          HD22      ASN 860   3.535   9.669   8.499
  301    H    SER 861           HN       SER 861   5.499  10.332   6.753
  302    HA   SER 861           HA       SER 861   7.618   9.047   5.183
  303    HB2  SER 861           HB2      SER 861   7.740   9.412   8.155
  304    HB3  SER 861           HB1      SER 861   9.045   9.365   6.980
  305    HG   SER 861           HG       SER 861   8.704  11.417   6.489
  306    H    GLY 862           HN       GLY 862   5.660   8.345   8.061
  307    HA2  GLY 862           HA2      GLY 862   6.484   5.771   8.590
  308    HA3  GLY 862           HA1      GLY 862   4.886   6.387   8.971
  309    H    HIS 863           HN       HIS 863   3.862   6.763   6.395
  310    HA   HIS 863           HA       HIS 863   2.617   4.445   5.830
  311    HB2  HIS 863           HB2      HIS 863   2.118   5.238   3.617
  312    HB3  HIS 863           HB1      HIS 863   2.184   6.637   4.685
  313    H    ARG 864           HN       ARG 864   5.745   5.361   4.426
  314    HA   ARG 864           HA       ARG 864   6.151   3.145   2.779
  315    H    GLN 865           HN       GLN 865   7.261   3.615   6.107
  316    HA   GLN 865           HA       GLN 865   8.267   1.007   6.474
  317    HB2  GLN 865           HB2      GLN 865   7.144   2.826   8.618
  318    HB3  GLN 865           HB1      GLN 865   8.310   1.522   8.831
  319    HG2  GLN 865           HG2      GLN 865   8.818   3.957   7.096
  320    HG3  GLN 865           HG1      GLN 865   9.345   3.820   8.770
  321   HE21  GLN 865          HE21      GLN 865  11.105   2.364   9.246
  322   HE22  GLN 865          HE22      GLN 865  12.029   1.647   8.018
  323    H    ARG 866           HN       ARG 866   5.176   2.461   7.388
  324    HA   ARG 866           HA       ARG 866   4.055   0.167   8.543
  325    H    ILE 867           HN       ILE 867   3.660   1.436   5.239
  326    HA   ILE 867           HA       ILE 867   2.030  -0.649   4.327
  327    HB   ILE 867           HB       ILE 867   3.916   1.164   2.809
  328   HG12  ILE 867          HG11      ILE 867   1.837   2.018   4.153
  329   HG21  ILE 867          HG21      ILE 867   2.370   0.495   0.861
  330   HG22  ILE 867          HG22      ILE 867   1.887  -0.873   1.864
  331   HG23  ILE 867          HG23      ILE 867   3.570  -0.697   1.362
  332   HD11  ILE 867          HD11      ILE 867  -0.304   1.684   3.190
  333   HD12  ILE 867          HD12      ILE 867   0.427   0.082   3.148
  334   HD13  ILE 867          HD13      ILE 867   0.377   1.064   1.686
  335    H    LEU 868           HN       LEU 868   5.590  -0.290   4.181
  336    HA   LEU 868           HA       LEU 868   6.094  -2.663   2.783
  337    HB2  LEU 868           HB2      LEU 868   8.296  -2.294   3.223
  338    HB3  LEU 868           HB1      LEU 868   7.720  -0.727   3.764
  339    HG   LEU 868           HG       LEU 868   7.482  -1.889   6.092
  340   HD11  LEU 868          HD11      LEU 868   8.169  -4.024   6.281
  341   HD12  LEU 868          HD12      LEU 868   9.740  -3.607   5.603
  342   HD13  LEU 868          HD13      LEU 868   8.419  -4.073   4.537
  343   HD21  LEU 868          HD21      LEU 868  10.346  -1.676   5.263
  344   HD22  LEU 868          HD22      LEU 868   9.536  -1.008   6.678
  345   HD23  LEU 868          HD23      LEU 868   9.327  -0.245   5.104
  346    H    GLN 869           HN       GLN 869   5.691  -2.091   6.213
  347    HA   GLN 869           HA       GLN 869   5.991  -4.793   7.049
  348    HB2  GLN 869           HB2      GLN 869   4.452  -2.506   8.306
  349    HB3  GLN 869           HB1      GLN 869   4.772  -4.049   9.092
  350    HG2  GLN 869           HG2      GLN 869   6.983  -3.577   9.443
  351    HG3  GLN 869           HG1      GLN 869   7.138  -2.651   7.955
  352   HE21  GLN 869          HE21      GLN 869   8.264  -1.015   9.378
  353   HE22  GLN 869          HE22      GLN 869   7.321   0.076  10.273
  354    H    ALA 870           HN       ALA 870   3.285  -2.807   6.016
  355    HA   ALA 870           HA       ALA 870   1.181  -4.553   6.585
  356    HB1  ALA 870           HB1      ALA 870   1.123  -2.098   5.771
  357    HB2  ALA 870           HB2      ALA 870  -0.145  -3.190   5.219
  358    HB3  ALA 870           HB3      ALA 870   1.198  -2.788   4.153
  359    H    ILE 871           HN       ILE 871   3.075  -4.180   3.569
  360    HA   ILE 871           HA       ILE 871   1.716  -6.320   2.288
  361    HB   ILE 871           HB       ILE 871   3.653  -6.270   0.679
  362   HG12  ILE 871          HG11      ILE 871   4.484  -3.893   2.354
  363   HG21  ILE 871          HG21      ILE 871   2.410  -3.566   1.233
  364   HG22  ILE 871          HG22      ILE 871   1.553  -4.895   0.447
  365   HG23  ILE 871          HG23      ILE 871   2.968  -4.176  -0.321
  366   HD11  ILE 871          HD11      ILE 871   6.499  -4.383   0.584
  367   HD12  ILE 871          HD12      ILE 871   5.205  -3.219   0.300
  368   HD13  ILE 871          HD13      ILE 871   5.094  -4.840  -0.383
  369    H    GLN 872           HN       GLN 872   4.790  -6.062   4.029
  370    HA   GLN 872           HA       GLN 872   5.710  -8.675   3.686
  371    HB2  GLN 872           HB2      GLN 872   6.002  -6.703   5.946
  372    HB3  GLN 872           HB1      GLN 872   6.736  -8.303   6.025
  373    HG2  GLN 872           HG2      GLN 872   7.162  -6.472   3.656
  374    HG3  GLN 872           HG1      GLN 872   8.195  -6.404   5.081
  375   HE21  GLN 872          HE21      GLN 872   8.852  -8.857   5.779
  376   HE22  GLN 872          HE22      GLN 872   9.444  -9.791   4.492
  377    H    LEU 873           HN       LEU 873   3.149  -7.424   5.679
  378    HA   LEU 873           HA       LEU 873   2.893  -9.734   7.350
  379    HB2  LEU 873           HB2      LEU 873   1.817  -7.137   7.313
  380    HB3  LEU 873           HB1      LEU 873   0.439  -8.207   7.094
  381    HG   LEU 873           HG       LEU 873   0.787  -7.846   9.472
  382   HD11  LEU 873          HD11      LEU 873   0.800 -10.091  10.212
  383   HD12  LEU 873          HD12      LEU 873   1.866 -10.610   8.911
  384   HD13  LEU 873          HD13      LEU 873   0.195 -10.169   8.560
  385   HD21  LEU 873          HD21      LEU 873   3.037  -8.919  10.376
  386   HD22  LEU 873          HD22      LEU 873   3.008  -7.249   9.818
  387   HD23  LEU 873          HD23      LEU 873   3.626  -8.518   8.764
  388    H    LEU 874           HN       LEU 874   1.938  -9.046   4.130
  389    HA   LEU 874           HA       LEU 874  -0.388 -10.716   4.169
  390    HB2  LEU 874           HB2      LEU 874   1.059  -9.706   1.702
  391    HB3  LEU 874           HB1      LEU 874  -0.599 -10.288   1.828
  392    HG   LEU 874           HG       LEU 874   0.468  -7.906   3.371
  393   HD11  LEU 874          HD11      LEU 874  -0.294  -6.479   1.733
  394   HD12  LEU 874          HD12      LEU 874  -1.473  -7.634   1.131
  395   HD13  LEU 874          HD13      LEU 874   0.232  -7.825   0.723
  396   HD21  LEU 874          HD21      LEU 874  -2.130  -9.357   3.198
  397   HD22  LEU 874          HD22      LEU 874  -2.212  -7.599   3.262
  398   HD23  LEU 874          HD23      LEU 874  -1.414  -8.489   4.556
  399    HA   PRO 875           HA       PRO 875   2.434 -13.886   1.717
  400    HB2  PRO 875           HB2      PRO 875   5.045 -13.196   2.962
  401    HB3  PRO 875           HB1      PRO 875   4.685 -13.698   1.300
  402    HG2  PRO 875           HG2      PRO 875   5.297 -11.176   1.881
  403    HG3  PRO 875           HG1      PRO 875   4.100 -11.579   0.636
  404    HD2  PRO 875           HD2      PRO 875   3.648 -10.524   3.397
  405    HD3  PRO 875           HD1      PRO 875   2.738 -10.234   1.898
  406    H    LYS 876           HN       LYS 876   1.566 -15.502   2.958
  407    HA   LYS 876           HA       LYS 876   2.097 -15.704   5.794
  Start of MODEL    6
    1    HA   GLN 814           HA       GLN 814  -6.861  -9.191   2.268
    2    HB2  GLN 814           HB2      GLN 814  -8.431 -10.217   0.491
    3    HB3  GLN 814           HB1      GLN 814  -8.489 -10.913   2.106
    4    HG2  GLN 814           HG2      GLN 814 -10.392  -8.675   1.437
    5    HG3  GLN 814           HG1      GLN 814 -10.723 -10.283   0.821
    6   HE21  GLN 814          HE21      GLN 814 -12.015 -11.479   2.195
    7   HE22  GLN 814          HE22      GLN 814 -12.052 -11.321   3.885
    8    H    THR 815           HN       THR 815  -9.631  -7.156   1.416
    9    HA   THR 815           HA       THR 815  -8.337  -6.187  -0.972
   10    HB   THR 815           HB       THR 815 -10.434  -4.625  -0.858
   11   HG21  THR 815          HG21      THR 815 -11.781  -6.410  -1.870
   12   HG22  THR 815          HG22      THR 815 -10.698  -7.628  -1.194
   13   HG23  THR 815          HG23      THR 815 -10.113  -6.511  -2.425
   14    H    VAL 816           HN       VAL 816  -8.104  -3.822  -1.305
   15    HA   VAL 816           HA       VAL 816  -6.464  -2.699   0.695
   16    HB   VAL 816           HB       VAL 816  -6.701  -0.595  -0.748
   17   HG11  VAL 816          HG11      VAL 816  -4.800  -1.968  -1.102
   18   HG12  VAL 816          HG12      VAL 816  -5.515  -1.786  -2.701
   19   HG13  VAL 816          HG13      VAL 816  -5.768  -3.269  -1.787
   20   HG21  VAL 816          HG21      VAL 816  -7.764  -0.863  -2.914
   21   HG22  VAL 816          HG22      VAL 816  -8.954  -1.244  -1.672
   22   HG23  VAL 816          HG23      VAL 816  -8.160  -2.541  -2.563
   23    H    GLY 817           HN       GLY 817  -6.938  -0.341   1.446
   24    HA2  GLY 817           HA2      GLY 817  -8.287   1.154   2.607
   25    HA3  GLY 817           HA1      GLY 817  -9.697   0.218   2.115
   26    H    GLN 818           HN       GLN 818  -9.991  -1.906   3.173
   27    HA   GLN 818           HA       GLN 818 -10.042  -1.745   5.960
   28    HB2  GLN 818           HB2      GLN 818 -11.344  -3.379   4.563
   29    HB3  GLN 818           HB1      GLN 818  -9.858  -4.303   4.338
   30    HG2  GLN 818           HG2      GLN 818 -10.071  -3.809   7.124
   31    HG3  GLN 818           HG1      GLN 818 -11.670  -4.309   6.581
   32   HE21  GLN 818          HE21      GLN 818 -11.959  -6.502   5.994
   33   HE22  GLN 818          HE22      GLN 818 -10.715  -7.655   6.048
   34    H    TRP 819           HN       TRP 819  -7.758  -3.448   3.859
   35    HA   TRP 819           HA       TRP 819  -6.000  -4.376   5.843
   36    HB2  TRP 819           HB2      TRP 819  -5.897  -5.216   3.567
   37    HB3  TRP 819           HB1      TRP 819  -5.515  -3.614   2.950
   38    HD1  TRP 819           HD1      TRP 819  -4.007  -6.295   5.289
   39    H    LEU 820           HN       LEU 820  -5.824  -1.476   3.802
   40    HA   LEU 820           HA       LEU 820  -3.551  -0.290   4.897
   41    HB2  LEU 820           HB2      LEU 820  -6.012   1.077   3.778
   42    HB3  LEU 820           HB1      LEU 820  -4.428   1.817   4.001
   43    HG   LEU 820           HG       LEU 820  -4.634  -0.723   2.414
   44   HD11  LEU 820          HD11      LEU 820  -6.148   1.492   1.693
   45   HD12  LEU 820          HD12      LEU 820  -5.601   0.205   0.617
   46   HD13  LEU 820          HD13      LEU 820  -4.663   1.674   0.762
   47   HD21  LEU 820          HD21      LEU 820  -2.825   1.708   2.403
   48   HD22  LEU 820          HD22      LEU 820  -2.695   0.386   1.243
   49   HD23  LEU 820          HD23      LEU 820  -2.417   0.087   2.959
   50    H    GLU 821           HN       GLU 821  -6.960   0.219   5.760
   51    HA   GLU 821           HA       GLU 821  -6.550   1.996   7.885
   52    H    SER 822           HN       SER 822  -6.795  -1.536   7.860
   53    HA   SER 822           HA       SER 822  -6.517  -2.025  10.576
   54    HB2  SER 822           HB2      SER 822  -5.376  -3.685   8.320
   55    HB3  SER 822           HB1      SER 822  -5.723  -4.236   9.954
   56    HG   SER 822           HG       SER 822  -7.520  -3.354   7.925
   57    H    ILE 823           HN       ILE 823  -3.930  -1.702   8.128
   58    HA   ILE 823           HA       ILE 823  -1.866  -1.952  10.110
   59    HB   ILE 823           HB       ILE 823  -0.313  -1.403   8.310
   60   HG12  ILE 823          HG11      ILE 823  -2.785  -0.931   6.616
   61   HG21  ILE 823          HG21      ILE 823  -1.629  -3.096   6.562
   62   HG22  ILE 823          HG22      ILE 823  -2.419  -3.454   8.093
   63   HG23  ILE 823          HG23      ILE 823  -0.671  -3.619   7.947
   64   HD11  ILE 823          HD11      ILE 823   0.183  -0.672   6.050
   65   HD12  ILE 823          HD12      ILE 823  -1.091  -0.145   4.954
   66   HD13  ILE 823          HD13      ILE 823  -0.925  -1.853   5.350
   67    H    GLY 824           HN       GLY 824  -4.025   0.447   9.596
   68    HA2  GLY 824           HA2      GLY 824  -4.106   2.430  10.835
   69    HA3  GLY 824           HA1      GLY 824  -2.364   2.350  11.049
   70    H    LEU 825           HN       LEU 825  -3.834   2.002   7.884
   71    HA   LEU 825           HA       LEU 825  -2.884   4.723   7.212
   72    HB2  LEU 825           HB2      LEU 825  -2.697   2.221   5.527
   73    HB3  LEU 825           HB1      LEU 825  -2.285   3.844   4.976
   74    HG   LEU 825           HG       LEU 825  -0.985   2.427   7.331
   75   HD11  LEU 825          HD11      LEU 825   0.622   1.657   5.935
   76   HD12  LEU 825          HD12      LEU 825   0.635   3.140   4.982
   77   HD13  LEU 825          HD13      LEU 825  -0.576   1.901   4.666
   78   HD21  LEU 825          HD21      LEU 825  -0.626   5.139   6.042
   79   HD22  LEU 825          HD22      LEU 825   0.695   4.371   6.923
   80   HD23  LEU 825          HD23      LEU 825  -0.809   4.750   7.753
   81    HA   PRO 826           HA       PRO 826  -7.358   4.302   6.000
   82    HB2  PRO 826           HB2      PRO 826  -8.211   6.577   7.233
   83    HB3  PRO 826           HB1      PRO 826  -8.141   5.007   8.056
   84    HG2  PRO 826           HG2      PRO 826  -6.261   7.306   8.212
   85    HG3  PRO 826           HG1      PRO 826  -6.801   6.200   9.489
   86    HD2  PRO 826           HD2      PRO 826  -4.361   5.983   8.241
   87    HD3  PRO 826           HD1      PRO 826  -5.217   4.603   8.968
   88    H    GLN 827           HN       GLN 827  -8.281   5.439   4.285
   89    HA   GLN 827           HA       GLN 827  -8.562   7.075   2.674
   90    HB2  GLN 827           HB2      GLN 827  -7.744   8.735   4.455
   91    HB3  GLN 827           HB1      GLN 827  -6.143   8.541   3.747
   92    HG2  GLN 827           HG2      GLN 827  -7.965   8.974   1.595
   93    HG3  GLN 827           HG1      GLN 827  -8.304  10.187   2.828
   94   HE21  GLN 827          HE21      GLN 827  -5.206   8.648   1.826
   95   HE22  GLN 827          HE22      GLN 827  -4.417  10.116   1.495
   96    H    TYR 828           HN       TYR 828  -6.581   4.738   2.847
   97    HA   TYR 828           HA       TYR 828  -4.831   5.512   0.589
   98    HB2  TYR 828           HB2      TYR 828  -4.685   3.281   2.614
   99    HB3  TYR 828           HB1      TYR 828  -3.757   3.247   1.119
  100    HH   TYR 828           HH       TYR 828  -0.325   8.058   3.881
  101    H    GLU 829           HN       GLU 829  -7.766   4.081   1.246
  102    HA   GLU 829           HA       GLU 829  -7.777   1.833  -0.480
  103    H    ASN 830           HN       ASN 830  -9.540   4.840  -1.091
  104    HA   ASN 830           HA       ASN 830  -9.916   4.585  -3.795
  105    HB2  ASN 830           HB2      ASN 830  -9.618   6.934  -1.982
  106    HB3  ASN 830           HB1      ASN 830  -9.539   7.237  -3.712
  107   HD21  ASN 830          HD21      ASN 830 -11.427   6.044  -4.986
  108   HD22  ASN 830          HD22      ASN 830 -12.954   6.121  -4.248
  109    H    HIS 831           HN       HIS 831  -7.024   5.563  -2.098
  110    HA   HIS 831           HA       HIS 831  -5.536   6.448  -4.332
  111    HB2  HIS 831           HB2      HIS 831  -4.804   5.487  -1.578
  112    HB3  HIS 831           HB1      HIS 831  -3.555   5.812  -2.775
  113    H    LEU 832           HN       LEU 832  -5.380   3.311  -2.589
  114    HA   LEU 832           HA       LEU 832  -3.759   2.111  -4.602
  115    HB2  LEU 832           HB2      LEU 832  -5.159   1.186  -2.148
  116    HB3  LEU 832           HB1      LEU 832  -4.821  -0.024  -3.375
  117    HG   LEU 832           HG       LEU 832  -2.415   0.895  -3.408
  118   HD11  LEU 832          HD11      LEU 832  -3.430   2.119  -0.827
  119   HD12  LEU 832          HD12      LEU 832  -2.821   2.993  -2.232
  120   HD13  LEU 832          HD13      LEU 832  -1.731   1.988  -1.275
  121   HD21  LEU 832          HD21      LEU 832  -1.769  -0.472  -1.489
  122   HD22  LEU 832          HD22      LEU 832  -3.092  -1.257  -2.346
  123   HD23  LEU 832          HD23      LEU 832  -3.406  -0.387  -0.842
  124    H    MET 833           HN       MET 833  -7.212   2.295  -3.991
  125    HA   MET 833           HA       MET 833  -8.085   0.362  -5.850
  126    HB2  MET 833           HB2      MET 833  -9.399   2.863  -4.778
  127    HB3  MET 833           HB1      MET 833 -10.216   1.755  -5.878
  128    HG2  MET 833           HG2      MET 833  -9.450  -0.085  -4.157
  129    HG3  MET 833           HG1      MET 833  -9.322   1.274  -3.044
  130    HE1  MET 833           HE1      MET 833 -12.833   2.825  -3.057
  131    HE2  MET 833           HE2      MET 833 -11.730   3.181  -4.380
  132    HE3  MET 833           HE3      MET 833 -11.103   3.021  -2.741
  133    H    ALA 834           HN       ALA 834  -7.862   3.920  -6.232
  134    HA   ALA 834           HA       ALA 834  -8.412   3.988  -8.989
  135    HB1  ALA 834           HB1      ALA 834  -6.893   5.801  -7.131
  136    HB2  ALA 834           HB2      ALA 834  -8.394   6.103  -8.008
  137    HB3  ALA 834           HB3      ALA 834  -6.858   6.094  -8.869
  138    H    ASN 835           HN       ASN 835  -5.397   3.659  -7.210
  139    HA   ASN 835           HA       ASN 835  -3.664   3.470  -9.453
  140    HB2  ASN 835           HB2      ASN 835  -2.819   3.983  -7.227
  141    HB3  ASN 835           HB1      ASN 835  -3.385   2.429  -6.624
  142   HD21  ASN 835          HD21      ASN 835  -1.293   1.586  -6.098
  143   HD22  ASN 835          HD22      ASN 835  -0.125   1.243  -7.275
  144    H    GLY 836           HN       GLY 836  -6.074   1.410  -8.346
  145    HA2  GLY 836           HA2      GLY 836  -6.703  -0.720  -8.926
  146    HA3  GLY 836           HA1      GLY 836  -5.569  -0.593 -10.269
  147    H    PHE 837           HN       PHE 837  -4.752  -0.272  -6.876
  148    HA   PHE 837           HA       PHE 837  -3.019  -2.646  -7.142
  149    HB2  PHE 837           HB2      PHE 837  -2.647   0.011  -5.958
  150    HB3  PHE 837           HB1      PHE 837  -2.150  -1.293  -4.886
  151    HZ   PHE 837           HZ       PHE 837   2.126  -1.747  -8.861
  152    H    ASP 838           HN       ASP 838  -5.546  -3.311  -6.695
  153    HA   ASP 838           HA       ASP 838  -6.147  -3.527  -3.878
  154    H    ASN 839           HN       ASN 839  -6.758  -5.884  -3.144
  155    HA   ASN 839           HA       ASN 839  -5.877  -7.862  -2.347
  156    HB2  ASN 839           HB2      ASN 839  -6.179  -8.164  -5.037
  157    HB3  ASN 839           HB1      ASN 839  -4.458  -8.498  -4.872
  158   HD21  ASN 839          HD21      ASN 839  -4.353 -10.764  -4.909
  159   HD22  ASN 839          HD22      ASN 839  -5.273 -11.780  -3.908
  160    H    VAL 840           HN       VAL 840  -4.515  -6.196  -1.212
  161    HA   VAL 840           HA       VAL 840  -2.000  -5.403  -1.803
  162    HB   VAL 840           HB       VAL 840  -1.571  -5.466   0.686
  163   HG11  VAL 840          HG11      VAL 840  -3.777  -4.155  -0.790
  164   HG12  VAL 840          HG12      VAL 840  -2.496  -3.443   0.187
  165   HG13  VAL 840          HG13      VAL 840  -3.933  -4.112   0.965
  166   HG21  VAL 840          HG21      VAL 840  -3.238  -7.551   0.826
  167   HG22  VAL 840          HG22      VAL 840  -4.453  -6.285   0.975
  168   HG23  VAL 840          HG23      VAL 840  -3.145  -6.391   2.148
  169    H    GLN 841           HN       GLN 841  -2.933  -8.660  -0.978
  170    HA   GLN 841           HA       GLN 841  -0.453  -9.733  -0.242
  171    HB2  GLN 841           HB2      GLN 841  -1.481 -11.759  -1.802
  172    HB3  GLN 841           HB1      GLN 841  -1.890 -11.495  -0.111
  173    HG2  GLN 841           HG2      GLN 841  -3.405 -10.133  -2.345
  174    HG3  GLN 841           HG1      GLN 841  -3.844 -11.736  -1.765
  175   HE21  GLN 841          HE21      GLN 841  -3.909 -11.756   0.853
  176   HE22  GLN 841          HE22      GLN 841  -4.752 -10.446   1.526
  177    H    PHE 842           HN       PHE 842  -1.781  -9.019  -3.428
  178    HA   PHE 842           HA       PHE 842   0.373 -10.043  -4.962
  179    HB2  PHE 842           HB2      PHE 842  -1.593  -7.810  -5.543
  180    HB3  PHE 842           HB1      PHE 842  -0.468  -8.484  -6.717
  181    HZ   PHE 842           HZ       PHE 842  -4.594 -12.616  -6.975
  182    H    MET 843           HN       MET 843  -0.356  -6.798  -3.718
  183    HA   MET 843           HA       MET 843   1.827  -5.404  -4.686
  184    HB2  MET 843           HB2      MET 843   0.419  -5.173  -2.017
  185    HB3  MET 843           HB1      MET 843   1.641  -4.036  -2.566
  186    HG2  MET 843           HG2      MET 843   0.262  -3.646  -4.632
  187    HG3  MET 843           HG1      MET 843  -0.996  -4.658  -3.928
  188    HE1  MET 843           HE1      MET 843   1.474  -2.036  -3.371
  189    HE2  MET 843           HE2      MET 843   1.193  -1.780  -1.654
  190    HE3  MET 843           HE3      MET 843   0.586  -0.610  -2.817
  191    H    GLY 844           HN       GLY 844   1.614  -7.070  -1.554
  192    HA2  GLY 844           HA2      GLY 844   4.282  -6.754  -0.769
  193    HA3  GLY 844           HA1      GLY 844   3.225  -8.057  -0.234
  194    H    SER 845           HN       SER 845   2.788  -9.107  -2.887
  195    HA   SER 845           HA       SER 845   5.241 -10.661  -3.093
  196    HB2  SER 845           HB2      SER 845   2.791 -11.066  -4.774
  197    HB3  SER 845           HB1      SER 845   3.984 -12.244  -4.245
  198    HG   SER 845           HG       SER 845   2.092 -10.835  -2.618
  199    H    ASN 846           HN       ASN 846   3.946  -7.919  -4.560
  200    HA   ASN 846           HA       ASN 846   5.306  -8.467  -7.119
  201    HB2  ASN 846           HB2      ASN 846   3.105  -7.833  -7.581
  202    HB3  ASN 846           HB1      ASN 846   3.097  -6.594  -6.333
  203   HD21  ASN 846          HD21      ASN 846   2.437  -4.985  -7.989
  204   HD22  ASN 846          HD22      ASN 846   3.575  -4.377  -9.092
  205    H    VAL 847           HN       VAL 847   4.895  -5.754  -4.816
  206    HA   VAL 847           HA       VAL 847   7.697  -5.062  -5.209
  207    HB   VAL 847           HB       VAL 847   6.732  -3.891  -7.069
  208   HG11  VAL 847          HG11      VAL 847   4.867  -2.273  -5.417
  209   HG12  VAL 847          HG12      VAL 847   4.388  -3.940  -5.711
  210   HG13  VAL 847          HG13      VAL 847   4.687  -2.859  -7.068
  211   HG21  VAL 847          HG21      VAL 847   7.431  -1.676  -6.578
  212   HG22  VAL 847          HG22      VAL 847   8.327  -2.658  -5.421
  213   HG23  VAL 847          HG23      VAL 847   6.887  -1.783  -4.904
  214    H    MET 848           HN       MET 848   8.566  -4.051  -3.496
  215    HA   MET 848           HA       MET 848   6.800  -2.820  -1.517
  216    HB2  MET 848           HB2      MET 848   8.303  -3.963   0.267
  217    HB3  MET 848           HB1      MET 848   7.016  -4.912  -0.474
  218    HG2  MET 848           HG2      MET 848   8.567  -5.997  -1.965
  219    HG3  MET 848           HG1      MET 848   9.873  -4.918  -1.481
  220    HE1  MET 848           HE1      MET 848   7.383  -7.465  -0.691
  221    HE2  MET 848           HE2      MET 848   7.151  -6.896   0.958
  222    HE3  MET 848           HE3      MET 848   7.987  -8.419   0.674
  223    H    GLU 849           HN       GLU 849   7.568  -0.773  -1.841
  224    HA   GLU 849           HA       GLU 849   9.980   0.007  -0.666
  225    H    ASP 850           HN       ASP 850  10.596   2.260  -2.206
  226    HA   ASP 850           HA       ASP 850   8.555   4.037  -1.323
  227    H    GLN 851           HN       GLN 851   9.766   3.189  -4.556
  228    HA   GLN 851           HA       GLN 851   8.285   4.890  -6.103
  229    HB2  GLN 851           HB2      GLN 851   8.929   1.998  -6.713
  230    HB3  GLN 851           HB1      GLN 851   8.372   3.174  -7.901
  231    HG2  GLN 851           HG2      GLN 851  10.716   3.940  -6.212
  232    HG3  GLN 851           HG1      GLN 851  10.979   2.734  -7.467
  233   HE21  GLN 851          HE21      GLN 851   9.522   3.570  -9.610
  234   HE22  GLN 851          HE22      GLN 851   9.944   5.147 -10.071
  235    H    ASP 852           HN       ASP 852   7.147   1.892  -4.647
  236    HA   ASP 852           HA       ASP 852   4.696   1.682  -5.988
  237    H    LEU 853           HN       LEU 853   5.221   3.016  -2.745
  238    HA   LEU 853           HA       LEU 853   2.672   4.224  -2.569
  239    HB2  LEU 853           HB2      LEU 853   5.244   4.818  -1.104
  240    HB3  LEU 853           HB1      LEU 853   3.673   5.501  -0.682
  241    HG   LEU 853           HG       LEU 853   3.985   2.519  -0.966
  242   HD11  LEU 853          HD11      LEU 853   5.476   2.532   0.708
  243   HD12  LEU 853          HD12      LEU 853   4.129   2.994   1.750
  244   HD13  LEU 853          HD13      LEU 853   5.192   4.231   1.078
  245   HD21  LEU 853          HD21      LEU 853   2.269   3.939   1.049
  246   HD22  LEU 853          HD22      LEU 853   1.979   2.426   0.190
  247   HD23  LEU 853          HD23      LEU 853   1.774   3.961  -0.645
  248    H    LEU 854           HN       LEU 854   5.815   5.331  -3.648
  249    HA   LEU 854           HA       LEU 854   5.299   8.064  -3.962
  250    HB2  LEU 854           HB2      LEU 854   7.479   6.598  -4.410
  251    HB3  LEU 854           HB1      LEU 854   6.873   6.635  -6.065
  252    HG   LEU 854           HG       LEU 854   6.633   9.194  -5.703
  253   HD11  LEU 854          HD11      LEU 854   7.024   8.987  -3.207
  254   HD12  LEU 854          HD12      LEU 854   8.044  10.170  -4.019
  255   HD13  LEU 854          HD13      LEU 854   8.704   8.598  -3.573
  256   HD21  LEU 854          HD21      LEU 854   9.454   8.080  -5.707
  257   HD22  LEU 854          HD22      LEU 854   8.873   9.549  -6.492
  258   HD23  LEU 854          HD23      LEU 854   8.377   7.971  -7.100
  259    H    GLU 855           HN       GLU 855   4.760   5.358  -6.189
  260    HA   GLU 855           HA       GLU 855   3.708   6.752  -8.351
  261    H    ILE 856           HN       ILE 856   1.973   5.326  -5.590
  262    HA   ILE 856           HA       ILE 856  -0.556   6.388  -6.316
  263    HB   ILE 856           HB       ILE 856  -0.122   6.053  -3.418
  264   HG12  ILE 856          HG11      ILE 856   0.475   3.809  -5.382
  265   HG21  ILE 856          HG21      ILE 856  -1.939   4.679  -5.409
  266   HG22  ILE 856          HG22      ILE 856  -2.329   6.173  -4.558
  267   HG23  ILE 856          HG23      ILE 856  -2.116   4.671  -3.657
  268   HD11  ILE 856          HD11      ILE 856  -1.027   2.788  -3.878
  269   HD12  ILE 856          HD12      ILE 856  -0.436   3.727  -2.507
  270   HD13  ILE 856          HD13      ILE 856   0.558   2.438  -3.188
  271    H    GLY 857           HN       GLY 857   2.229   7.854  -5.078
  272    HA2  GLY 857           HA2      GLY 857   2.647  10.112  -4.792
  273    HA3  GLY 857           HA1      GLY 857   0.931  10.428  -5.005
  274    H    ILE 858           HN       ILE 858   2.193   8.149  -2.662
  275    HA   ILE 858           HA       ILE 858   0.836   9.532  -0.532
  276    HB   ILE 858           HB       ILE 858   2.800   7.259  -0.232
  277   HG12  ILE 858          HG11      ILE 858   1.138   6.631  -1.943
  278   HG21  ILE 858          HG21      ILE 858   2.048   8.402   1.828
  279   HG22  ILE 858          HG22      ILE 858   1.428   6.755   1.750
  280   HG23  ILE 858          HG23      ILE 858   0.370   8.112   1.371
  281   HD11  ILE 858          HD11      ILE 858  -0.678   8.123  -1.569
  282   HD12  ILE 858          HD12      ILE 858  -0.800   7.679   0.133
  283   HD13  ILE 858          HD13      ILE 858  -1.309   6.541  -1.113
  284    H    LEU 859           HN       LEU 859   1.679  11.427   0.089
  285    HA   LEU 859           HA       LEU 859   4.524  11.942   0.096
  286    HB2  LEU 859           HB2      LEU 859   2.254  13.619   1.194
  287    HB3  LEU 859           HB1      LEU 859   3.907  14.161   0.916
  288    HG   LEU 859           HG       LEU 859   2.180  13.023  -1.301
  289   HD11  LEU 859          HD11      LEU 859   1.305  15.177  -0.115
  290   HD12  LEU 859          HD12      LEU 859   1.431  15.164  -1.873
  291   HD13  LEU 859          HD13      LEU 859   2.669  15.965  -0.909
  292   HD21  LEU 859          HD21      LEU 859   3.945  14.761  -2.432
  293   HD22  LEU 859          HD22      LEU 859   4.280  13.045  -2.219
  294   HD23  LEU 859          HD23      LEU 859   4.892  14.214  -1.050
  295    H    ASN 860           HN       ASN 860   2.380  10.490   2.234
  296    HA   ASN 860           HA       ASN 860   3.115  11.353   4.758
  297    HB2  ASN 860           HB2      ASN 860   2.419   8.568   3.823
  298    HB3  ASN 860           HB1      ASN 860   2.575   9.016   5.517
  299   HD21  ASN 860          HD21      ASN 860   1.234  11.221   5.975
  300   HD22  ASN 860          HD22      ASN 860  -0.342  11.207   5.348
  301    H    SER 861           HN       SER 861   4.522  10.348   6.370
  302    HA   SER 861           HA       SER 861   7.158   9.787   5.228
  303    HB2  SER 861           HB2      SER 861   7.453   9.869   7.977
  304    HB3  SER 861           HB1      SER 861   7.716  11.203   6.864
  305    HG   SER 861           HG       SER 861   5.729  11.986   7.306
  306    H    GLY 862           HN       GLY 862   5.032   8.403   7.741
  307    HA2  GLY 862           HA2      GLY 862   6.671   6.082   8.104
  308    HA3  GLY 862           HA1      GLY 862   5.093   6.365   8.817
  309    H    HIS 863           HN       HIS 863   3.761   6.743   6.222
  310    HA   HIS 863           HA       HIS 863   2.573   4.401   5.766
  311    HB2  HIS 863           HB2      HIS 863   2.105   5.016   3.470
  312    HB3  HIS 863           HB1      HIS 863   2.051   6.454   4.483
  313    H    ARG 864           HN       ARG 864   5.675   5.229   4.252
  314    HA   ARG 864           HA       ARG 864   6.084   2.959   2.708
  315    H    GLN 865           HN       GLN 865   7.191   3.484   6.013
  316    HA   GLN 865           HA       GLN 865   8.143   0.882   6.470
  317    HB2  GLN 865           HB2      GLN 865   8.615   2.958   7.849
  318    HB3  GLN 865           HB1      GLN 865   7.019   2.745   8.566
  319    HG2  GLN 865           HG2      GLN 865   7.845   0.291   9.015
  320    HG3  GLN 865           HG1      GLN 865   9.448   0.991   8.806
  321   HE21  GLN 865          HE21      GLN 865   9.573   0.347  11.226
  322   HE22  GLN 865          HE22      GLN 865   9.017   1.492  12.348
  323    H    ARG 866           HN       ARG 866   5.044   2.399   7.307
  324    HA   ARG 866           HA       ARG 866   3.874   0.183   8.564
  325    H    ILE 867           HN       ILE 867   3.752   1.200   5.177
  326    HA   ILE 867           HA       ILE 867   2.096  -0.908   4.300
  327    HB   ILE 867           HB       ILE 867   4.055   0.876   2.846
  328   HG12  ILE 867          HG11      ILE 867   1.859   1.727   3.946
  329   HG21  ILE 867          HG21      ILE 867   2.167  -1.236   1.774
  330   HG22  ILE 867          HG22      ILE 867   3.899  -1.092   1.483
  331   HG23  ILE 867          HG23      ILE 867   2.786   0.080   0.780
  332   HD11  ILE 867          HD11      ILE 867   0.716   0.291   1.527
  333   HD12  ILE 867          HD12      ILE 867  -0.173   1.352   2.619
  334   HD13  ILE 867          HD13      ILE 867   0.460  -0.183   3.206
  335    H    LEU 868           HN       LEU 868   5.648  -0.510   4.228
  336    HA   LEU 868           HA       LEU 868   6.294  -2.860   2.906
  337    HB2  LEU 868           HB2      LEU 868   7.722  -0.867   4.307
  338    HB3  LEU 868           HB1      LEU 868   8.201  -2.396   5.028
  339    HG   LEU 868           HG       LEU 868   9.655  -1.818   3.120
  340   HD11  LEU 868          HD11      LEU 868   7.872  -4.148   2.370
  341   HD12  LEU 868          HD12      LEU 868   9.043  -4.210   3.687
  342   HD13  LEU 868          HD13      LEU 868   9.592  -3.948   2.035
  343   HD21  LEU 868          HD21      LEU 868   7.533  -0.699   1.941
  344   HD22  LEU 868          HD22      LEU 868   7.400  -2.293   1.201
  345   HD23  LEU 868          HD23      LEU 868   8.870  -1.344   0.991
  346    H    GLN 869           HN       GLN 869   6.152  -2.417   6.429
  347    HA   GLN 869           HA       GLN 869   6.539  -5.144   7.049
  348    HB2  GLN 869           HB2      GLN 869   5.601  -4.581   9.272
  349    HB3  GLN 869           HB1      GLN 869   6.810  -3.410   8.755
  350    HG2  GLN 869           HG2      GLN 869   4.762  -2.101   7.786
  351    HG3  GLN 869           HG1      GLN 869   3.816  -3.096   8.886
  352   HE21  GLN 869          HE21      GLN 869   7.096  -1.754   9.428
  353   HE22  GLN 869          HE22      GLN 869   6.652  -0.827  10.778
  354    H    ALA 870           HN       ALA 870   3.628  -3.218   6.551
  355    HA   ALA 870           HA       ALA 870   1.760  -5.170   7.239
  356    HB1  ALA 870           HB1      ALA 870   1.493  -2.937   5.224
  357    HB2  ALA 870           HB2      ALA 870   1.168  -2.822   6.953
  358    HB3  ALA 870           HB3      ALA 870   0.164  -3.850   5.934
  359    H    ILE 871           HN       ILE 871   3.080  -4.380   3.978
  360    HA   ILE 871           HA       ILE 871   1.577  -6.440   2.751
  361    HB   ILE 871           HB       ILE 871   2.998  -6.121   0.786
  362   HG12  ILE 871          HG11      ILE 871   4.569  -4.270   2.598
  363   HG21  ILE 871          HG21      ILE 871   2.351  -3.441   1.989
  364   HG22  ILE 871          HG22      ILE 871   1.108  -4.551   1.403
  365   HG23  ILE 871          HG23      ILE 871   2.310  -3.901   0.290
  366   HD11  ILE 871          HD11      ILE 871   4.905  -4.793  -0.373
  367   HD12  ILE 871          HD12      ILE 871   5.843  -3.673   0.618
  368   HD13  ILE 871          HD13      ILE 871   4.143  -3.353   0.302
  369    H    GLN 872           HN       GLN 872   4.887  -6.301   3.983
  370    HA   GLN 872           HA       GLN 872   5.707  -8.846   3.128
  371    HB2  GLN 872           HB2      GLN 872   6.461  -7.141   5.501
  372    HB3  GLN 872           HB1      GLN 872   7.150  -8.749   5.278
  373    HG2  GLN 872           HG2      GLN 872   7.866  -8.068   2.972
  374    HG3  GLN 872           HG1      GLN 872   7.314  -6.431   3.328
  375   HE21  GLN 872          HE21      GLN 872  10.114  -7.315   2.797
  376   HE22  GLN 872          HE22      GLN 872  10.993  -6.892   4.187
  377    H    LEU 873           HN       LEU 873   3.612  -7.820   5.710
  378    HA   LEU 873           HA       LEU 873   3.530 -10.348   7.061
  379    HB2  LEU 873           HB2      LEU 873   2.313  -7.710   7.373
  380    HB3  LEU 873           HB1      LEU 873   1.182  -9.016   7.716
  381    HG   LEU 873           HG       LEU 873   2.529  -8.256   9.714
  382   HD11  LEU 873          HD11      LEU 873   2.531 -10.376  10.595
  383   HD12  LEU 873          HD12      LEU 873   3.341 -11.079   9.197
  384   HD13  LEU 873          HD13      LEU 873   1.618 -10.704   9.124
  385   HD21  LEU 873          HD21      LEU 873   4.659  -8.278   7.972
  386   HD22  LEU 873          HD22      LEU 873   4.886  -9.806   8.821
  387   HD23  LEU 873          HD23      LEU 873   4.810  -8.299   9.727
  388    H    LEU 874           HN       LEU 874   2.406  -9.443   4.072
  389    HA   LEU 874           HA       LEU 874  -0.049 -11.018   4.192
  390    HB2  LEU 874           HB2      LEU 874   1.223  -9.612   1.833
  391    HB3  LEU 874           HB1      LEU 874  -0.381 -10.337   1.874
  392    HG   LEU 874           HG       LEU 874   0.489  -8.122   3.752
  393   HD11  LEU 874          HD11      LEU 874   0.462  -7.448   1.308
  394   HD12  LEU 874          HD12      LEU 874  -0.682  -6.573   2.325
  395   HD13  LEU 874          HD13      LEU 874  -1.246  -7.879   1.288
  396   HD21  LEU 874          HD21      LEU 874  -2.093  -9.569   3.159
  397   HD22  LEU 874          HD22      LEU 874  -2.123  -7.927   3.794
  398   HD23  LEU 874          HD23      LEU 874  -1.360  -9.215   4.724
  399    HA   PRO 875           HA       PRO 875   2.037 -14.817   3.114
  400    HB2  PRO 875           HB2      PRO 875  -0.578 -15.412   1.819
  401    HB3  PRO 875           HB1      PRO 875   0.341 -16.365   2.999
  402    HG2  PRO 875           HG2      PRO 875  -1.831 -15.043   3.731
  403    HG3  PRO 875           HG1      PRO 875  -0.418 -15.139   4.796
  404    HD2  PRO 875           HD2      PRO 875  -1.376 -12.828   3.156
  405    HD3  PRO 875           HD1      PRO 875  -0.569 -12.839   4.744
  406    H    LYS 876           HN       LYS 876   2.628 -15.991   1.142
  407    HA   LYS 876           HA       LYS 876   1.951 -14.791  -1.420
  Start of MODEL    7
    1    HA   GLN 814           HA       GLN 814 -11.039  -9.588  -1.105
    2    HB2  GLN 814           HB2      GLN 814 -10.358  -9.079   1.801
    3    HB3  GLN 814           HB1      GLN 814 -11.505  -8.066   0.930
    4    HG2  GLN 814           HG2      GLN 814 -12.497 -10.479   0.250
    5    HG3  GLN 814           HG1      GLN 814 -11.776 -10.905   1.802
    6   HE21  GLN 814          HE21      GLN 814 -12.352  -9.208   3.621
    7   HE22  GLN 814          HE22      GLN 814 -13.958  -8.661   3.632
    8    H    THR 815           HN       THR 815 -11.214  -7.052  -0.926
    9    HA   THR 815           HA       THR 815  -8.860  -6.029  -2.208
   10    HB   THR 815           HB       THR 815 -10.884  -4.039  -1.540
   11   HG21  THR 815          HG21      THR 815 -10.049  -5.292  -4.174
   12   HG22  THR 815          HG22      THR 815  -9.224  -3.934  -3.409
   13   HG23  THR 815          HG23      THR 815 -10.888  -3.757  -3.960
   14    H    VAL 816           HN       VAL 816  -7.983  -3.850  -1.568
   15    HA   VAL 816           HA       VAL 816  -6.847  -4.017   0.987
   16    HB   VAL 816           HB       VAL 816  -6.025  -1.681   0.480
   17   HG11  VAL 816          HG11      VAL 816  -5.627  -4.127  -1.123
   18   HG12  VAL 816          HG12      VAL 816  -4.438  -3.082  -0.346
   19   HG13  VAL 816          HG13      VAL 816  -5.102  -2.643  -1.918
   20   HG21  VAL 816          HG21      VAL 816  -8.261  -1.502  -1.116
   21   HG22  VAL 816          HG22      VAL 816  -7.022  -1.896  -2.305
   22   HG23  VAL 816          HG23      VAL 816  -6.842  -0.470  -1.289
   23    H    GLY 817           HN       GLY 817  -7.665  -0.808   0.786
   24    HA2  GLY 817           HA2      GLY 817  -8.860   0.581   2.181
   25    HA3  GLY 817           HA1      GLY 817 -10.203  -0.500   1.833
   26    H    GLN 818           HN       GLN 818 -10.583  -2.281   3.220
   27    HA   GLN 818           HA       GLN 818 -10.462  -1.762   5.949
   28    HB2  GLN 818           HB2      GLN 818 -10.804  -4.343   4.421
   29    HB3  GLN 818           HB1      GLN 818 -10.910  -4.264   6.178
   30    HG2  GLN 818           HG2      GLN 818 -13.153  -4.049   5.317
   31    HG3  GLN 818           HG1      GLN 818 -12.667  -2.470   5.920
   32   HE21  GLN 818          HE21      GLN 818 -14.420  -1.703   4.352
   33   HE22  GLN 818          HE22      GLN 818 -13.988  -1.474   2.728
   34    H    TRP 819           HN       TRP 819  -8.255  -3.589   3.900
   35    HA   TRP 819           HA       TRP 819  -6.571  -4.621   5.916
   36    HB2  TRP 819           HB2      TRP 819  -6.347  -5.383   3.626
   37    HB3  TRP 819           HB1      TRP 819  -5.946  -3.759   3.076
   38    HD1  TRP 819           HD1      TRP 819  -4.559  -6.324   5.637
   39    H    LEU 820           HN       LEU 820  -6.397  -1.623   4.042
   40    HA   LEU 820           HA       LEU 820  -4.164  -0.478   5.307
   41    HB2  LEU 820           HB2      LEU 820  -6.552   0.988   4.167
   42    HB3  LEU 820           HB1      LEU 820  -4.919   1.616   4.376
   43    HG   LEU 820           HG       LEU 820  -5.403  -0.850   2.704
   44   HD11  LEU 820          HD11      LEU 820  -5.931   2.010   2.007
   45   HD12  LEU 820          HD12      LEU 820  -6.777   0.558   1.490
   46   HD13  LEU 820          HD13      LEU 820  -5.215   0.964   0.782
   47   HD21  LEU 820          HD21      LEU 820  -3.339   0.235   1.559
   48   HD22  LEU 820          HD22      LEU 820  -3.107  -0.508   3.141
   49   HD23  LEU 820          HD23      LEU 820  -3.248   1.241   3.004
   50    H    GLU 821           HN       GLU 821  -7.615  -0.341   5.994
   51    HA   GLU 821           HA       GLU 821  -7.489   1.424   8.199
   52    H    SER 822           HN       SER 822  -7.289  -2.082   7.914
   53    HA   SER 822           HA       SER 822  -7.207  -2.739  10.637
   54    HB2  SER 822           HB2      SER 822  -5.657  -4.174   8.478
   55    HB3  SER 822           HB1      SER 822  -6.308  -4.840   9.972
   56    HG   SER 822           HG       SER 822  -7.905  -3.640   7.923
   57    H    ILE 823           HN       ILE 823  -4.581  -1.923   8.384
   58    HA   ILE 823           HA       ILE 823  -2.623  -1.971  10.536
   59    HB   ILE 823           HB       ILE 823  -1.000  -1.358   8.829
   60   HG12  ILE 823          HG11      ILE 823  -3.402  -1.109   6.993
   61   HG21  ILE 823          HG21      ILE 823  -2.338  -3.725   8.945
   62   HG22  ILE 823          HG22      ILE 823  -0.989  -3.426   7.852
   63   HG23  ILE 823          HG23      ILE 823  -2.644  -3.276   7.268
   64   HD11  ILE 823          HD11      ILE 823  -1.444  -0.164   5.500
   65   HD12  ILE 823          HD12      ILE 823  -1.715  -1.905   5.602
   66   HD13  ILE 823          HD13      ILE 823  -0.433  -1.155   6.553
   67    H    GLY 824           HN       GLY 824  -5.030  -0.027  10.144
   68    HA2  GLY 824           HA2      GLY 824  -5.522   2.152  10.648
   69    HA3  GLY 824           HA1      GLY 824  -4.046   2.115  11.602
   70    H    LEU 825           HN       LEU 825  -4.553   1.897   8.073
   71    HA   LEU 825           HA       LEU 825  -2.919   4.352   7.809
   72    HB2  LEU 825           HB2      LEU 825  -2.746   1.760   6.296
   73    HB3  LEU 825           HB1      LEU 825  -2.223   3.263   5.554
   74    HG   LEU 825           HG       LEU 825  -1.138   1.996   8.084
   75   HD11  LEU 825          HD11      LEU 825  -0.414   1.846   5.362
   76   HD12  LEU 825          HD12      LEU 825   0.515   1.271   6.743
   77   HD13  LEU 825          HD13      LEU 825   0.782   2.900   6.115
   78   HD21  LEU 825          HD21      LEU 825   0.463   4.113   7.793
   79   HD22  LEU 825          HD22      LEU 825  -1.027   4.237   8.722
   80   HD23  LEU 825          HD23      LEU 825  -0.975   4.814   7.055
   81    HA   PRO 826           HA       PRO 826  -7.128   4.926   5.734
   82    HB2  PRO 826           HB2      PRO 826  -6.661   7.586   6.965
   83    HB3  PRO 826           HB1      PRO 826  -8.137   6.610   6.911
   84    HG2  PRO 826           HG2      PRO 826  -6.726   6.849   9.154
   85    HG3  PRO 826           HG1      PRO 826  -7.540   5.334   8.723
   86    HD2  PRO 826           HD2      PRO 826  -4.628   5.993   8.611
   87    HD3  PRO 826           HD1      PRO 826  -5.435   4.449   8.952
   88    H    GLN 827           HN       GLN 827  -7.567   6.673   4.098
   89    HA   GLN 827           HA       GLN 827  -7.022   7.941   2.278
   90    HB2  GLN 827           HB2      GLN 827  -4.577   8.651   3.924
   91    HB3  GLN 827           HB1      GLN 827  -5.068   9.460   2.441
   92    HG2  GLN 827           HG2      GLN 827  -6.812   9.245   4.914
   93    HG3  GLN 827           HG1      GLN 827  -5.837  10.654   4.504
   94   HE21  GLN 827          HE21      GLN 827  -8.904   9.260   4.081
   95   HE22  GLN 827          HE22      GLN 827  -9.428  10.226   2.788
   96    H    TYR 828           HN       TYR 828  -5.968   5.128   2.686
   97    HA   TYR 828           HA       TYR 828  -3.833   5.176   0.620
   98    HB2  TYR 828           HB2      TYR 828  -4.236   3.600   3.049
   99    HB3  TYR 828           HB1      TYR 828  -3.985   2.611   1.625
  100    HH   TYR 828           HH       TYR 828   2.118   3.743   2.926
  101    H    GLU 829           HN       GLU 829  -7.087   4.637   1.136
  102    HA   GLU 829           HA       GLU 829  -7.498   2.292  -0.426
  103    H    ASN 830           HN       ASN 830  -8.799   5.489  -1.208
  104    HA   ASN 830           HA       ASN 830  -9.095   5.134  -3.919
  105    HB2  ASN 830           HB2      ASN 830  -8.908   7.439  -2.131
  106    HB3  ASN 830           HB1      ASN 830  -8.255   7.781  -3.730
  107   HD21  ASN 830          HD21      ASN 830 -11.091   5.920  -2.461
  108   HD22  ASN 830          HD22      ASN 830 -12.192   6.602  -3.559
  109    H    HIS 831           HN       HIS 831  -6.220   5.916  -2.094
  110    HA   HIS 831           HA       HIS 831  -4.478   6.568  -4.195
  111    HB2  HIS 831           HB2      HIS 831  -4.173   5.557  -1.414
  112    HB3  HIS 831           HB1      HIS 831  -2.795   5.340  -2.488
  113    H    LEU 832           HN       LEU 832  -4.920   3.403  -2.577
  114    HA   LEU 832           HA       LEU 832  -3.399   1.997  -4.533
  115    HB2  LEU 832           HB2      LEU 832  -4.969   1.322  -2.125
  116    HB3  LEU 832           HB1      LEU 832  -4.926   0.071  -3.360
  117    HG   LEU 832           HG       LEU 832  -2.362   0.509  -3.434
  118   HD11  LEU 832          HD11      LEU 832  -1.415   1.382  -1.356
  119   HD12  LEU 832          HD12      LEU 832  -3.032   1.646  -0.707
  120   HD13  LEU 832          HD13      LEU 832  -2.468   2.594  -2.083
  121   HD21  LEU 832          HD21      LEU 832  -3.327  -1.556  -2.540
  122   HD22  LEU 832          HD22      LEU 832  -3.688  -0.755  -1.010
  123   HD23  LEU 832          HD23      LEU 832  -2.014  -1.022  -1.494
  124    H    MET 833           HN       MET 833  -6.843   2.531  -3.986
  125    HA   MET 833           HA       MET 833  -7.835   0.841  -5.995
  126    HB2  MET 833           HB2      MET 833  -8.991   2.481  -4.137
  127    HB3  MET 833           HB1      MET 833  -9.294   3.379  -5.620
  128    HG2  MET 833           HG2      MET 833 -11.096   1.711  -5.029
  129    HG3  MET 833           HG1      MET 833 -10.401   1.491  -6.634
  130    HE1  MET 833           HE1      MET 833  -8.453   0.343  -3.195
  131    HE2  MET 833           HE2      MET 833  -9.646  -0.897  -2.826
  132    HE3  MET 833           HE3      MET 833 -10.161   0.774  -3.015
  133    H    ALA 834           HN       ALA 834  -7.187   4.349  -6.135
  134    HA   ALA 834           HA       ALA 834  -7.633   4.664  -8.898
  135    HB1  ALA 834           HB1      ALA 834  -6.321   6.709  -8.714
  136    HB2  ALA 834           HB2      ALA 834  -5.647   6.175  -7.176
  137    HB3  ALA 834           HB3      ALA 834  -7.362   6.560  -7.300
  138    H    ASN 835           HN       ASN 835  -4.808   3.726  -7.043
  139    HA   ASN 835           HA       ASN 835  -3.031   3.539  -9.298
  140    HB2  ASN 835           HB2      ASN 835  -2.320   3.865  -6.897
  141    HB3  ASN 835           HB1      ASN 835  -2.764   2.186  -6.609
  142   HD21  ASN 835          HD21      ASN 835  -0.366   1.963  -6.094
  143   HD22  ASN 835          HD22      ASN 835   0.714   1.714  -7.376
  144    H    GLY 836           HN       GLY 836  -5.724   1.858  -8.590
  145    HA2  GLY 836           HA2      GLY 836  -6.567  -0.192  -9.174
  146    HA3  GLY 836           HA1      GLY 836  -5.323  -0.201 -10.420
  147    H    PHE 837           HN       PHE 837  -4.726  -0.064  -6.959
  148    HA   PHE 837           HA       PHE 837  -3.280  -2.619  -7.206
  149    HB2  PHE 837           HB2      PHE 837  -2.401  -0.225  -6.195
  150    HB3  PHE 837           HB1      PHE 837  -2.893  -1.079  -4.734
  151    HZ   PHE 837           HZ       PHE 837   1.858  -4.223  -6.023
  152    H    ASP 838           HN       ASP 838  -4.642  -4.228  -6.752
  153    HA   ASP 838           HA       ASP 838  -5.801  -4.281  -4.062
  154    H    ASN 839           HN       ASN 839  -4.844  -5.899  -3.122
  155    HA   ASN 839           HA       ASN 839  -5.004  -8.474  -3.162
  156    HB2  ASN 839           HB2      ASN 839  -3.345  -9.499  -4.715
  157    HB3  ASN 839           HB1      ASN 839  -4.707  -8.785  -5.553
  158   HD21  ASN 839          HD21      ASN 839  -2.846  -8.920  -7.327
  159   HD22  ASN 839          HD22      ASN 839  -1.890  -7.528  -7.487
  160    H    VAL 840           HN       VAL 840  -4.213  -6.992  -1.285
  161    HA   VAL 840           HA       VAL 840  -1.627  -6.249  -0.842
  162    HB   VAL 840           HB       VAL 840  -2.051  -6.617   1.563
  163   HG11  VAL 840          HG11      VAL 840  -2.942  -4.603   0.754
  164   HG12  VAL 840          HG12      VAL 840  -4.309  -5.355   1.575
  165   HG13  VAL 840          HG13      VAL 840  -4.191  -5.419  -0.181
  166   HG21  VAL 840          HG21      VAL 840  -4.449  -8.137   0.485
  167   HG22  VAL 840          HG22      VAL 840  -4.378  -7.516   2.132
  168   HG23  VAL 840          HG23      VAL 840  -3.215  -8.725   1.600
  169    H    GLN 841           HN       GLN 841  -2.953  -9.513  -0.394
  170    HA   GLN 841           HA       GLN 841  -0.679 -10.777   0.606
  171    HB2  GLN 841           HB2      GLN 841  -3.079 -11.724   0.150
  172    HB3  GLN 841           HB1      GLN 841  -2.433 -12.133  -1.438
  173    HG2  GLN 841           HG2      GLN 841  -1.129 -12.960   1.175
  174    HG3  GLN 841           HG1      GLN 841  -2.223 -13.988   0.254
  175   HE21  GLN 841          HE21      GLN 841   0.834 -14.117   0.812
  176   HE22  GLN 841          HE22      GLN 841   1.496 -14.342  -0.738
  177    H    PHE 842           HN       PHE 842  -1.703 -10.383  -2.773
  178    HA   PHE 842           HA       PHE 842   0.649 -11.432  -3.953
  179    HB2  PHE 842           HB2      PHE 842  -1.425 -11.152  -5.236
  180    HB3  PHE 842           HB1      PHE 842  -1.330  -9.405  -5.022
  181    HZ   PHE 842           HZ       PHE 842   2.380  -9.934  -9.501
  182    H    MET 843           HN       MET 843  -0.399  -8.125  -3.203
  183    HA   MET 843           HA       MET 843   1.715  -6.625  -4.121
  184    HB2  MET 843           HB2      MET 843  -0.377  -5.844  -2.850
  185    HB3  MET 843           HB1      MET 843   0.517  -6.203  -1.378
  186    HG2  MET 843           HG2      MET 843   2.327  -4.670  -2.117
  187    HG3  MET 843           HG1      MET 843   1.378  -4.265  -3.546
  188    HE1  MET 843           HE1      MET 843   0.612  -1.635  -3.214
  189    HE2  MET 843           HE2      MET 843   2.174  -2.043  -2.510
  190    HE3  MET 843           HE3      MET 843   1.043  -1.046  -1.600
  191    H    GLY 844           HN       GLY 844   1.485  -8.103  -0.895
  192    HA2  GLY 844           HA2      GLY 844   4.184  -7.530  -0.174
  193    HA3  GLY 844           HA1      GLY 844   3.105  -8.654   0.647
  194    H    SER 845           HN       SER 845   2.600 -10.198  -1.781
  195    HA   SER 845           HA       SER 845   4.992 -11.858  -1.631
  196    HB2  SER 845           HB2      SER 845   2.205 -12.302  -2.662
  197    HB3  SER 845           HB1      SER 845   3.506 -13.440  -2.971
  198    HG   SER 845           HG       SER 845   2.320 -12.642  -0.533
  199    H    ASN 846           HN       ASN 846   4.370  -9.294  -3.497
  200    HA   ASN 846           HA       ASN 846   5.565 -10.598  -5.877
  201    HB2  ASN 846           HB2      ASN 846   3.318 -10.166  -6.484
  202    HB3  ASN 846           HB1      ASN 846   3.362  -8.549  -5.786
  203   HD21  ASN 846          HD21      ASN 846   4.728 -10.511  -8.447
  204   HD22  ASN 846          HD22      ASN 846   5.079  -9.184  -9.444
  205    H    VAL 847           HN       VAL 847   4.992  -7.314  -4.518
  206    HA   VAL 847           HA       VAL 847   7.813  -6.741  -4.869
  207    HB   VAL 847           HB       VAL 847   6.850  -6.344  -7.121
  208   HG11  VAL 847          HG11      VAL 847   5.335  -4.066  -5.821
  209   HG12  VAL 847          HG12      VAL 847   4.589  -5.614  -6.219
  210   HG13  VAL 847          HG13      VAL 847   5.250  -4.599  -7.499
  211   HG21  VAL 847          HG21      VAL 847   7.667  -3.767  -5.735
  212   HG22  VAL 847          HG22      VAL 847   7.887  -4.174  -7.435
  213   HG23  VAL 847          HG23      VAL 847   8.806  -5.032  -6.201
  214    H    MET 848           HN       MET 848   8.545  -4.953  -3.797
  215    HA   MET 848           HA       MET 848   6.589  -3.411  -2.228
  216    HB2  MET 848           HB2      MET 848   8.936  -3.349  -0.714
  217    HB3  MET 848           HB1      MET 848   7.485  -4.266  -0.325
  218    HG2  MET 848           HG2      MET 848   8.342  -6.245  -1.376
  219    HG3  MET 848           HG1      MET 848   9.679  -5.361  -2.109
  220    HE1  MET 848           HE1      MET 848  11.091  -3.592   0.018
  221    HE2  MET 848           HE2      MET 848  11.674  -4.713  -1.208
  222    HE3  MET 848           HE3      MET 848  12.263  -4.849   0.444
  223    H    GLU 849           HN       GLU 849   6.639  -1.593  -3.430
  224    HA   GLU 849           HA       GLU 849   9.289  -0.452  -4.046
  225    H    ASP 850           HN       ASP 850   9.745   1.320  -3.042
  226    HA   ASP 850           HA       ASP 850   7.919   2.889  -1.533
  227    H    GLN 851           HN       GLN 851   9.219   2.961  -4.761
  228    HA   GLN 851           HA       GLN 851   8.489   5.492  -5.632
  229    HB2  GLN 851           HB2      GLN 851   8.142   3.151  -7.470
  230    HB3  GLN 851           HB1      GLN 851   8.848   4.732  -7.793
  231    HG2  GLN 851           HG2      GLN 851  10.722   4.068  -6.179
  232    HG3  GLN 851           HG1      GLN 851  10.072   2.431  -6.263
  233   HE21  GLN 851          HE21      GLN 851  11.060   1.178  -7.830
  234   HE22  GLN 851          HE22      GLN 851  11.742   1.778  -9.268
  235    H    ASP 852           HN       ASP 852   6.554   2.490  -5.743
  236    HA   ASP 852           HA       ASP 852   4.273   3.572  -6.944
  237    H    LEU 853           HN       LEU 853   5.180   3.394  -3.542
  238    HA   LEU 853           HA       LEU 853   2.841   4.573  -2.482
  239    HB2  LEU 853           HB2      LEU 853   5.666   4.805  -1.416
  240    HB3  LEU 853           HB1      LEU 853   4.175   5.052  -0.511
  241    HG   LEU 853           HG       LEU 853   4.621   2.429  -1.923
  242   HD11  LEU 853          HD11      LEU 853   6.390   3.439   0.047
  243   HD12  LEU 853          HD12      LEU 853   6.294   1.796  -0.579
  244   HD13  LEU 853          HD13      LEU 853   5.370   2.246   0.849
  245   HD21  LEU 853          HD21      LEU 853   2.431   2.737  -0.990
  246   HD22  LEU 853          HD22      LEU 853   3.087   3.388   0.513
  247   HD23  LEU 853          HD23      LEU 853   3.292   1.681   0.127
  248    H    LEU 854           HN       LEU 854   5.804   5.888  -3.828
  249    HA   LEU 854           HA       LEU 854   5.133   8.629  -3.274
  250    HB2  LEU 854           HB2      LEU 854   7.340   7.186  -4.524
  251    HB3  LEU 854           HB1      LEU 854   6.900   8.630  -5.436
  252    HG   LEU 854           HG       LEU 854   7.096  10.012  -3.425
  253   HD11  LEU 854          HD11      LEU 854   8.152   8.821  -1.380
  254   HD12  LEU 854          HD12      LEU 854   7.529   7.338  -2.103
  255   HD13  LEU 854          HD13      LEU 854   6.421   8.630  -1.642
  256   HD21  LEU 854          HD21      LEU 854   9.561   8.283  -3.404
  257   HD22  LEU 854          HD22      LEU 854   9.437  10.037  -3.300
  258   HD23  LEU 854          HD23      LEU 854   9.155   9.225  -4.839
  259    H    GLU 855           HN       GLU 855   4.903   6.483  -6.069
  260    HA   GLU 855           HA       GLU 855   3.946   8.240  -7.977
  261    H    ILE 856           HN       ILE 856   2.024   6.309  -5.652
  262    HA   ILE 856           HA       ILE 856  -0.423   7.620  -6.359
  263    HB   ILE 856           HB       ILE 856  -1.425   6.457  -4.500
  264   HG12  ILE 856          HG11      ILE 856   1.438   6.027  -3.618
  265   HG21  ILE 856          HG21      ILE 856   0.654   4.491  -5.406
  266   HG22  ILE 856          HG22      ILE 856  -0.439   5.199  -6.595
  267   HG23  ILE 856          HG23      ILE 856  -1.088   4.282  -5.235
  268   HD11  ILE 856          HD11      ILE 856  -0.993   4.399  -3.149
  269   HD12  ILE 856          HD12      ILE 856  -0.070   4.809  -1.705
  270   HD13  ILE 856          HD13      ILE 856   0.707   3.949  -3.034
  271    H    GLY 857           HN       GLY 857   2.254   8.463  -4.436
  272    HA2  GLY 857           HA2      GLY 857   2.667  10.673  -3.756
  273    HA3  GLY 857           HA1      GLY 857   0.941  10.973  -3.734
  274    H    ILE 858           HN       ILE 858   2.731   8.364  -2.072
  275    HA   ILE 858           HA       ILE 858   1.500   9.116   0.456
  276    HB   ILE 858           HB       ILE 858   3.621   7.025  -0.118
  277   HG12  ILE 858          HG11      ILE 858   1.480   6.622  -1.338
  278   HG21  ILE 858          HG21      ILE 858   3.166   6.160   2.045
  279   HG22  ILE 858          HG22      ILE 858   1.729   7.161   2.234
  280   HG23  ILE 858          HG23      ILE 858   3.329   7.899   2.277
  281   HD11  ILE 858          HD11      ILE 858  -0.128   7.764   0.056
  282   HD12  ILE 858          HD12      ILE 858   0.315   6.789   1.458
  283   HD13  ILE 858          HD13      ILE 858  -0.537   6.049   0.105
  284    H    LEU 859           HN       LEU 859   2.304  10.740   1.627
  285    HA   LEU 859           HA       LEU 859   4.987  11.703   1.151
  286    HB2  LEU 859           HB2      LEU 859   4.215  13.350   3.063
  287    HB3  LEU 859           HB1      LEU 859   3.616  13.518   1.417
  288    HG   LEU 859           HG       LEU 859   2.052  11.664   3.135
  289   HD11  LEU 859          HD11      LEU 859   2.057  14.651   3.622
  290   HD12  LEU 859          HD12      LEU 859   2.583  13.415   4.762
  291   HD13  LEU 859          HD13      LEU 859   0.891  13.508   4.285
  292   HD21  LEU 859          HD21      LEU 859   1.151  14.033   1.481
  293   HD22  LEU 859          HD22      LEU 859   0.222  12.601   1.920
  294   HD23  LEU 859          HD23      LEU 859   1.538  12.475   0.751
  295    H    ASN 860           HN       ASN 860   3.380  11.303   4.308
  296    HA   ASN 860           HA       ASN 860   5.733  11.054   5.767
  297    HB2  ASN 860           HB2      ASN 860   4.191   9.809   7.459
  298    HB3  ASN 860           HB1      ASN 860   3.873  11.497   7.091
  299   HD21  ASN 860          HD21      ASN 860   2.113   8.956   7.766
  300   HD22  ASN 860          HD22      ASN 860   0.856   9.083   6.638
  301    H    SER 861           HN       SER 861   7.277   9.646   5.269
  302    HA   SER 861           HA       SER 861   7.106   7.237   4.010
  303    HB2  SER 861           HB2      SER 861   9.058   7.929   6.204
  304    HB3  SER 861           HB1      SER 861   9.261   6.659   5.002
  305    HG   SER 861           HG       SER 861   9.712   9.320   4.806
  306    H    GLY 862           HN       GLY 862   6.250   7.862   7.306
  307    HA2  GLY 862           HA2      GLY 862   6.356   5.289   8.394
  308    HA3  GLY 862           HA1      GLY 862   5.151   6.506   8.825
  309    H    HIS 863           HN       HIS 863   4.052   6.828   6.243
  310    HA   HIS 863           HA       HIS 863   2.173   4.674   6.179
  311    HB2  HIS 863           HB2      HIS 863   2.695   7.111   4.519
  312    HB3  HIS 863           HB1      HIS 863   1.600   5.881   3.922
  313    H    ARG 864           HN       ARG 864   5.038   5.563   4.358
  314    HA   ARG 864           HA       ARG 864   4.780   3.547   2.345
  315    H    GLN 865           HN       GLN 865   6.777   3.865   5.249
  316    HA   GLN 865           HA       GLN 865   7.954   1.328   5.239
  317    HB2  GLN 865           HB2      GLN 865   7.229   3.087   7.592
  318    HB3  GLN 865           HB1      GLN 865   8.327   1.709   7.652
  319    HG2  GLN 865           HG2      GLN 865   9.958   2.771   6.379
  320    HG3  GLN 865           HG1      GLN 865   8.809   3.879   5.632
  321   HE21  GLN 865          HE21      GLN 865  11.138   3.623   8.105
  322   HE22  GLN 865          HE22      GLN 865  10.718   5.029   8.957
  323    H    ARG 866           HN       ARG 866   5.018   2.444   6.930
  324    HA   ARG 866           HA       ARG 866   4.406   0.001   8.140
  325    H    ILE 867           HN       ILE 867   3.290   1.304   5.008
  326    HA   ILE 867           HA       ILE 867   1.723  -0.910   4.296
  327    HB   ILE 867           HB       ILE 867   3.212   1.136   2.648
  328   HG12  ILE 867          HG11      ILE 867   1.121   1.703   4.015
  329   HG21  ILE 867          HG21      ILE 867   3.171  -0.678   1.140
  330   HG22  ILE 867          HG22      ILE 867   1.684   0.189   0.765
  331   HG23  ILE 867          HG23      ILE 867   1.625  -1.270   1.750
  332   HD11  ILE 867          HD11      ILE 867  -1.016   0.938   3.134
  333   HD12  ILE 867          HD12      ILE 867  -0.044  -0.469   3.558
  334   HD13  ILE 867          HD13      ILE 867  -0.205   0.017   1.870
  335    H    LEU 868           HN       LEU 868   5.119  -0.173   3.493
  336    HA   LEU 868           HA       LEU 868   5.693  -2.516   2.102
  337    HB2  LEU 868           HB2      LEU 868   7.162  -0.317   2.972
  338    HB3  LEU 868           HB1      LEU 868   7.906  -1.672   3.818
  339    HG   LEU 868           HG       LEU 868   7.907  -2.882   1.541
  340   HD11  LEU 868          HD11      LEU 868   6.415  -1.503   0.270
  341   HD12  LEU 868          HD12      LEU 868   8.026  -1.210  -0.386
  342   HD13  LEU 868          HD13      LEU 868   7.293  -0.037   0.706
  343   HD21  LEU 868          HD21      LEU 868   9.979  -1.664   0.824
  344   HD22  LEU 868          HD22      LEU 868   9.963  -2.035   2.549
  345   HD23  LEU 868          HD23      LEU 868   9.598  -0.400   1.995
  346    H    GLN 869           HN       GLN 869   6.175  -1.841   5.540
  347    HA   GLN 869           HA       GLN 869   6.977  -4.430   6.281
  348    HB2  GLN 869           HB2      GLN 869   5.606  -2.233   7.835
  349    HB3  GLN 869           HB1      GLN 869   6.163  -3.737   8.572
  350    HG2  GLN 869           HG2      GLN 869   8.074  -2.193   6.860
  351    HG3  GLN 869           HG1      GLN 869   7.748  -1.609   8.486
  352   HE21  GLN 869          HE21      GLN 869   9.109  -4.318   6.651
  353   HE22  GLN 869          HE22      GLN 869   9.871  -5.052   7.980
  354    H    ALA 870           HN       ALA 870   3.775  -2.923   6.173
  355    HA   ALA 870           HA       ALA 870   2.334  -5.045   7.275
  356    HB1  ALA 870           HB1      ALA 870   1.398  -2.786   6.894
  357    HB2  ALA 870           HB2      ALA 870   0.368  -4.054   6.238
  358    HB3  ALA 870           HB3      ALA 870   1.386  -3.099   5.159
  359    H    ILE 871           HN       ILE 871   3.041  -4.345   3.824
  360    HA   ILE 871           HA       ILE 871   1.761  -6.719   2.942
  361    HB   ILE 871           HB       ILE 871   2.805  -6.311   0.782
  362   HG12  ILE 871          HG11      ILE 871   4.293  -4.038   2.118
  363   HG21  ILE 871          HG21      ILE 871   0.852  -4.918   1.652
  364   HG22  ILE 871          HG22      ILE 871   1.753  -4.258   0.289
  365   HG23  ILE 871          HG23      ILE 871   2.032  -3.633   1.911
  366   HD11  ILE 871          HD11      ILE 871   5.352  -3.751  -0.027
  367   HD12  ILE 871          HD12      ILE 871   3.612  -3.806  -0.303
  368   HD13  ILE 871          HD13      ILE 871   4.604  -5.222  -0.654
  369    H    GLN 872           HN       GLN 872   5.111  -5.897   3.711
  370    HA   GLN 872           HA       GLN 872   6.342  -8.285   2.922
  371    HB2  GLN 872           HB2      GLN 872   6.968  -6.283   5.088
  372    HB3  GLN 872           HB1      GLN 872   7.955  -7.726   4.868
  373    HG2  GLN 872           HG2      GLN 872   8.220  -7.073   2.441
  374    HG3  GLN 872           HG1      GLN 872   7.442  -5.543   2.828
  375   HE21  GLN 872          HE21      GLN 872  10.421  -6.648   2.277
  376   HE22  GLN 872          HE22      GLN 872  11.322  -5.734   3.384
  377    H    LEU 873           HN       LEU 873   4.605  -7.452   5.869
  378    HA   LEU 873           HA       LEU 873   5.215  -9.937   7.183
  379    HB2  LEU 873           HB2      LEU 873   3.703  -7.478   7.830
  380    HB3  LEU 873           HB1      LEU 873   3.127  -8.949   8.606
  381    HG   LEU 873           HG       LEU 873   4.911  -7.661   9.891
  382   HD11  LEU 873          HD11      LEU 873   5.560  -9.613  10.871
  383   HD12  LEU 873          HD12      LEU 873   6.117 -10.313   9.354
  384   HD13  LEU 873          HD13      LEU 873   4.400 -10.336   9.757
  385   HD21  LEU 873          HD21      LEU 873   6.855  -8.900   7.933
  386   HD22  LEU 873          HD22      LEU 873   7.155  -7.656   9.144
  387   HD23  LEU 873          HD23      LEU 873   6.243  -7.263   7.690
  388    H    LEU 874           HN       LEU 874   2.845  -8.990   4.876
  389    HA   LEU 874           HA       LEU 874   0.675 -10.611   5.595
  390    HB2  LEU 874           HB2      LEU 874   1.704  -9.760   2.886
  391    HB3  LEU 874           HB1      LEU 874   0.258 -10.745   3.064
  392    HG   LEU 874           HG       LEU 874   0.628  -8.107   4.507
  393   HD11  LEU 874          HD11      LEU 874   0.586  -8.101   1.876
  394   HD12  LEU 874          HD12      LEU 874  -0.432  -6.975   2.773
  395   HD13  LEU 874          HD13      LEU 874  -1.127  -8.449   2.101
  396   HD21  LEU 874          HD21      LEU 874  -1.070  -9.380   5.578
  397   HD22  LEU 874          HD22      LEU 874  -1.672 -10.019   4.046
  398   HD23  LEU 874          HD23      LEU 874  -1.953  -8.333   4.469
  399    HA   PRO 875           HA       PRO 875   2.019 -14.787   5.341
  400    HB2  PRO 875           HB2      PRO 875  -0.148 -15.848   3.892
  401    HB3  PRO 875           HB1      PRO 875  -0.041 -15.697   5.656
  402    HG2  PRO 875           HG2      PRO 875  -1.420 -13.958   3.691
  403    HG3  PRO 875           HG1      PRO 875  -1.857 -14.347   5.364
  404    HD2  PRO 875           HD2      PRO 875  -0.811 -11.949   4.718
  405    HD3  PRO 875           HD1      PRO 875  -0.429 -12.745   6.262
  406    H    LYS 876           HN       LYS 876   3.666 -15.285   4.016
  407    HA   LYS 876           HA       LYS 876   3.722 -14.578   1.245
  Start of MODEL    8
    1    HA   GLN 814           HA       GLN 814  -8.903  -9.848   0.150
    2    HB2  GLN 814           HB2      GLN 814 -10.049  -8.008   2.273
    3    HB3  GLN 814           HB1      GLN 814 -10.874  -8.259   0.738
    4    HG2  GLN 814           HG2      GLN 814 -10.628 -10.789   1.242
    5    HG3  GLN 814           HG1      GLN 814 -10.299 -10.279   2.897
    6   HE21  GLN 814          HE21      GLN 814 -12.210 -10.591   4.041
    7   HE22  GLN 814          HE22      GLN 814 -13.746 -10.100   3.511
    8    H    THR 815           HN       THR 815 -10.326  -7.289  -0.439
    9    HA   THR 815           HA       THR 815  -8.298  -6.133  -2.101
   10    HB   THR 815           HB       THR 815 -10.298  -4.512  -2.593
   11   HG21  THR 815          HG21      THR 815 -11.326  -6.315  -4.050
   12   HG22  THR 815          HG22      THR 815 -10.242  -7.463  -3.265
   13   HG23  THR 815          HG23      THR 815  -9.581  -6.133  -4.211
   14    H    VAL 816           HN       VAL 816  -8.053  -3.690  -2.151
   15    HA   VAL 816           HA       VAL 816  -6.934  -2.875   0.270
   16    HB   VAL 816           HB       VAL 816  -7.009  -0.540  -0.827
   17   HG11  VAL 816          HG11      VAL 816  -5.310  -1.294  -2.543
   18   HG12  VAL 816          HG12      VAL 816  -5.711  -2.954  -2.108
   19   HG13  VAL 816          HG13      VAL 816  -5.012  -1.871  -0.905
   20   HG21  VAL 816          HG21      VAL 816  -7.391  -1.655  -3.474
   21   HG22  VAL 816          HG22      VAL 816  -8.199  -0.278  -2.733
   22   HG23  VAL 816          HG23      VAL 816  -8.848  -1.899  -2.513
   23    H    GLY 817           HN       GLY 817  -8.135  -2.807   2.029
   24    HA2  GLY 817           HA2      GLY 817  -9.891  -0.638   2.531
   25    HA3  GLY 817           HA1      GLY 817 -10.803  -2.136   2.348
   26    H    GLN 818           HN       GLN 818 -10.562  -3.803   3.874
   27    HA   GLN 818           HA       GLN 818 -10.118  -3.108   6.535
   28    HB2  GLN 818           HB2      GLN 818  -9.644  -5.879   5.418
   29    HB3  GLN 818           HB1      GLN 818 -10.139  -5.448   7.051
   30    HG2  GLN 818           HG2      GLN 818 -12.264  -5.749   6.346
   31    HG3  GLN 818           HG1      GLN 818 -12.078  -4.233   5.471
   32   HE21  GLN 818          HE21      GLN 818 -13.505  -6.890   4.783
   33   HE22  GLN 818          HE22      GLN 818 -12.932  -7.252   3.229
   34    H    TRP 819           HN       TRP 819  -7.881  -4.046   4.066
   35    HA   TRP 819           HA       TRP 819  -5.647  -4.714   5.624
   36    HB2  TRP 819           HB2      TRP 819  -5.897  -4.919   3.098
   37    HB3  TRP 819           HB1      TRP 819  -5.542  -3.194   3.015
   38    HD1  TRP 819           HD1      TRP 819  -3.972  -6.311   4.704
   39    H    LEU 820           HN       LEU 820  -6.568  -1.589   4.196
   40    HA   LEU 820           HA       LEU 820  -4.572  -0.012   5.353
   41    HB2  LEU 820           HB2      LEU 820  -7.397   0.623   4.503
   42    HB3  LEU 820           HB1      LEU 820  -6.272   1.854   5.079
   43    HG   LEU 820           HG       LEU 820  -5.213   0.001   3.008
   44   HD11  LEU 820          HD11      LEU 820  -7.526   0.485   2.212
   45   HD12  LEU 820          HD12      LEU 820  -6.275   1.173   1.175
   46   HD13  LEU 820          HD13      LEU 820  -7.156   2.208   2.301
   47   HD21  LEU 820          HD21      LEU 820  -4.088   2.036   4.130
   48   HD22  LEU 820          HD22      LEU 820  -5.142   3.015   3.111
   49   HD23  LEU 820          HD23      LEU 820  -3.976   1.912   2.374
   50    H    GLU 821           HN       GLU 821  -7.685  -1.091   6.558
   51    HA   GLU 821           HA       GLU 821  -7.609   0.388   9.003
   52    H    SER 822           HN       SER 822  -6.712  -2.901   8.064
   53    HA   SER 822           HA       SER 822  -5.886  -3.907  10.526
   54    HB2  SER 822           HB2      SER 822  -4.499  -4.464   7.895
   55    HB3  SER 822           HB1      SER 822  -4.601  -5.516   9.298
   56    HG   SER 822           HG       SER 822  -6.879  -4.568   7.842
   57    H    ILE 823           HN       ILE 823  -3.960  -2.187   8.072
   58    HA   ILE 823           HA       ILE 823  -1.667  -1.991   9.812
   59    HB   ILE 823           HB       ILE 823  -0.687  -0.633   8.030
   60   HG12  ILE 823          HG11      ILE 823  -3.515  -0.688   6.952
   61   HG21  ILE 823          HG21      ILE 823  -0.718  -2.291   6.273
   62   HG22  ILE 823          HG22      ILE 823  -2.275  -2.908   6.814
   63   HG23  ILE 823          HG23      ILE 823  -0.839  -3.147   7.810
   64   HD11  ILE 823          HD11      ILE 823  -2.343   0.584   4.991
   65   HD12  ILE 823          HD12      ILE 823  -2.301  -1.179   5.013
   66   HD13  ILE 823          HD13      ILE 823  -0.894  -0.259   5.542
   67    H    GLY 824           HN       GLY 824  -4.595  -0.363   9.523
   68    HA2  GLY 824           HA2      GLY 824  -5.462   1.465  10.597
   69    HA3  GLY 824           HA1      GLY 824  -4.004   1.485  11.583
   70    H    LEU 825           HN       LEU 825  -4.438   1.876   8.073
   71    HA   LEU 825           HA       LEU 825  -3.333   4.611   8.321
   72    HB2  LEU 825           HB2      LEU 825  -2.588   2.603   6.189
   73    HB3  LEU 825           HB1      LEU 825  -1.991   4.253   6.324
   74    HG   LEU 825           HG       LEU 825  -1.641   2.246   8.565
   75   HD11  LEU 825          HD11      LEU 825  -0.572   1.823   6.108
   76   HD12  LEU 825          HD12      LEU 825   0.222   1.362   7.607
   77   HD13  LEU 825          HD13      LEU 825   0.656   2.875   6.809
   78   HD21  LEU 825          HD21      LEU 825  -1.361   4.679   9.062
   79   HD22  LEU 825          HD22      LEU 825  -0.132   4.765   7.799
   80   HD23  LEU 825          HD23      LEU 825   0.149   3.784   9.234
   81    HA   PRO 826           HA       PRO 826  -7.228   4.337   5.663
   82    HB2  PRO 826           HB2      PRO 826  -8.686   6.124   7.148
   83    HB3  PRO 826           HB1      PRO 826  -8.736   4.367   7.397
   84    HG2  PRO 826           HG2      PRO 826  -7.258   6.453   8.923
   85    HG3  PRO 826           HG1      PRO 826  -8.086   5.000   9.508
   86    HD2  PRO 826           HD2      PRO 826  -5.381   5.119   9.247
   87    HD3  PRO 826           HD1      PRO 826  -6.298   3.609   9.030
   88    H    GLN 827           HN       GLN 827  -6.957   5.606   3.929
   89    HA   GLN 827           HA       GLN 827  -7.330   8.194   3.473
   90    HB2  GLN 827           HB2      GLN 827  -5.129   9.358   3.574
   91    HB3  GLN 827           HB1      GLN 827  -5.745   8.961   5.169
   92    HG2  GLN 827           HG2      GLN 827  -4.316   6.709   4.689
   93    HG3  GLN 827           HG1      GLN 827  -3.418   7.840   3.683
   94   HE21  GLN 827          HE21      GLN 827  -4.992   8.180   6.896
   95   HE22  GLN 827          HE22      GLN 827  -3.605   8.784   7.670
   96    H    TYR 828           HN       TYR 828  -5.494   5.388   2.844
   97    HA   TYR 828           HA       TYR 828  -4.709   6.356   0.173
   98    HB2  TYR 828           HB2      TYR 828  -3.801   3.830   1.557
   99    HB3  TYR 828           HB1      TYR 828  -3.120   4.565   0.110
  100    HH   TYR 828           HH       TYR 828  -0.767   8.332   5.000
  101    H    GLU 829           HN       GLU 829  -7.195   4.721   1.586
  102    HA   GLU 829           HA       GLU 829  -7.721   2.448   0.158
  103    H    ASN 830           HN       ASN 830  -9.196   5.522  -0.817
  104    HA   ASN 830           HA       ASN 830  -9.778   4.739  -3.445
  105    HB2  ASN 830           HB2      ASN 830 -10.955   6.635  -3.013
  106    HB3  ASN 830           HB1      ASN 830  -9.715   7.294  -1.953
  107   HD21  ASN 830          HD21      ASN 830 -10.701   7.008  -5.355
  108   HD22  ASN 830          HD22      ASN 830  -9.661   8.221  -5.930
  109    H    HIS 831           HN       HIS 831  -6.939   6.203  -2.020
  110    HA   HIS 831           HA       HIS 831  -5.546   6.990  -4.294
  111    HB2  HIS 831           HB2      HIS 831  -4.946   7.205  -1.759
  112    HB3  HIS 831           HB1      HIS 831  -4.122   5.665  -2.000
  113    H    LEU 832           HN       LEU 832  -5.264   3.864  -2.580
  114    HA   LEU 832           HA       LEU 832  -3.668   2.633  -4.547
  115    HB2  LEU 832           HB2      LEU 832  -5.293   1.713  -2.220
  116    HB3  LEU 832           HB1      LEU 832  -4.848   0.518  -3.428
  117    HG   LEU 832           HG       LEU 832  -2.441   1.426  -3.211
  118   HD11  LEU 832          HD11      LEU 832  -1.991   2.430  -0.950
  119   HD12  LEU 832          HD12      LEU 832  -3.733   2.606  -0.739
  120   HD13  LEU 832          HD13      LEU 832  -2.907   3.487  -2.026
  121   HD21  LEU 832          HD21      LEU 832  -3.118  -0.756  -2.305
  122   HD22  LEU 832          HD22      LEU 832  -3.762   0.026  -0.861
  123   HD23  LEU 832          HD23      LEU 832  -2.029   0.050  -1.178
  124    H    MET 833           HN       MET 833  -7.160   2.518  -3.910
  125    HA   MET 833           HA       MET 833  -7.922   0.814  -5.975
  126    HB2  MET 833           HB2      MET 833  -9.492   1.531  -4.249
  127    HB3  MET 833           HB1      MET 833  -9.422   3.189  -4.840
  128    HG2  MET 833           HG2      MET 833 -11.404   1.666  -5.618
  129    HG3  MET 833           HG1      MET 833 -10.597   2.682  -6.810
  130    HE1  MET 833           HE1      MET 833 -10.965  -0.542  -5.090
  131    HE2  MET 833           HE2      MET 833  -9.234  -0.843  -5.189
  132    HE3  MET 833           HE3      MET 833 -10.342  -1.807  -6.156
  133    H    ALA 834           HN       ALA 834  -7.875   4.371  -6.019
  134    HA   ALA 834           HA       ALA 834  -8.572   4.802  -8.656
  135    HB1  ALA 834           HB1      ALA 834  -7.281   6.918  -8.497
  136    HB2  ALA 834           HB2      ALA 834  -6.577   6.347  -6.985
  137    HB3  ALA 834           HB3      ALA 834  -8.312   6.646  -7.093
  138    H    ASN 835           HN       ASN 835  -5.412   4.011  -7.313
  139    HA   ASN 835           HA       ASN 835  -4.154   4.087  -9.937
  140    HB2  ASN 835           HB2      ASN 835  -3.084   4.685  -7.624
  141    HB3  ASN 835           HB1      ASN 835  -2.832   2.945  -7.502
  142   HD21  ASN 835          HD21      ASN 835  -0.684   2.548  -8.099
  143   HD22  ASN 835          HD22      ASN 835   0.079   3.228  -9.452
  144    H    GLY 836           HN       GLY 836  -6.227   1.996  -8.657
  145    HA2  GLY 836           HA2      GLY 836  -6.769  -0.197  -9.106
  146    HA3  GLY 836           HA1      GLY 836  -5.546  -0.160 -10.373
  147    H    PHE 837           HN       PHE 837  -4.465   0.727  -7.265
  148    HA   PHE 837           HA       PHE 837  -2.755  -1.607  -7.124
  149    HB2  PHE 837           HB2      PHE 837  -2.970   0.995  -5.672
  150    HB3  PHE 837           HB1      PHE 837  -2.162  -0.341  -4.860
  151    HZ   PHE 837           HZ       PHE 837   2.002   0.981  -8.755
  152    H    ASP 838           HN       ASP 838  -5.067  -2.743  -7.008
  153    HA   ASP 838           HA       ASP 838  -5.879  -3.004  -4.198
  154    H    ASN 839           HN       ASN 839  -6.559  -5.369  -3.671
  155    HA   ASN 839           HA       ASN 839  -5.817  -7.475  -3.100
  156    HB2  ASN 839           HB2      ASN 839  -5.953  -7.683  -5.678
  157    HB3  ASN 839           HB1      ASN 839  -4.197  -7.535  -5.643
  158   HD21  ASN 839          HD21      ASN 839  -4.455  -9.875  -6.546
  159   HD22  ASN 839          HD22      ASN 839  -4.544 -11.122  -5.402
  160    H    VAL 840           HN       VAL 840  -4.644  -5.857  -1.649
  161    HA   VAL 840           HA       VAL 840  -2.081  -5.032  -1.834
  162    HB   VAL 840           HB       VAL 840  -1.968  -5.185   0.646
  163   HG11  VAL 840          HG11      VAL 840  -4.241  -3.928   0.951
  164   HG12  VAL 840          HG12      VAL 840  -4.382  -4.112  -0.796
  165   HG13  VAL 840          HG13      VAL 840  -3.016  -3.235  -0.110
  166   HG21  VAL 840          HG21      VAL 840  -4.606  -6.656   0.261
  167   HG22  VAL 840          HG22      VAL 840  -4.015  -6.054   1.805
  168   HG23  VAL 840          HG23      VAL 840  -3.137  -7.328   0.966
  169    H    GLN 841           HN       GLN 841  -3.069  -8.312  -0.841
  170    HA   GLN 841           HA       GLN 841  -0.549  -9.292  -0.154
  171    HB2  GLN 841           HB2      GLN 841  -1.460 -11.530  -1.128
  172    HB3  GLN 841           HB1      GLN 841  -2.268 -10.821   0.267
  173    HG2  GLN 841           HG2      GLN 841  -3.214 -10.009  -2.450
  174    HG3  GLN 841           HG1      GLN 841  -3.637 -11.621  -1.881
  175   HE21  GLN 841          HE21      GLN 841  -5.058 -11.792  -0.038
  176   HE22  GLN 841          HE22      GLN 841  -5.907 -10.452   0.555
  177    H    PHE 842           HN       PHE 842  -2.025  -8.893  -3.327
  178    HA   PHE 842           HA       PHE 842   0.129 -10.075  -4.780
  179    HB2  PHE 842           HB2      PHE 842  -2.261  -8.416  -5.472
  180    HB3  PHE 842           HB1      PHE 842  -0.934  -8.480  -6.626
  181    HZ   PHE 842           HZ       PHE 842  -3.072 -13.846  -7.480
  182    H    MET 843           HN       MET 843  -0.775  -6.756  -3.911
  183    HA   MET 843           HA       MET 843   1.265  -5.344  -5.152
  184    HB2  MET 843           HB2      MET 843   0.028  -4.912  -2.421
  185    HB3  MET 843           HB1      MET 843   1.125  -3.773  -3.184
  186    HG2  MET 843           HG2      MET 843  -0.395  -3.498  -5.073
  187    HG3  MET 843           HG1      MET 843  -1.471  -4.737  -4.427
  188    HE1  MET 843           HE1      MET 843   0.445  -1.651  -3.817
  189    HE2  MET 843           HE2      MET 843   0.350  -1.857  -2.072
  190    HE3  MET 843           HE3      MET 843  -0.566  -0.571  -2.847
  191    H    GLY 844           HN       GLY 844   1.322  -6.739  -1.876
  192    HA2  GLY 844           HA2      GLY 844   4.059  -6.263  -1.370
  193    HA3  GLY 844           HA1      GLY 844   3.077  -7.496  -0.573
  194    H    SER 845           HN       SER 845   2.349  -8.921  -2.908
  195    HA   SER 845           HA       SER 845   4.736 -10.497  -3.273
  196    HB2  SER 845           HB2      SER 845   2.226 -11.286  -3.110
  197    HB3  SER 845           HB1      SER 845   2.207 -10.924  -4.829
  198    HG   SER 845           HG       SER 845   3.092 -13.120  -3.678
  199    H    ASN 846           HN       ASN 846   3.828  -7.655  -4.596
  200    HA   ASN 846           HA       ASN 846   4.684  -8.362  -7.321
  201    HB2  ASN 846           HB2      ASN 846   3.222  -6.816  -8.028
  202    HB3  ASN 846           HB1      ASN 846   2.669  -6.651  -6.375
  203   HD21  ASN 846          HD21      ASN 846   3.493  -4.825  -5.130
  204   HD22  ASN 846          HD22      ASN 846   4.233  -3.506  -5.905
  205    H    VAL 847           HN       VAL 847   5.311  -5.855  -4.866
  206    HA   VAL 847           HA       VAL 847   8.147  -6.151  -5.242
  207    HB   VAL 847           HB       VAL 847   8.577  -3.732  -5.668
  208   HG11  VAL 847          HG11      VAL 847   8.522  -5.502  -7.488
  209   HG12  VAL 847          HG12      VAL 847   8.277  -3.844  -8.034
  210   HG13  VAL 847          HG13      VAL 847   6.900  -4.932  -7.879
  211   HG21  VAL 847          HG21      VAL 847   5.919  -3.253  -6.836
  212   HG22  VAL 847          HG22      VAL 847   6.921  -2.193  -5.854
  213   HG23  VAL 847          HG23      VAL 847   5.896  -3.395  -5.078
  214    H    MET 848           HN       MET 848   9.343  -5.214  -3.529
  215    HA   MET 848           HA       MET 848   7.689  -4.201  -1.304
  216    HB2  MET 848           HB2      MET 848  10.104  -6.008  -1.074
  217    HB3  MET 848           HB1      MET 848   9.142  -5.380   0.261
  218    HG2  MET 848           HG2      MET 848   7.142  -6.552  -0.688
  219    HG3  MET 848           HG1      MET 848   8.188  -7.265  -1.914
  220    HE1  MET 848           HE1      MET 848   9.925 -10.088  -0.406
  221    HE2  MET 848           HE2      MET 848  10.308  -8.677  -1.387
  222    HE3  MET 848           HE3      MET 848   8.821  -9.570  -1.689
  223    H    GLU 849           HN       GLU 849   8.153  -2.099  -1.478
  224    HA   GLU 849           HA       GLU 849  10.468  -1.021  -0.417
  225    H    ASP 850           HN       ASP 850  10.725   1.390  -1.314
  226    HA   ASP 850           HA       ASP 850   8.214   2.651  -0.807
  227    H    GLN 851           HN       GLN 851   9.948   1.707  -3.630
  228    HA   GLN 851           HA       GLN 851   9.077   3.415  -5.591
  229    HB2  GLN 851           HB2      GLN 851   9.244   0.406  -5.884
  230    HB3  GLN 851           HB1      GLN 851   9.328   1.596  -7.182
  231    HG2  GLN 851           HG2      GLN 851  11.313   2.606  -5.847
  232    HG3  GLN 851           HG1      GLN 851  11.344   1.059  -5.005
  233   HE21  GLN 851          HE21      GLN 851  11.318   2.361  -8.358
  234   HE22  GLN 851          HE22      GLN 851  12.304   1.132  -8.990
  235    H    ASP 852           HN       ASP 852   7.329   0.509  -4.473
  236    HA   ASP 852           HA       ASP 852   5.056   0.829  -6.099
  237    H    LEU 853           HN       LEU 853   5.624   1.842  -2.765
  238    HA   LEU 853           HA       LEU 853   3.242   3.278  -2.378
  239    HB2  LEU 853           HB2      LEU 853   5.962   3.872  -1.190
  240    HB3  LEU 853           HB1      LEU 853   4.399   4.346  -0.526
  241    HG   LEU 853           HG       LEU 853   4.864   1.433  -1.084
  242   HD11  LEU 853          HD11      LEU 853   6.709   2.832   0.466
  243   HD12  LEU 853          HD12      LEU 853   6.416   1.097   0.500
  244   HD13  LEU 853          HD13      LEU 853   5.590   2.151   1.646
  245   HD21  LEU 853          HD21      LEU 853   3.436   2.947   1.125
  246   HD22  LEU 853          HD22      LEU 853   3.407   1.203   0.871
  247   HD23  LEU 853          HD23      LEU 853   2.668   2.274  -0.316
  248    H    LEU 854           HN       LEU 854   6.273   4.079  -3.903
  249    HA   LEU 854           HA       LEU 854   5.765   6.875  -4.224
  250    HB2  LEU 854           HB2      LEU 854   7.994   5.325  -4.522
  251    HB3  LEU 854           HB1      LEU 854   7.515   5.540  -6.202
  252    HG   LEU 854           HG       LEU 854   7.756   7.848  -4.253
  253   HD11  LEU 854          HD11      LEU 854   9.931   8.310  -5.338
  254   HD12  LEU 854          HD12      LEU 854   9.785   6.812  -6.257
  255   HD13  LEU 854          HD13      LEU 854   9.948   6.757  -4.502
  256   HD21  LEU 854          HD21      LEU 854   6.482   8.614  -6.053
  257   HD22  LEU 854          HD22      LEU 854   7.254   7.520  -7.201
  258   HD23  LEU 854          HD23      LEU 854   8.109   8.954  -6.638
  259    H    GLU 855           HN       GLU 855   5.248   3.969  -6.173
  260    HA   GLU 855           HA       GLU 855   4.425   5.163  -8.553
  261    H    ILE 856           HN       ILE 856   2.430   4.176  -5.786
  262    HA   ILE 856           HA       ILE 856   0.072   5.422  -6.795
  263    HB   ILE 856           HB       ILE 856  -0.133   5.467  -3.982
  264   HG12  ILE 856          HG11      ILE 856   1.259   2.927  -4.918
  265   HG21  ILE 856          HG21      ILE 856  -1.789   4.730  -5.759
  266   HG22  ILE 856          HG22      ILE 856  -1.730   3.720  -4.314
  267   HG23  ILE 856          HG23      ILE 856  -0.936   3.185  -5.795
  268   HD11  ILE 856          HD11      ILE 856   0.528   3.699  -2.095
  269   HD12  ILE 856          HD12      ILE 856   0.950   2.107  -2.728
  270   HD13  ILE 856          HD13      ILE 856  -0.606   2.831  -3.131
  271    H    GLY 857           HN       GLY 857   2.800   6.473  -4.899
  272    HA2  GLY 857           HA2      GLY 857   3.608   8.689  -4.895
  273    HA3  GLY 857           HA1      GLY 857   2.005   9.258  -5.338
  274    H    ILE 858           HN       ILE 858   2.973   7.096  -2.684
  275    HA   ILE 858           HA       ILE 858   1.298   8.352  -0.788
  276    HB   ILE 858           HB       ILE 858   3.792   6.688  -0.314
  277   HG12  ILE 858          HG11      ILE 858   1.835   5.694  -1.694
  278   HG21  ILE 858          HG21      ILE 858   3.276   7.786   1.742
  279   HG22  ILE 858          HG22      ILE 858   2.540   6.190   1.873
  280   HG23  ILE 858          HG23      ILE 858   1.540   7.589   1.498
  281   HD11  ILE 858          HD11      ILE 858   0.537   5.704   1.051
  282   HD12  ILE 858          HD12      ILE 858  -0.125   4.990  -0.418
  283   HD13  ILE 858          HD13      ILE 858   0.044   6.740  -0.287
  284    H    LEU 859           HN       LEU 859   1.722   9.876   0.821
  285    HA   LEU 859           HA       LEU 859   3.969  11.660   0.223
  286    HB2  LEU 859           HB2      LEU 859   1.698  12.213   2.136
  287    HB3  LEU 859           HB1      LEU 859   2.761  13.370   1.339
  288    HG   LEU 859           HG       LEU 859   0.784  11.564  -0.102
  289   HD11  LEU 859          HD11      LEU 859   0.622  14.376   0.926
  290   HD12  LEU 859          HD12      LEU 859  -0.608  13.112   0.917
  291   HD13  LEU 859          HD13      LEU 859  -0.205  13.959  -0.574
  292   HD21  LEU 859          HD21      LEU 859   2.464  12.051  -1.670
  293   HD22  LEU 859          HD22      LEU 859   2.789  13.640  -0.972
  294   HD23  LEU 859          HD23      LEU 859   1.329  13.375  -1.924
  295    H    ASN 860           HN       ASN 860   2.340  10.882   3.277
  296    HA   ASN 860           HA       ASN 860   4.619  11.368   4.849
  297    HB2  ASN 860           HB2      ASN 860   2.401  11.478   5.811
  298    HB3  ASN 860           HB1      ASN 860   2.148   9.760   5.504
  299   HD21  ASN 860          HD21      ASN 860   4.236  12.008   7.363
  300   HD22  ASN 860          HD22      ASN 860   4.613  10.882   8.575
  301    H    SER 861           HN       SER 861   6.382  10.232   5.102
  302    HA   SER 861           HA       SER 861   6.698   7.632   4.010
  303    HB2  SER 861           HB2      SER 861   8.511   9.146   5.887
  304    HB3  SER 861           HB1      SER 861   8.947   7.735   4.934
  305    HG   SER 861           HG       SER 861   9.539   9.444   3.697
  306    H    GLY 862           HN       GLY 862   5.987   8.856   7.215
  307    HA2  GLY 862           HA2      GLY 862   6.570   6.590   8.753
  308    HA3  GLY 862           HA1      GLY 862   5.299   7.756   9.122
  309    H    HIS 863           HN       HIS 863   3.545   7.537   7.157
  310    HA   HIS 863           HA       HIS 863   2.174   5.102   7.658
  311    HB2  HIS 863           HB2      HIS 863   1.792   7.206   5.508
  312    HB3  HIS 863           HB1      HIS 863   0.704   5.846   5.761
  313    H    ARG 864           HN       ARG 864   4.137   6.321   4.985
  314    HA   ARG 864           HA       ARG 864   3.919   4.234   3.177
  315    H    GLN 865           HN       GLN 865   6.312   4.636   5.777
  316    HA   GLN 865           HA       GLN 865   7.613   2.186   5.534
  317    HB2  GLN 865           HB2      GLN 865   7.113   3.982   7.907
  318    HB3  GLN 865           HB1      GLN 865   8.042   2.490   8.051
  319    HG2  GLN 865           HG2      GLN 865   9.777   3.269   6.720
  320    HG3  GLN 865           HG1      GLN 865   8.742   4.397   5.846
  321   HE21  GLN 865          HE21      GLN 865  10.303   6.146   6.331
  322   HE22  GLN 865          HE22      GLN 865  10.347   6.836   7.881
  323    H    ARG 866           HN       ARG 866   4.689   3.031   7.367
  324    HA   ARG 866           HA       ARG 866   4.299   0.496   8.565
  325    H    ILE 867           HN       ILE 867   3.098   1.890   5.529
  326    HA   ILE 867           HA       ILE 867   1.631  -0.390   4.698
  327    HB   ILE 867           HB       ILE 867   2.987   1.667   2.933
  328   HG12  ILE 867          HG11      ILE 867   1.207   2.281   4.931
  329   HG21  ILE 867          HG21      ILE 867   0.569  -0.114   2.507
  330   HG22  ILE 867          HG22      ILE 867   2.136  -0.294   1.723
  331   HG23  ILE 867          HG23      ILE 867   1.132   1.112   1.376
  332   HD11  ILE 867          HD11      ILE 867  -0.496   2.054   2.444
  333   HD12  ILE 867          HD12      ILE 867  -1.012   2.476   4.077
  334   HD13  ILE 867          HD13      ILE 867  -0.507   0.828   3.710
  335    H    LEU 868           HN       LEU 868   4.953   0.688   4.137
  336    HA   LEU 868           HA       LEU 868   5.794  -1.265   2.349
  337    HB2  LEU 868           HB2      LEU 868   7.176   0.670   2.916
  338    HB3  LEU 868           HB1      LEU 868   7.388   0.059   4.555
  339    HG   LEU 868           HG       LEU 868   8.556  -1.923   3.711
  340   HD11  LEU 868          HD11      LEU 868   7.525  -2.374   1.623
  341   HD12  LEU 868          HD12      LEU 868   9.167  -1.886   1.209
  342   HD13  LEU 868          HD13      LEU 868   7.836  -0.744   1.021
  343   HD21  LEU 868          HD21      LEU 868  10.568  -0.825   2.829
  344   HD22  LEU 868          HD22      LEU 868   9.865   0.148   4.120
  345   HD23  LEU 868          HD23      LEU 868   9.631   0.616   2.435
  346    H    GLN 869           HN       GLN 869   6.106  -1.321   5.893
  347    HA   GLN 869           HA       GLN 869   7.099  -3.959   6.015
  348    HB2  GLN 869           HB2      GLN 869   6.396  -3.933   8.398
  349    HB3  GLN 869           HB1      GLN 869   7.297  -2.487   7.952
  350    HG2  GLN 869           HG2      GLN 869   5.234  -1.216   7.738
  351    HG3  GLN 869           HG1      GLN 869   4.270  -2.660   8.025
  352   HE21  GLN 869          HE21      GLN 869   6.515  -0.385   9.596
  353   HE22  GLN 869          HE22      GLN 869   6.057  -0.793  11.178
  354    H    ALA 870           HN       ALA 870   3.827  -2.660   6.013
  355    HA   ALA 870           HA       ALA 870   2.461  -5.028   6.631
  356    HB1  ALA 870           HB1      ALA 870   1.500  -2.824   4.799
  357    HB2  ALA 870           HB2      ALA 870   1.436  -2.758   6.560
  358    HB3  ALA 870           HB3      ALA 870   0.506  -3.979   5.689
  359    H    ILE 871           HN       ILE 871   3.330  -3.672   3.418
  360    HA   ILE 871           HA       ILE 871   2.285  -5.907   2.025
  361    HB   ILE 871           HB       ILE 871   3.474  -5.084   0.076
  362   HG12  ILE 871          HG11      ILE 871   4.684  -2.901   1.759
  363   HG21  ILE 871          HG21      ILE 871   2.379  -2.999  -0.145
  364   HG22  ILE 871          HG22      ILE 871   2.479  -2.678   1.583
  365   HG23  ILE 871          HG23      ILE 871   1.391  -3.930   0.980
  366   HD11  ILE 871          HD11      ILE 871   6.211  -2.792  -0.227
  367   HD12  ILE 871          HD12      ILE 871   4.523  -2.497  -0.637
  368   HD13  ILE 871          HD13      ILE 871   5.251  -4.062  -0.989
  369    H    GLN 872           HN       GLN 872   5.428  -5.163   3.408
  370    HA   GLN 872           HA       GLN 872   6.839  -7.373   2.337
  371    HB2  GLN 872           HB2      GLN 872   7.199  -5.773   4.880
  372    HB3  GLN 872           HB1      GLN 872   8.290  -7.074   4.412
  373    HG2  GLN 872           HG2      GLN 872   8.900  -5.942   2.375
  374    HG3  GLN 872           HG1      GLN 872   7.651  -4.721   2.608
  375   HE21  GLN 872          HE21      GLN 872  10.430  -4.013   2.332
  376   HE22  GLN 872          HE22      GLN 872  10.952  -3.366   3.811
  377    H    LEU 873           HN       LEU 873   4.770  -6.950   5.151
  378    HA   LEU 873           HA       LEU 873   5.205  -9.589   6.200
  379    HB2  LEU 873           HB2      LEU 873   3.584  -7.228   6.892
  380    HB3  LEU 873           HB1      LEU 873   2.845  -8.773   7.305
  381    HG   LEU 873           HG       LEU 873   4.694  -9.420   8.669
  382   HD11  LEU 873          HD11      LEU 873   6.683  -7.725   8.826
  383   HD12  LEU 873          HD12      LEU 873   6.131  -7.189   7.243
  384   HD13  LEU 873          HD13      LEU 873   6.639  -8.861   7.480
  385   HD21  LEU 873          HD21      LEU 873   3.265  -7.822   9.791
  386   HD22  LEU 873          HD22      LEU 873   4.100  -6.472   9.019
  387   HD23  LEU 873          HD23      LEU 873   4.935  -7.454  10.222
  388    H    LEU 874           HN       LEU 874   2.805  -8.079   4.100
  389    HA   LEU 874           HA       LEU 874   0.786  -9.939   4.079
  390    HB2  LEU 874           HB2      LEU 874   1.927  -8.194   1.928
  391    HB3  LEU 874           HB1      LEU 874   0.672  -9.359   1.519
  392    HG   LEU 874           HG       LEU 874   0.401  -7.357   3.779
  393   HD11  LEU 874          HD11      LEU 874  -1.322  -6.466   1.927
  394   HD12  LEU 874          HD12      LEU 874  -0.083  -7.109   0.851
  395   HD13  LEU 874          HD13      LEU 874   0.328  -5.870   2.032
  396   HD21  LEU 874          HD21      LEU 874  -1.469  -9.281   2.370
  397   HD22  LEU 874          HD22      LEU 874  -2.071  -7.917   3.306
  398   HD23  LEU 874          HD23      LEU 874  -1.120  -9.170   4.096
  399    HA   PRO 875           HA       PRO 875   2.530 -13.741   2.566
  400    HB2  PRO 875           HB2      PRO 875   0.244 -14.834   1.482
  401    HB3  PRO 875           HB1      PRO 875   0.627 -14.847   3.214
  402    HG2  PRO 875           HG2      PRO 875  -1.199 -13.051   1.698
  403    HG3  PRO 875           HG1      PRO 875  -1.380 -13.738   3.321
  404    HD2  PRO 875           HD2      PRO 875  -0.634 -11.157   2.918
  405    HD3  PRO 875           HD1      PRO 875  -0.073 -12.101   4.316
  406    H    LYS 876           HN       LYS 876   3.736 -13.919   0.759
  407    HA   LYS 876           HA       LYS 876   2.776 -12.683  -1.728
  Start of MODEL    9
    1    HA   GLN 814           HA       GLN 814 -11.189  -9.846  -0.774
    2    HB2  GLN 814           HB2      GLN 814 -11.420  -7.898   1.526
    3    HB3  GLN 814           HB1      GLN 814 -12.696  -8.543   0.497
    4    HG2  GLN 814           HG2      GLN 814 -12.029 -10.846   1.483
    5    HG3  GLN 814           HG1      GLN 814 -11.236  -9.913   2.752
    6   HE21  GLN 814          HE21      GLN 814 -13.746 -11.644   2.827
    7   HE22  GLN 814          HE22      GLN 814 -14.942 -10.623   3.469
    8    H    THR 815           HN       THR 815 -11.853  -7.015  -0.599
    9    HA   THR 815           HA       THR 815  -9.784  -6.021  -2.350
   10    HB   THR 815           HB       THR 815 -11.533  -3.913  -1.803
   11   HG21  THR 815          HG21      THR 815 -12.428  -4.426  -4.012
   12   HG22  THR 815          HG22      THR 815 -11.806  -6.073  -3.914
   13   HG23  THR 815          HG23      THR 815 -10.689  -4.713  -4.013
   14    H    VAL 816           HN       VAL 816  -8.662  -3.992  -2.010
   15    HA   VAL 816           HA       VAL 816  -7.402  -3.845   0.500
   16    HB   VAL 816           HB       VAL 816  -6.634  -1.535  -0.492
   17   HG11  VAL 816          HG11      VAL 816  -6.025  -4.275  -1.621
   18   HG12  VAL 816          HG12      VAL 816  -5.113  -3.366  -0.416
   19   HG13  VAL 816          HG13      VAL 816  -5.122  -2.839  -2.096
   20   HG21  VAL 816          HG21      VAL 816  -7.490  -2.825  -3.075
   21   HG22  VAL 816          HG22      VAL 816  -7.074  -1.144  -2.757
   22   HG23  VAL 816          HG23      VAL 816  -8.625  -1.783  -2.213
   23    H    GLY 817           HN       GLY 817  -8.508  -3.307   2.287
   24    HA2  GLY 817           HA2      GLY 817  -9.542  -0.641   2.580
   25    HA3  GLY 817           HA1      GLY 817 -10.805  -1.865   2.599
   26    H    GLN 818           HN       GLN 818 -10.707  -3.536   4.223
   27    HA   GLN 818           HA       GLN 818 -10.280  -2.628   6.808
   28    HB2  GLN 818           HB2      GLN 818 -10.268  -5.481   5.793
   29    HB3  GLN 818           HB1      GLN 818 -10.382  -5.017   7.491
   30    HG2  GLN 818           HG2      GLN 818 -12.484  -3.932   7.159
   31    HG3  GLN 818           HG1      GLN 818 -12.325  -3.998   5.408
   32   HE21  GLN 818          HE21      GLN 818 -12.129  -6.402   8.092
   33   HE22  GLN 818          HE22      GLN 818 -13.127  -7.539   7.323
   34    H    TRP 819           HN       TRP 819  -8.093  -4.269   4.628
   35    HA   TRP 819           HA       TRP 819  -6.026  -4.898   6.405
   36    HB2  TRP 819           HB2      TRP 819  -5.997  -5.714   4.118
   37    HB3  TRP 819           HB1      TRP 819  -5.919  -4.070   3.491
   38    HD1  TRP 819           HD1      TRP 819  -3.843  -6.234   5.959
   39    H    LEU 820           HN       LEU 820  -6.575  -1.976   4.469
   40    HA   LEU 820           HA       LEU 820  -4.389  -0.454   5.338
   41    HB2  LEU 820           HB2      LEU 820  -7.155   0.410   4.460
   42    HB3  LEU 820           HB1      LEU 820  -5.798   1.509   4.683
   43    HG   LEU 820           HG       LEU 820  -5.597  -0.911   2.881
   44   HD11  LEU 820          HD11      LEU 820  -6.737   1.815   2.325
   45   HD12  LEU 820          HD12      LEU 820  -7.321   0.235   1.803
   46   HD13  LEU 820          HD13      LEU 820  -5.887   0.936   1.055
   47   HD21  LEU 820          HD21      LEU 820  -3.968   1.042   1.885
   48   HD22  LEU 820          HD22      LEU 820  -3.438  -0.171   3.048
   49   HD23  LEU 820          HD23      LEU 820  -3.923   1.428   3.605
   50    H    GLU 821           HN       GLU 821  -7.703  -0.634   6.607
   51    HA   GLU 821           HA       GLU 821  -7.329   1.162   8.765
   52    H    SER 822           HN       SER 822  -7.028  -2.350   8.509
   53    HA   SER 822           HA       SER 822  -6.448  -2.919  11.179
   54    HB2  SER 822           HB2      SER 822  -5.383  -4.380   8.761
   55    HB3  SER 822           HB1      SER 822  -5.563  -5.017  10.393
   56    HG   SER 822           HG       SER 822  -7.558  -4.251   8.515
   57    H    ILE 823           HN       ILE 823  -4.277  -1.959   8.540
   58    HA   ILE 823           HA       ILE 823  -1.963  -2.180  10.268
   59    HB   ILE 823           HB       ILE 823  -0.690  -1.274   8.391
   60   HG12  ILE 823          HG11      ILE 823  -3.356  -0.988   6.979
   61   HG21  ILE 823          HG21      ILE 823  -1.671  -2.952   6.585
   62   HG22  ILE 823          HG22      ILE 823  -2.687  -3.464   7.926
   63   HG23  ILE 823          HG23      ILE 823  -0.932  -3.562   8.065
   64   HD11  ILE 823          HD11      ILE 823  -1.845   0.304   5.361
   65   HD12  ILE 823          HD12      ILE 823  -1.652  -1.449   5.386
   66   HD13  ILE 823          HD13      ILE 823  -0.486  -0.422   6.219
   67    H    GLY 824           HN       GLY 824  -4.463  -0.170  10.334
   68    HA2  GLY 824           HA2      GLY 824  -4.786   1.761  11.545
   69    HA3  GLY 824           HA1      GLY 824  -3.057   1.810  11.857
   70    H    LEU 825           HN       LEU 825  -4.101   1.549   8.569
   71    HA   LEU 825           HA       LEU 825  -3.479   4.417   8.178
   72    HB2  LEU 825           HB2      LEU 825  -2.897   2.111   6.312
   73    HB3  LEU 825           HB1      LEU 825  -2.595   3.809   5.965
   74    HG   LEU 825           HG       LEU 825  -1.292   2.135   8.134
   75   HD11  LEU 825          HD11      LEU 825  -0.108   1.734   6.173
   76   HD12  LEU 825          HD12      LEU 825   0.743   3.140   6.810
   77   HD13  LEU 825          HD13      LEU 825  -0.440   3.340   5.523
   78   HD21  LEU 825          HD21      LEU 825  -1.331   5.119   7.649
   79   HD22  LEU 825          HD22      LEU 825   0.046   4.342   8.432
   80   HD23  LEU 825          HD23      LEU 825  -1.549   4.250   9.170
   81    HA   PRO 826           HA       PRO 826  -7.743   3.586   6.571
   82    HB2  PRO 826           HB2      PRO 826  -8.945   5.699   7.790
   83    HB3  PRO 826           HB1      PRO 826  -8.742   4.122   8.578
   84    HG2  PRO 826           HG2      PRO 826  -7.169   6.624   8.932
   85    HG3  PRO 826           HG1      PRO 826  -7.662   5.419  10.135
   86    HD2  PRO 826           HD2      PRO 826  -5.130   5.532   9.062
   87    HD3  PRO 826           HD1      PRO 826  -5.865   4.043   9.703
   88    H    GLN 827           HN       GLN 827  -8.782   4.758   4.915
   89    HA   GLN 827           HA       GLN 827  -9.087   6.288   3.250
   90    HB2  GLN 827           HB2      GLN 827  -7.235   8.211   4.652
   91    HB3  GLN 827           HB1      GLN 827  -8.593   8.564   3.587
   92    HG2  GLN 827           HG2      GLN 827  -9.826   7.116   5.567
   93    HG3  GLN 827           HG1      GLN 827  -8.583   7.966   6.480
   94   HE21  GLN 827          HE21      GLN 827 -11.700   8.295   5.209
   95   HE22  GLN 827          HE22      GLN 827 -11.816   9.985   5.287
   96    H    TYR 828           HN       TYR 828  -7.359   4.343   2.715
   97    HA   TYR 828           HA       TYR 828  -5.354   5.727   1.052
   98    HB2  TYR 828           HB2      TYR 828  -4.882   3.467   2.962
   99    HB3  TYR 828           HB1      TYR 828  -3.942   3.549   1.474
  100    HH   TYR 828           HH       TYR 828  -0.402   8.209   3.991
  101    H    GLU 829           HN       GLU 829  -7.988   3.792   1.230
  102    HA   GLU 829           HA       GLU 829  -7.601   1.700  -0.548
  103    H    ASN 830           HN       ASN 830  -8.860   4.931  -1.308
  104    HA   ASN 830           HA       ASN 830  -8.997   4.755  -4.052
  105    HB2  ASN 830           HB2      ASN 830  -8.804   7.181  -4.114
  106    HB3  ASN 830           HB1      ASN 830  -9.803   6.698  -2.747
  107   HD21  ASN 830          HD21      ASN 830  -8.301   9.222  -2.935
  108   HD22  ASN 830          HD22      ASN 830  -7.169   9.214  -1.670
  109    H    HIS 831           HN       HIS 831  -6.221   5.836  -2.138
  110    HA   HIS 831           HA       HIS 831  -4.428   6.388  -4.168
  111    HB2  HIS 831           HB2      HIS 831  -4.007   5.254  -1.401
  112    HB3  HIS 831           HB1      HIS 831  -2.660   5.638  -2.468
  113    H    LEU 832           HN       LEU 832  -4.698   3.301  -2.417
  114    HA   LEU 832           HA       LEU 832  -2.967   1.882  -4.117
  115    HB2  LEU 832           HB2      LEU 832  -4.957   1.186  -2.013
  116    HB3  LEU 832           HB1      LEU 832  -4.437  -0.093  -3.103
  117    HG   LEU 832           HG       LEU 832  -2.049   0.493  -2.582
  118   HD11  LEU 832          HD11      LEU 832  -2.285   2.796  -1.898
  119   HD12  LEU 832          HD12      LEU 832  -1.698   1.884  -0.509
  120   HD13  LEU 832          HD13      LEU 832  -3.396   2.350  -0.602
  121   HD21  LEU 832          HD21      LEU 832  -2.009  -0.819  -0.667
  122   HD22  LEU 832          HD22      LEU 832  -3.634  -1.173  -1.253
  123   HD23  LEU 832          HD23      LEU 832  -3.401  -0.007   0.049
  124    H    MET 833           HN       MET 833  -6.519   1.963  -3.951
  125    HA   MET 833           HA       MET 833  -7.073   0.254  -6.069
  126    HB2  MET 833           HB2      MET 833  -8.715   1.349  -4.421
  127    HB3  MET 833           HB1      MET 833  -8.702   2.735  -5.510
  128    HG2  MET 833           HG2      MET 833 -10.560   1.042  -5.930
  129    HG3  MET 833           HG1      MET 833  -9.567   1.437  -7.329
  130    HE1  MET 833           HE1      MET 833  -9.115  -2.044  -4.499
  131    HE2  MET 833           HE2      MET 833 -10.743  -1.886  -5.147
  132    HE3  MET 833           HE3      MET 833 -10.002  -0.524  -4.315
  133    H    ALA 834           HN       ALA 834  -6.678   3.790  -6.141
  134    HA   ALA 834           HA       ALA 834  -7.019   4.151  -8.895
  135    HB1  ALA 834           HB1      ALA 834  -6.970   6.032  -7.325
  136    HB2  ALA 834           HB2      ALA 834  -5.764   6.256  -8.591
  137    HB3  ALA 834           HB3      ALA 834  -5.268   5.720  -6.986
  138    H    ASN 835           HN       ASN 835  -4.096   3.508  -6.997
  139    HA   ASN 835           HA       ASN 835  -2.388   3.451  -9.309
  140    HB2  ASN 835           HB2      ASN 835  -1.675   3.941  -6.894
  141    HB3  ASN 835           HB1      ASN 835  -1.733   2.197  -6.651
  142   HD21  ASN 835          HD21      ASN 835  -0.422   4.476  -9.127
  143   HD22  ASN 835          HD22      ASN 835   1.040   3.632  -9.330
  144    H    GLY 836           HN       GLY 836  -4.812   1.482  -8.555
  145    HA2  GLY 836           HA2      GLY 836  -5.409  -0.607  -9.297
  146    HA3  GLY 836           HA1      GLY 836  -3.902  -0.654 -10.206
  147    H    PHE 837           HN       PHE 837  -3.515   0.036  -6.896
  148    HA   PHE 837           HA       PHE 837  -2.109  -2.432  -6.464
  149    HB2  PHE 837           HB2      PHE 837  -2.374   0.132  -5.106
  150    HB3  PHE 837           HB1      PHE 837  -2.440  -1.211  -3.970
  151    HZ   PHE 837           HZ       PHE 837   3.218  -1.524  -5.394
  152    H    ASP 838           HN       ASP 838  -4.079  -3.687  -7.047
  153    HA   ASP 838           HA       ASP 838  -5.961  -3.996  -4.804
  154    H    ASN 839           HN       ASN 839  -6.475  -6.159  -4.078
  155    HA   ASN 839           HA       ASN 839  -5.908  -8.204  -3.239
  156    HB2  ASN 839           HB2      ASN 839  -5.823  -8.908  -5.583
  157    HB3  ASN 839           HB1      ASN 839  -4.157  -8.357  -5.706
  158   HD21  ASN 839          HD21      ASN 839  -4.850 -11.086  -6.174
  159   HD22  ASN 839          HD22      ASN 839  -4.177 -12.032  -4.939
  160    H    VAL 840           HN       VAL 840  -4.954  -7.151  -1.444
  161    HA   VAL 840           HA       VAL 840  -2.426  -6.124  -1.201
  162    HB   VAL 840           HB       VAL 840  -2.545  -6.752   1.210
  163   HG11  VAL 840          HG11      VAL 840  -5.047  -5.645  -0.077
  164   HG12  VAL 840          HG12      VAL 840  -3.649  -4.735   0.503
  165   HG13  VAL 840          HG13      VAL 840  -4.703  -5.560   1.650
  166   HG21  VAL 840          HG21      VAL 840  -3.699  -8.621   1.763
  167   HG22  VAL 840          HG22      VAL 840  -4.407  -8.729   0.153
  168   HG23  VAL 840          HG23      VAL 840  -5.177  -7.741   1.388
  169    H    GLN 841           HN       GLN 841  -3.356  -9.536  -1.040
  170    HA   GLN 841           HA       GLN 841  -0.878 -10.627  -0.333
  171    HB2  GLN 841           HB2      GLN 841  -3.089 -11.876  -0.575
  172    HB3  GLN 841           HB1      GLN 841  -2.793 -11.888  -2.312
  173    HG2  GLN 841           HG2      GLN 841  -0.575 -12.988  -1.867
  174    HG3  GLN 841           HG1      GLN 841  -1.027 -13.102  -0.168
  175   HE21  GLN 841          HE21      GLN 841  -1.008 -15.488  -0.337
  176   HE22  GLN 841          HE22      GLN 841  -2.279 -16.298  -1.116
  177    H    PHE 842           HN       PHE 842  -2.242 -10.001  -3.552
  178    HA   PHE 842           HA       PHE 842   0.076 -10.723  -5.008
  179    HB2  PHE 842           HB2      PHE 842  -2.443  -9.286  -5.582
  180    HB3  PHE 842           HB1      PHE 842  -1.080  -8.856  -6.601
  181    HZ   PHE 842           HZ       PHE 842  -2.128 -14.153  -8.812
  182    H    MET 843           HN       MET 843  -1.173  -7.526  -4.056
  183    HA   MET 843           HA       MET 843   0.878  -5.926  -4.967
  184    HB2  MET 843           HB2      MET 843  -0.584  -5.681  -2.326
  185    HB3  MET 843           HB1      MET 843   0.352  -4.400  -3.095
  186    HG2  MET 843           HG2      MET 843  -1.289  -3.944  -4.611
  187    HG3  MET 843           HG1      MET 843  -1.655  -5.647  -4.865
  188    HE1  MET 843           HE1      MET 843  -1.278  -3.769  -1.604
  189    HE2  MET 843           HE2      MET 843  -2.909  -3.440  -1.035
  190    HE3  MET 843           HE3      MET 843  -2.267  -2.531  -2.395
  191    H    GLY 844           HN       GLY 844   0.706  -7.444  -1.752
  192    HA2  GLY 844           HA2      GLY 844   3.305  -6.712  -0.937
  193    HA3  GLY 844           HA1      GLY 844   2.345  -8.013  -0.239
  194    H    SER 845           HN       SER 845   2.204  -9.142  -3.094
  195    HA   SER 845           HA       SER 845   4.724 -10.639  -2.884
  196    HB2  SER 845           HB2      SER 845   2.255 -11.265  -4.507
  197    HB3  SER 845           HB1      SER 845   3.635 -12.319  -4.240
  198    HG   SER 845           HG       SER 845   1.730 -11.342  -2.354
  199    H    ASN 846           HN       ASN 846   3.076  -8.358  -4.912
  200    HA   ASN 846           HA       ASN 846   4.652  -9.021  -7.262
  201    HB2  ASN 846           HB2      ASN 846   2.396  -8.373  -7.664
  202    HB3  ASN 846           HB1      ASN 846   2.583  -6.900  -6.722
  203   HD21  ASN 846          HD21      ASN 846   2.390  -5.277  -8.304
  204   HD22  ASN 846          HD22      ASN 846   3.361  -5.189  -9.692
  205    H    VAL 847           HN       VAL 847   4.237  -6.027  -5.321
  206    HA   VAL 847           HA       VAL 847   7.069  -5.490  -5.605
  207    HB   VAL 847           HB       VAL 847   6.185  -4.661  -7.738
  208   HG11  VAL 847          HG11      VAL 847   4.695  -2.447  -6.445
  209   HG12  VAL 847          HG12      VAL 847   3.913  -4.026  -6.390
  210   HG13  VAL 847          HG13      VAL 847   4.351  -3.311  -7.942
  211   HG21  VAL 847          HG21      VAL 847   7.030  -2.536  -5.742
  212   HG22  VAL 847          HG22      VAL 847   6.960  -2.272  -7.480
  213   HG23  VAL 847          HG23      VAL 847   8.079  -3.461  -6.817
  214    H    MET 848           HN       MET 848   7.834  -4.424  -3.910
  215    HA   MET 848           HA       MET 848   6.077  -2.679  -2.351
  216    HB2  MET 848           HB2      MET 848   7.854  -4.345  -0.689
  217    HB3  MET 848           HB1      MET 848   6.180  -3.866  -0.420
  218    HG2  MET 848           HG2      MET 848   6.186  -6.256  -0.713
  219    HG3  MET 848           HG1      MET 848   5.515  -5.568  -2.189
  220    HE1  MET 848           HE1      MET 848   6.759  -8.639  -2.864
  221    HE2  MET 848           HE2      MET 848   7.002  -7.811  -4.396
  222    HE3  MET 848           HE3      MET 848   5.646  -7.357  -3.371
  223    H    GLU 849           HN       GLU 849   7.183  -0.814  -2.791
  224    HA   GLU 849           HA       GLU 849   9.674  -0.405  -1.487
  225    H    ASP 850           HN       ASP 850  10.712   1.727  -2.696
  226    HA   ASP 850           HA       ASP 850   9.064   3.833  -1.872
  227    H    GLN 851           HN       GLN 851   9.874   2.773  -5.156
  228    HA   GLN 851           HA       GLN 851   8.666   4.717  -6.638
  229    HB2  GLN 851           HB2      GLN 851   8.446   1.801  -7.389
  230    HB3  GLN 851           HB1      GLN 851   8.559   3.199  -8.458
  231    HG2  GLN 851           HG2      GLN 851  10.831   3.675  -7.407
  232    HG3  GLN 851           HG1      GLN 851  10.723   2.087  -6.655
  233   HE21  GLN 851          HE21      GLN 851   9.125   1.425  -9.367
  234   HE22  GLN 851          HE22      GLN 851  10.403   1.037 -10.413
  235    H    ASP 852           HN       ASP 852   7.041   1.834  -5.338
  236    HA   ASP 852           HA       ASP 852   4.484   2.351  -6.385
  237    H    LEU 853           HN       LEU 853   5.772   3.087  -3.168
  238    HA   LEU 853           HA       LEU 853   3.598   4.600  -2.249
  239    HB2  LEU 853           HB2      LEU 853   6.506   5.071  -1.566
  240    HB3  LEU 853           HB1      LEU 853   5.101   5.469  -0.577
  241    HG   LEU 853           HG       LEU 853   5.548   2.617  -1.450
  242   HD11  LEU 853          HD11      LEU 853   7.256   4.172   0.341
  243   HD12  LEU 853          HD12      LEU 853   7.509   2.576  -0.362
  244   HD13  LEU 853          HD13      LEU 853   6.563   2.746   1.115
  245   HD21  LEU 853          HD21      LEU 853   4.543   2.444   1.001
  246   HD22  LEU 853          HD22      LEU 853   3.494   2.781  -0.375
  247   HD23  LEU 853          HD23      LEU 853   4.022   4.097   0.672
  248    H    LEU 854           HN       LEU 854   6.349   5.403  -4.233
  249    HA   LEU 854           HA       LEU 854   6.003   8.219  -4.295
  250    HB2  LEU 854           HB2      LEU 854   7.595   6.217  -5.742
  251    HB3  LEU 854           HB1      LEU 854   7.113   7.586  -6.739
  252    HG   LEU 854           HG       LEU 854   7.960   9.108  -4.912
  253   HD11  LEU 854          HD11      LEU 854   7.843   7.297  -3.141
  254   HD12  LEU 854          HD12      LEU 854   9.342   8.221  -3.168
  255   HD13  LEU 854          HD13      LEU 854   9.293   6.603  -3.865
  256   HD21  LEU 854          HD21      LEU 854  10.009   7.183  -6.060
  257   HD22  LEU 854          HD22      LEU 854  10.317   8.835  -5.522
  258   HD23  LEU 854          HD23      LEU 854   9.306   8.543  -6.937
  259    H    GLU 855           HN       GLU 855   4.915   5.599  -6.437
  260    HA   GLU 855           HA       GLU 855   3.610   7.042  -8.390
  261    H    ILE 856           HN       ILE 856   2.298   6.008  -5.252
  262    HA   ILE 856           HA       ILE 856  -0.077   7.656  -5.683
  263    HB   ILE 856           HB       ILE 856  -0.328   6.847  -3.091
  264   HG12  ILE 856          HG11      ILE 856   1.920   5.465  -3.660
  265   HG21  ILE 856          HG21      ILE 856  -1.112   5.600  -5.707
  266   HG22  ILE 856          HG22      ILE 856  -2.103   6.523  -4.580
  267   HG23  ILE 856          HG23      ILE 856  -1.616   4.873  -4.184
  268   HD11  ILE 856          HD11      ILE 856   0.754   4.380  -5.659
  269   HD12  ILE 856          HD12      ILE 856  -0.292   3.560  -4.500
  270   HD13  ILE 856          HD13      ILE 856   1.443   3.246  -4.499
  271    H    GLY 857           HN       GLY 857   2.945   8.373  -4.905
  272    HA2  GLY 857           HA2      GLY 857   3.990  10.113  -3.830
  273    HA3  GLY 857           HA1      GLY 857   2.471  10.971  -4.057
  274    H    ILE 858           HN       ILE 858   3.159   8.094  -2.101
  275    HA   ILE 858           HA       ILE 858   1.638   9.021   0.104
  276    HB   ILE 858           HB       ILE 858   3.827   6.935   0.156
  277   HG12  ILE 858          HG11      ILE 858   2.049   6.629  -1.669
  278   HG21  ILE 858          HG21      ILE 858   1.372   7.426   1.873
  279   HG22  ILE 858          HG22      ILE 858   3.056   7.546   2.381
  280   HG23  ILE 858          HG23      ILE 858   2.369   5.976   1.969
  281   HD11  ILE 858          HD11      ILE 858   0.277   6.174   0.756
  282   HD12  ILE 858          HD12      ILE 858  -0.185   5.938  -0.928
  283   HD13  ILE 858          HD13      ILE 858   0.158   7.559  -0.329
  284    H    LEU 859           HN       LEU 859   2.401  11.140   0.510
  285    HA   LEU 859           HA       LEU 859   5.025  11.918   1.027
  286    HB2  LEU 859           HB2      LEU 859   2.661  13.063   2.511
  287    HB3  LEU 859           HB1      LEU 859   4.151  13.872   2.035
  288    HG   LEU 859           HG       LEU 859   3.193  12.951  -0.391
  289   HD11  LEU 859          HD11      LEU 859   1.027  12.596   1.224
  290   HD12  LEU 859          HD12      LEU 859   0.924  12.972  -0.494
  291   HD13  LEU 859          HD13      LEU 859   0.774  14.261   0.697
  292   HD21  LEU 859          HD21      LEU 859   2.624  15.629   0.921
  293   HD22  LEU 859          HD22      LEU 859   2.655  15.307  -0.811
  294   HD23  LEU 859          HD23      LEU 859   4.139  15.188   0.132
  295    H    ASN 860           HN       ASN 860   2.627  10.543   3.212
  296    HA   ASN 860           HA       ASN 860   4.134  10.917   5.577
  297    HB2  ASN 860           HB2      ASN 860   2.503   8.679   6.042
  298    HB3  ASN 860           HB1      ASN 860   2.156  10.349   6.446
  299   HD21  ASN 860          HD21      ASN 860   0.719  11.553   5.030
  300   HD22  ASN 860          HD22      ASN 860  -0.207  10.775   3.840
  301    H    SER 861           HN       SER 861   6.234  10.262   5.097
  302    HA   SER 861           HA       SER 861   7.155   7.882   4.092
  303    HB2  SER 861           HB2      SER 861   8.548   8.927   6.506
  304    HB3  SER 861           HB1      SER 861   9.197   8.476   4.935
  305    HG   SER 861           HG       SER 861   9.251  10.697   5.055
  306    H    GLY 862           HN       GLY 862   6.081   8.542   7.401
  307    HA2  GLY 862           HA2      GLY 862   6.734   6.078   8.561
  308    HA3  GLY 862           HA1      GLY 862   5.407   7.116   9.077
  309    H    HIS 863           HN       HIS 863   3.693   7.137   7.026
  310    HA   HIS 863           HA       HIS 863   2.350   4.678   7.178
  311    HB2  HIS 863           HB2      HIS 863   2.096   6.958   5.208
  312    HB3  HIS 863           HB1      HIS 863   1.048   5.545   5.179
  313    H    ARG 864           HN       ARG 864   4.561   6.003   4.754
  314    HA   ARG 864           HA       ARG 864   4.354   4.040   2.785
  315    H    GLN 865           HN       GLN 865   6.632   4.132   5.514
  316    HA   GLN 865           HA       GLN 865   7.663   1.536   5.150
  317    HB2  GLN 865           HB2      GLN 865   7.398   3.063   7.754
  318    HB3  GLN 865           HB1      GLN 865   8.513   1.740   7.417
  319    HG2  GLN 865           HG2      GLN 865   8.829   3.745   5.375
  320    HG3  GLN 865           HG1      GLN 865   8.920   4.523   6.951
  321   HE21  GLN 865          HE21      GLN 865  10.193   1.556   5.331
  322   HE22  GLN 865          HE22      GLN 865  11.722   1.653   6.063
  323    H    ARG 866           HN       ARG 866   4.945   2.769   7.044
  324    HA   ARG 866           HA       ARG 866   4.243   0.388   8.346
  325    H    ILE 867           HN       ILE 867   3.090   1.733   5.253
  326    HA   ILE 867           HA       ILE 867   1.439  -0.434   4.536
  327    HB   ILE 867           HB       ILE 867   2.988   1.472   2.751
  328   HG12  ILE 867          HG11      ILE 867   1.182   2.276   4.527
  329   HG21  ILE 867          HG21      ILE 867   1.150   0.880   1.106
  330   HG22  ILE 867          HG22      ILE 867   0.703  -0.437   2.187
  331   HG23  ILE 867          HG23      ILE 867   2.297  -0.418   1.432
  332   HD11  ILE 867          HD11      ILE 867  -1.085   2.154   3.803
  333   HD12  ILE 867          HD12      ILE 867  -0.462   0.513   3.630
  334   HD13  ILE 867          HD13      ILE 867  -0.624   1.550   2.214
  335    H    LEU 868           HN       LEU 868   4.857   0.267   3.882
  336    HA   LEU 868           HA       LEU 868   5.432  -1.950   2.280
  337    HB2  LEU 868           HB2      LEU 868   7.144  -0.349   4.176
  338    HB3  LEU 868           HB1      LEU 868   7.799  -1.664   3.207
  339    HG   LEU 868           HG       LEU 868   6.191   0.544   1.920
  340   HD11  LEU 868          HD11      LEU 868   9.002   0.618   2.928
  341   HD12  LEU 868          HD12      LEU 868   7.829   1.924   2.768
  342   HD13  LEU 868          HD13      LEU 868   8.683   1.328   1.346
  343   HD21  LEU 868          HD21      LEU 868   7.676  -0.118  -0.019
  344   HD22  LEU 868          HD22      LEU 868   6.598  -1.399   0.528
  345   HD23  LEU 868          HD23      LEU 868   8.304  -1.428   0.980
  346    H    GLN 869           HN       GLN 869   5.925  -1.610   5.797
  347    HA   GLN 869           HA       GLN 869   6.691  -4.291   6.205
  348    HB2  GLN 869           HB2      GLN 869   6.259  -3.914   8.582
  349    HB3  GLN 869           HB1      GLN 869   7.086  -2.517   7.893
  350    HG2  GLN 869           HG2      GLN 869   5.031  -1.272   7.775
  351    HG3  GLN 869           HG1      GLN 869   4.074  -2.682   8.210
  352   HE21  GLN 869          HE21      GLN 869   7.136  -2.015   9.829
  353   HE22  GLN 869          HE22      GLN 869   6.446  -1.587  11.317
  354    H    ALA 870           HN       ALA 870   3.534  -2.714   6.314
  355    HA   ALA 870           HA       ALA 870   2.043  -4.921   7.208
  356    HB1  ALA 870           HB1      ALA 870   1.260  -2.641   5.378
  357    HB2  ALA 870           HB2      ALA 870   1.038  -2.719   7.126
  358    HB3  ALA 870           HB3      ALA 870   0.125  -3.798   6.070
  359    H    ILE 871           HN       ILE 871   2.832  -3.815   3.930
  360    HA   ILE 871           HA       ILE 871   1.573  -5.964   2.599
  361    HB   ILE 871           HB       ILE 871   3.068  -3.652   1.854
  362   HG12  ILE 871          HG11      ILE 871   1.594  -5.759   0.236
  363   HG21  ILE 871          HG21      ILE 871   4.359  -4.691  -0.083
  364   HG22  ILE 871          HG22      ILE 871   4.227  -6.228   0.764
  365   HG23  ILE 871          HG23      ILE 871   5.078  -4.876   1.514
  366   HD11  ILE 871          HD11      ILE 871   1.356  -3.490  -1.211
  367   HD12  ILE 871          HD12      ILE 871   2.637  -4.668  -1.495
  368   HD13  ILE 871          HD13      ILE 871   2.962  -3.229  -0.531
  369    H    GLN 872           HN       GLN 872   4.910  -5.454   3.680
  370    HA   GLN 872           HA       GLN 872   5.967  -7.904   2.782
  371    HB2  GLN 872           HB2      GLN 872   6.768  -6.253   5.193
  372    HB3  GLN 872           HB1      GLN 872   7.730  -7.543   4.475
  373    HG2  GLN 872           HG2      GLN 872   6.887  -5.638   2.444
  374    HG3  GLN 872           HG1      GLN 872   7.761  -4.830   3.745
  375   HE21  GLN 872          HE21      GLN 872   9.862  -4.593   2.929
  376   HE22  GLN 872          HE22      GLN 872  10.777  -5.861   2.273
  377    H    LEU 873           HN       LEU 873   3.850  -7.138   5.388
  378    HA   LEU 873           HA       LEU 873   4.367  -9.612   6.824
  379    HB2  LEU 873           HB2      LEU 873   3.070  -7.089   7.407
  380    HB3  LEU 873           HB1      LEU 873   2.011  -8.434   7.816
  381    HG   LEU 873           HG       LEU 873   3.518  -7.760   9.699
  382   HD11  LEU 873          HD11      LEU 873   4.072  -9.993  10.349
  383   HD12  LEU 873          HD12      LEU 873   4.198 -10.526   8.674
  384   HD13  LEU 873          HD13      LEU 873   2.625 -10.114   9.352
  385   HD21  LEU 873          HD21      LEU 873   5.814  -9.039   8.240
  386   HD22  LEU 873          HD22      LEU 873   5.840  -7.868   9.558
  387   HD23  LEU 873          HD23      LEU 873   5.450  -7.342   7.923
  388    H    LEU 874           HN       LEU 874   2.657  -8.830   4.086
  389    HA   LEU 874           HA       LEU 874   0.304 -10.401   4.579
  390    HB2  LEU 874           HB2      LEU 874   1.439  -9.375   1.965
  391    HB3  LEU 874           HB1      LEU 874  -0.138 -10.131   2.162
  392    HG   LEU 874           HG       LEU 874   0.739  -7.667   3.688
  393   HD11  LEU 874          HD11      LEU 874  -0.640  -6.402   2.108
  394   HD12  LEU 874          HD12      LEU 874  -0.992  -7.887   1.223
  395   HD13  LEU 874          HD13      LEU 874   0.647  -7.249   1.247
  396   HD21  LEU 874          HD21      LEU 874  -1.851  -9.191   3.357
  397   HD22  LEU 874          HD22      LEU 874  -1.843  -7.501   3.851
  398   HD23  LEU 874          HD23      LEU 874  -1.046  -8.713   4.852
  399    HA   PRO 875           HA       PRO 875   2.816 -13.516   1.593
  400    HB2  PRO 875           HB2      PRO 875   5.414 -12.987   2.973
  401    HB3  PRO 875           HB1      PRO 875   5.102 -13.450   1.290
  402    HG2  PRO 875           HG2      PRO 875   5.736 -10.951   1.947
  403    HG3  PRO 875           HG1      PRO 875   4.585 -11.308   0.646
  404    HD2  PRO 875           HD2      PRO 875   4.058 -10.210   3.356
  405    HD3  PRO 875           HD1      PRO 875   3.137 -10.016   1.851
  406    H    LYS 876           HN       LYS 876   1.592 -14.957   2.825
  407    HA   LYS 876           HA       LYS 876   2.994 -16.284   5.023
  Start of MODEL   10
    1    HA   GLN 814           HA       GLN 814 -10.055  -8.914   1.409
    2    HB2  GLN 814           HB2      GLN 814 -10.815  -7.887   3.730
    3    HB3  GLN 814           HB1      GLN 814 -10.762  -6.363   2.848
    4    HG2  GLN 814           HG2      GLN 814 -12.150  -7.749   1.046
    5    HG3  GLN 814           HG1      GLN 814 -12.563  -8.724   2.454
    6   HE21  GLN 814          HE21      GLN 814 -14.238  -6.749   0.834
    7   HE22  GLN 814          HE22      GLN 814 -14.858  -5.681   1.998
    8    H    THR 815           HN       THR 815 -11.149  -6.095   0.948
    9    HA   THR 815           HA       THR 815  -9.578  -5.523  -1.381
   10    HB   THR 815           HB       THR 815 -11.375  -3.443  -1.069
   11   HG21  THR 815          HG21      THR 815 -11.446  -6.132  -2.406
   12   HG22  THR 815          HG22      THR 815 -11.342  -4.528  -3.130
   13   HG23  THR 815          HG23      THR 815 -12.870  -5.097  -2.462
   14    H    VAL 816           HN       VAL 816  -8.857  -3.248  -1.829
   15    HA   VAL 816           HA       VAL 816  -6.993  -2.434   0.111
   16    HB   VAL 816           HB       VAL 816  -6.765  -0.395  -1.375
   17   HG11  VAL 816          HG11      VAL 816  -6.028  -1.868  -3.381
   18   HG12  VAL 816          HG12      VAL 816  -6.553  -3.230  -2.394
   19   HG13  VAL 816          HG13      VAL 816  -5.267  -2.169  -1.822
   20   HG21  VAL 816          HG21      VAL 816  -8.279  -1.658  -3.543
   21   HG22  VAL 816          HG22      VAL 816  -8.267   0.024  -3.019
   22   HG23  VAL 816          HG23      VAL 816  -9.320  -1.136  -2.216
   23    H    GLY 817           HN       GLY 817  -8.208  -2.190   1.980
   24    HA2  GLY 817           HA2      GLY 817  -8.933   0.423   2.707
   25    HA3  GLY 817           HA1      GLY 817 -10.403  -0.486   2.363
   26    H    GLN 818           HN       GLN 818 -10.413  -2.749   3.351
   27    HA   GLN 818           HA       GLN 818 -10.400  -2.630   6.136
   28    HB2  GLN 818           HB2      GLN 818 -11.593  -4.436   5.237
   29    HB3  GLN 818           HB1      GLN 818 -10.282  -4.899   4.161
   30    HG2  GLN 818           HG2      GLN 818  -9.806  -5.024   7.123
   31    HG3  GLN 818           HG1      GLN 818 -10.781  -6.283   6.372
   32   HE21  GLN 818          HE21      GLN 818  -7.734  -5.947   7.376
   33   HE22  GLN 818          HE22      GLN 818  -6.904  -6.779   6.150
   34    H    TRP 819           HN       TRP 819  -7.961  -3.827   3.891
   35    HA   TRP 819           HA       TRP 819  -6.026  -4.652   5.739
   36    HB2  TRP 819           HB2      TRP 819  -5.916  -5.127   3.315
   37    HB3  TRP 819           HB1      TRP 819  -5.607  -3.420   3.002
   38    HD1  TRP 819           HD1      TRP 819  -4.069  -6.253   5.155
   39    H    LEU 820           HN       LEU 820  -6.362  -1.549   4.042
   40    HA   LEU 820           HA       LEU 820  -4.302  -0.151   5.287
   41    HB2  LEU 820           HB2      LEU 820  -6.972   0.854   4.274
   42    HB3  LEU 820           HB1      LEU 820  -5.609   1.883   4.704
   43    HG   LEU 820           HG       LEU 820  -5.333  -0.361   2.692
   44   HD11  LEU 820          HD11      LEU 820  -5.566   1.375   0.944
   45   HD12  LEU 820          HD12      LEU 820  -6.031   2.539   2.184
   46   HD13  LEU 820          HD13      LEU 820  -7.058   1.147   1.853
   47   HD21  LEU 820          HD21      LEU 820  -3.466   1.274   1.948
   48   HD22  LEU 820          HD22      LEU 820  -3.207   0.374   3.442
   49   HD23  LEU 820          HD23      LEU 820  -3.720   2.061   3.507
   50    H    GLU 821           HN       GLU 821  -7.707  -0.514   6.240
   51    HA   GLU 821           HA       GLU 821  -7.572   1.043   8.596
   52    H    SER 822           HN       SER 822  -7.200  -2.427   8.039
   53    HA   SER 822           HA       SER 822  -6.724  -3.258  10.635
   54    HB2  SER 822           HB2      SER 822  -5.310  -4.391   8.216
   55    HB3  SER 822           HB1      SER 822  -5.729  -5.217   9.711
   56    HG   SER 822           HG       SER 822  -7.598  -4.051   7.880
   57    H    ILE 823           HN       ILE 823  -4.383  -2.027   8.248
   58    HA   ILE 823           HA       ILE 823  -2.233  -2.152  10.201
   59    HB   ILE 823           HB       ILE 823  -0.793  -1.342   8.450
   60   HG12  ILE 823          HG11      ILE 823  -3.342  -0.863   6.873
   61   HG21  ILE 823          HG21      ILE 823  -2.835  -3.237   7.243
   62   HG22  ILE 823          HG22      ILE 823  -1.543  -3.724   8.339
   63   HG23  ILE 823          HG23      ILE 823  -1.154  -3.061   6.753
   64   HD11  ILE 823          HD11      ILE 823  -1.807  -1.446   5.232
   65   HD12  ILE 823          HD12      ILE 823  -0.428  -0.875   6.167
   66   HD13  ILE 823          HD13      ILE 823  -1.487   0.282   5.364
   67    H    GLY 824           HN       GLY 824  -4.776  -0.237  10.062
   68    HA2  GLY 824           HA2      GLY 824  -5.269   1.803  10.979
   69    HA3  GLY 824           HA1      GLY 824  -3.652   1.792  11.669
   70    H    LEU 825           HN       LEU 825  -4.474   1.687   8.221
   71    HA   LEU 825           HA       LEU 825  -3.464   4.449   7.932
   72    HB2  LEU 825           HB2      LEU 825  -2.659   2.042   6.290
   73    HB3  LEU 825           HB1      LEU 825  -2.369   3.702   5.788
   74    HG   LEU 825           HG       LEU 825  -1.351   2.460   8.365
   75   HD11  LEU 825          HD11      LEU 825   0.011   1.518   6.728
   76   HD12  LEU 825          HD12      LEU 825   0.879   3.016   7.068
   77   HD13  LEU 825          HD13      LEU 825  -0.157   2.900   5.648
   78   HD21  LEU 825          HD21      LEU 825   0.082   4.626   8.266
   79   HD22  LEU 825          HD22      LEU 825  -1.596   4.788   8.777
   80   HD23  LEU 825          HD23      LEU 825  -1.130   5.216   7.130
   81    HA   PRO 826           HA       PRO 826  -7.380   3.293   5.432
   82    HB2  PRO 826           HB2      PRO 826  -9.265   4.487   6.979
   83    HB3  PRO 826           HB1      PRO 826  -8.798   2.789   7.168
   84    HG2  PRO 826           HG2      PRO 826  -7.972   5.156   8.775
   85    HG3  PRO 826           HG1      PRO 826  -8.376   3.513   9.307
   86    HD2  PRO 826           HD2      PRO 826  -5.804   4.379   9.067
   87    HD3  PRO 826           HD1      PRO 826  -6.277   2.681   8.814
   88    H    GLN 827           HN       GLN 827  -7.475   4.700   3.812
   89    HA   GLN 827           HA       GLN 827  -8.500   7.118   3.513
   90    HB2  GLN 827           HB2      GLN 827  -6.679   8.808   3.740
   91    HB3  GLN 827           HB1      GLN 827  -7.169   8.154   5.294
   92    HG2  GLN 827           HG2      GLN 827  -5.196   6.389   4.639
   93    HG3  GLN 827           HG1      GLN 827  -4.610   7.825   3.808
   94   HE21  GLN 827          HE21      GLN 827  -5.793   6.756   7.016
   95   HE22  GLN 827          HE22      GLN 827  -4.840   7.853   7.895
   96    H    TYR 828           HN       TYR 828  -6.109   4.865   2.754
   97    HA   TYR 828           HA       TYR 828  -5.419   6.167   0.209
   98    HB2  TYR 828           HB2      TYR 828  -4.177   3.789   1.607
   99    HB3  TYR 828           HB1      TYR 828  -3.619   4.476   0.086
  100    HH   TYR 828           HH       TYR 828  -1.534   9.335   3.952
  101    H    GLU 829           HN       GLU 829  -7.650   4.055   1.379
  102    HA   GLU 829           HA       GLU 829  -7.788   1.815  -0.124
  103    H    ASN 830           HN       ASN 830  -9.710   4.574  -1.266
  104    HA   ASN 830           HA       ASN 830  -9.851   3.728  -3.933
  105    HB2  ASN 830           HB2      ASN 830 -11.387   5.408  -3.225
  106    HB3  ASN 830           HB1      ASN 830 -10.086   6.479  -2.710
  107   HD21  ASN 830          HD21      ASN 830 -10.158   8.222  -4.148
  108   HD22  ASN 830          HD22      ASN 830 -10.202   8.073  -5.840
  109    H    HIS 831           HN       HIS 831  -7.508   5.734  -2.268
  110    HA   HIS 831           HA       HIS 831  -6.013   6.752  -4.357
  111    HB2  HIS 831           HB2      HIS 831  -5.747   6.815  -1.686
  112    HB3  HIS 831           HB1      HIS 831  -4.503   5.624  -2.053
  113    H    LEU 832           HN       LEU 832  -5.558   3.617  -2.714
  114    HA   LEU 832           HA       LEU 832  -3.503   2.659  -4.370
  115    HB2  LEU 832           HB2      LEU 832  -5.354   1.552  -2.371
  116    HB3  LEU 832           HB1      LEU 832  -4.888   0.402  -3.614
  117    HG   LEU 832           HG       LEU 832  -2.458   1.220  -3.179
  118   HD11  LEU 832          HD11      LEU 832  -3.116   3.185  -1.823
  119   HD12  LEU 832          HD12      LEU 832  -2.075   2.090  -0.915
  120   HD13  LEU 832          HD13      LEU 832  -3.814   2.107  -0.614
  121   HD21  LEU 832          HD21      LEU 832  -3.370  -1.009  -2.528
  122   HD22  LEU 832          HD22      LEU 832  -3.916  -0.315  -1.000
  123   HD23  LEU 832          HD23      LEU 832  -2.192  -0.402  -1.365
  124    H    MET 833           HN       MET 833  -7.011   2.111  -4.473
  125    HA   MET 833           HA       MET 833  -7.156   0.566  -6.789
  126    HB2  MET 833           HB2      MET 833  -9.017   2.480  -5.442
  127    HB3  MET 833           HB1      MET 833  -9.422   1.910  -7.059
  128    HG2  MET 833           HG2      MET 833  -9.807  -0.225  -6.362
  129    HG3  MET 833           HG1      MET 833  -8.533  -0.176  -5.146
  130    HE1  MET 833           HE1      MET 833 -11.497   1.595  -6.330
  131    HE2  MET 833           HE2      MET 833 -11.454   2.808  -5.056
  132    HE3  MET 833           HE3      MET 833 -12.705   1.571  -5.038
  133    H    ALA 834           HN       ALA 834  -7.447   4.083  -6.490
  134    HA   ALA 834           HA       ALA 834  -7.656   4.777  -9.146
  135    HB1  ALA 834           HB1      ALA 834  -5.914   6.372  -7.285
  136    HB2  ALA 834           HB2      ALA 834  -7.657   6.279  -7.033
  137    HB3  ALA 834           HB3      ALA 834  -7.017   6.946  -8.535
  138    H    ASN 835           HN       ASN 835  -4.663   4.397  -7.267
  139    HA   ASN 835           HA       ASN 835  -2.954   4.789  -9.526
  140    HB2  ASN 835           HB2      ASN 835  -2.417   4.996  -6.981
  141    HB3  ASN 835           HB1      ASN 835  -2.074   3.270  -7.096
  142   HD21  ASN 835          HD21      ASN 835  -0.184   2.615  -8.296
  143   HD22  ASN 835          HD22      ASN 835   0.932   3.740  -8.911
  144    H    GLY 836           HN       GLY 836  -4.998   2.303  -8.819
  145    HA2  GLY 836           HA2      GLY 836  -5.306   0.289  -9.915
  146    HA3  GLY 836           HA1      GLY 836  -3.802   0.567 -10.791
  147    H    PHE 837           HN       PHE 837  -3.922   0.786  -7.330
  148    HA   PHE 837           HA       PHE 837  -2.127  -1.537  -7.133
  149    HB2  PHE 837           HB2      PHE 837  -2.638   0.900  -5.465
  150    HB3  PHE 837           HB1      PHE 837  -1.970  -0.534  -4.699
  151    HZ   PHE 837           HZ       PHE 837   2.822   1.290  -7.529
  152    H    ASP 838           HN       ASP 838  -3.818  -3.099  -7.373
  153    HA   ASP 838           HA       ASP 838  -5.731  -3.253  -5.141
  154    H    ASN 839           HN       ASN 839  -6.204  -5.501  -4.398
  155    HA   ASN 839           HA       ASN 839  -5.507  -7.301  -3.170
  156    HB2  ASN 839           HB2      ASN 839  -5.362  -8.187  -5.497
  157    HB3  ASN 839           HB1      ASN 839  -3.652  -7.771  -5.504
  158   HD21  ASN 839          HD21      ASN 839  -4.721 -10.506  -5.681
  159   HD22  ASN 839          HD22      ASN 839  -4.144 -11.335  -4.314
  160    H    VAL 840           HN       VAL 840  -4.591  -5.959  -1.559
  161    HA   VAL 840           HA       VAL 840  -1.991  -5.005  -1.440
  162    HB   VAL 840           HB       VAL 840  -2.271  -5.161   1.047
  163   HG11  VAL 840          HG11      VAL 840  -4.466  -4.030  -0.701
  164   HG12  VAL 840          HG12      VAL 840  -3.103  -3.182   0.026
  165   HG13  VAL 840          HG13      VAL 840  -4.427  -3.756   1.040
  166   HG21  VAL 840          HG21      VAL 840  -4.816  -6.602   0.203
  167   HG22  VAL 840          HG22      VAL 840  -4.580  -5.905   1.801
  168   HG23  VAL 840          HG23      VAL 840  -3.540  -7.215   1.256
  169    H    GLN 841           HN       GLN 841  -3.246  -8.217  -0.613
  170    HA   GLN 841           HA       GLN 841  -0.860  -9.295   0.420
  171    HB2  GLN 841           HB2      GLN 841  -3.330 -10.261   0.283
  172    HB3  GLN 841           HB1      GLN 841  -2.699 -11.033  -1.171
  173    HG2  GLN 841           HG2      GLN 841  -0.672 -11.452   0.671
  174    HG3  GLN 841           HG1      GLN 841  -2.128 -11.608   1.651
  175   HE21  GLN 841          HE21      GLN 841  -0.062 -13.534   0.115
  176   HE22  GLN 841          HE22      GLN 841  -1.112 -14.727  -0.486
  177    H    PHE 842           HN       PHE 842  -2.205  -9.312  -2.869
  178    HA   PHE 842           HA       PHE 842  -0.022 -10.644  -4.075
  179    HB2  PHE 842           HB2      PHE 842  -2.144 -10.357  -5.271
  180    HB3  PHE 842           HB1      PHE 842  -1.910  -8.607  -5.280
  181    HZ   PHE 842           HZ       PHE 842   1.554  -9.972  -9.775
  182    H    MET 843           HN       MET 843  -0.787  -7.201  -3.629
  183    HA   MET 843           HA       MET 843   1.396  -6.016  -4.839
  184    HB2  MET 843           HB2      MET 843  -0.266  -5.341  -2.457
  185    HB3  MET 843           HB1      MET 843   1.242  -4.457  -2.660
  186    HG2  MET 843           HG2      MET 843   0.574  -3.719  -4.877
  187    HG3  MET 843           HG1      MET 843  -0.860  -4.746  -4.826
  188    HE1  MET 843           HE1      MET 843   0.580  -2.459  -1.758
  189    HE2  MET 843           HE2      MET 843   0.034  -0.939  -2.452
  190    HE3  MET 843           HE3      MET 843   1.135  -1.961  -3.364
  191    H    GLY 844           HN       GLY 844   1.214  -7.100  -1.453
  192    HA2  GLY 844           HA2      GLY 844   3.921  -6.728  -0.797
  193    HA3  GLY 844           HA1      GLY 844   2.831  -7.865  -0.003
  194    H    SER 845           HN       SER 845   2.241  -9.372  -2.360
  195    HA   SER 845           HA       SER 845   4.687 -10.978  -2.483
  196    HB2  SER 845           HB2      SER 845   2.063 -11.701  -3.743
  197    HB3  SER 845           HB1      SER 845   3.338 -12.752  -3.148
  198    HG   SER 845           HG       SER 845   1.572 -11.095  -1.617
  199    H    ASN 846           HN       ASN 846   3.891  -8.380  -4.036
  200    HA   ASN 846           HA       ASN 846   4.704  -9.412  -6.686
  201    HB2  ASN 846           HB2      ASN 846   2.390  -8.884  -6.878
  202    HB3  ASN 846           HB1      ASN 846   2.607  -7.347  -6.048
  203   HD21  ASN 846          HD21      ASN 846   4.032  -9.024  -8.911
  204   HD22  ASN 846          HD22      ASN 846   4.041  -7.638  -9.888
  205    H    VAL 847           HN       VAL 847   4.436  -6.435  -4.749
  206    HA   VAL 847           HA       VAL 847   7.162  -5.747  -5.480
  207    HB   VAL 847           HB       VAL 847   5.972  -4.809  -7.364
  208   HG11  VAL 847          HG11      VAL 847   4.109  -3.296  -7.141
  209   HG12  VAL 847          HG12      VAL 847   4.267  -3.272  -5.385
  210   HG13  VAL 847          HG13      VAL 847   3.733  -4.740  -6.202
  211   HG21  VAL 847          HG21      VAL 847   6.378  -2.439  -5.547
  212   HG22  VAL 847          HG22      VAL 847   6.833  -2.626  -7.240
  213   HG23  VAL 847          HG23      VAL 847   7.752  -3.451  -5.985
  214    H    MET 848           HN       MET 848   8.146  -4.786  -3.846
  215    HA   MET 848           HA       MET 848   6.589  -3.254  -1.898
  216    HB2  MET 848           HB2      MET 848   8.710  -5.087  -0.846
  217    HB3  MET 848           HB1      MET 848   7.271  -4.462  -0.043
  218    HG2  MET 848           HG2      MET 848   5.839  -5.964  -1.315
  219    HG3  MET 848           HG1      MET 848   7.204  -6.515  -2.282
  220    HE1  MET 848           HE1      MET 848   9.219  -7.342  -1.469
  221    HE2  MET 848           HE2      MET 848   9.346  -8.614  -0.260
  222    HE3  MET 848           HE3      MET 848   9.601  -6.940   0.212
  223    H    GLU 849           HN       GLU 849   7.483  -1.336  -2.388
  224    HA   GLU 849           HA       GLU 849  10.135  -0.753  -1.554
  225    H    ASP 850           HN       ASP 850  10.632   1.493  -1.771
  226    HA   ASP 850           HA       ASP 850   8.631   3.254  -1.142
  227    H    GLN 851           HN       GLN 851   9.825   2.366  -4.314
  228    HA   GLN 851           HA       GLN 851   8.626   4.243  -5.927
  229    HB2  GLN 851           HB2      GLN 851   8.714   1.343  -6.736
  230    HB3  GLN 851           HB1      GLN 851   8.938   2.782  -7.732
  231    HG2  GLN 851           HG2      GLN 851  11.005   3.278  -6.281
  232    HG3  GLN 851           HG1      GLN 851  10.843   1.630  -5.678
  233   HE21  GLN 851          HE21      GLN 851   9.791   1.863  -8.934
  234   HE22  GLN 851          HE22      GLN 851  11.209   1.292  -9.666
  235    H    ASP 852           HN       ASP 852   7.090   1.524  -4.304
  236    HA   ASP 852           HA       ASP 852   4.683   1.624  -5.852
  237    H    LEU 853           HN       LEU 853   5.252   2.584  -2.457
  238    HA   LEU 853           HA       LEU 853   2.866   3.986  -2.133
  239    HB2  LEU 853           HB2      LEU 853   5.552   4.119  -0.839
  240    HB3  LEU 853           HB1      LEU 853   4.341   5.333  -0.437
  241    HG   LEU 853           HG       LEU 853   3.024   2.796  -0.418
  242   HD11  LEU 853          HD11      LEU 853   5.143   2.607   1.639
  243   HD12  LEU 853          HD12      LEU 853   5.636   2.240  -0.018
  244   HD13  LEU 853          HD13      LEU 853   4.321   1.344   0.729
  245   HD21  LEU 853          HD21      LEU 853   3.678   4.998   1.475
  246   HD22  LEU 853          HD22      LEU 853   3.221   3.460   2.195
  247   HD23  LEU 853          HD23      LEU 853   2.121   4.270   1.084
  248    H    LEU 854           HN       LEU 854   5.961   4.953  -3.484
  249    HA   LEU 854           HA       LEU 854   5.438   7.719  -3.730
  250    HB2  LEU 854           HB2      LEU 854   7.389   5.807  -4.835
  251    HB3  LEU 854           HB1      LEU 854   7.005   7.137  -5.920
  252    HG   LEU 854           HG       LEU 854   8.925   7.628  -4.385
  253   HD11  LEU 854          HD11      LEU 854   7.301   9.372  -5.351
  254   HD12  LEU 854          HD12      LEU 854   8.271   9.865  -3.965
  255   HD13  LEU 854          HD13      LEU 854   6.581   9.424  -3.742
  256   HD21  LEU 854          HD21      LEU 854   7.022   8.039  -2.119
  257   HD22  LEU 854          HD22      LEU 854   8.729   7.605  -2.091
  258   HD23  LEU 854          HD23      LEU 854   7.517   6.380  -2.452
  259    H    GLU 855           HN       GLU 855   4.765   4.955  -5.824
  260    HA   GLU 855           HA       GLU 855   3.744   6.317  -8.044
  261    H    ILE 856           HN       ILE 856   1.930   4.870  -5.352
  262    HA   ILE 856           HA       ILE 856  -0.540   6.064  -6.016
  263    HB   ILE 856           HB       ILE 856  -0.328   5.805  -3.152
  264   HG12  ILE 856          HG11      ILE 856   0.755   3.459  -4.759
  265   HG21  ILE 856          HG21      ILE 856  -2.259   5.403  -4.886
  266   HG22  ILE 856          HG22      ILE 856  -2.183   4.432  -3.418
  267   HG23  ILE 856          HG23      ILE 856  -1.604   3.767  -4.941
  268   HD11  ILE 856          HD11      ILE 856  -0.115   3.696  -1.869
  269   HD12  ILE 856          HD12      ILE 856   0.859   2.365  -2.493
  270   HD13  ILE 856          HD13      ILE 856  -0.777   2.620  -3.098
  271    H    GLY 857           HN       GLY 857   2.268   7.218  -4.345
  272    HA2  GLY 857           HA2      GLY 857   2.838   9.515  -4.207
  273    HA3  GLY 857           HA1      GLY 857   1.128   9.925  -4.309
  274    H    ILE 858           HN       ILE 858   2.513   7.473  -2.211
  275    HA   ILE 858           HA       ILE 858   1.500   8.952   0.117
  276    HB   ILE 858           HB       ILE 858   2.622   6.200   0.352
  277   HG12  ILE 858          HG11      ILE 858   1.255   6.042  -1.693
  278   HG21  ILE 858          HG21      ILE 858   1.820   7.071   2.385
  279   HG22  ILE 858          HG22      ILE 858   0.475   6.083   1.811
  280   HG23  ILE 858          HG23      ILE 858   0.428   7.833   1.614
  281   HD11  ILE 858          HD11      ILE 858  -0.366   7.651  -1.833
  282   HD12  ILE 858          HD12      ILE 858  -0.537   7.767  -0.083
  283   HD13  ILE 858          HD13      ILE 858  -1.350   6.477  -0.965
  284    H    LEU 859           HN       LEU 859   3.185  10.488   0.195
  285    HA   LEU 859           HA       LEU 859   5.944   9.704   0.368
  286    HB2  LEU 859           HB2      LEU 859   4.854  12.357   1.276
  287    HB3  LEU 859           HB1      LEU 859   6.436  11.994   0.591
  288    HG   LEU 859           HG       LEU 859   3.859  11.645  -0.975
  289   HD11  LEU 859          HD11      LEU 859   4.298  13.787  -2.003
  290   HD12  LEU 859          HD12      LEU 859   5.750  14.006  -1.023
  291   HD13  LEU 859          HD13      LEU 859   4.160  14.007  -0.260
  292   HD21  LEU 859          HD21      LEU 859   6.808  11.754  -1.687
  293   HD22  LEU 859          HD22      LEU 859   5.520  11.850  -2.888
  294   HD23  LEU 859          HD23      LEU 859   5.702  10.398  -1.906
  295    H    ASN 860           HN       ASN 860   3.351  10.132   2.606
  296    HA   ASN 860           HA       ASN 860   4.507  10.772   4.991
  297    HB2  ASN 860           HB2      ASN 860   2.155   9.302   4.189
  298    HB3  ASN 860           HB1      ASN 860   2.881   8.554   5.608
  299   HD21  ASN 860          HD21      ASN 860   0.585  10.767   4.870
  300   HD22  ASN 860          HD22      ASN 860   0.737  11.799   6.206
  301    H    SER 861           HN       SER 861   6.547  10.146   5.476
  302    HA   SER 861           HA       SER 861   7.882   7.845   4.908
  303    HB2  SER 861           HB2      SER 861   8.354   8.882   7.636
  304    HB3  SER 861           HB1      SER 861   9.480   8.613   6.310
  305    HG   SER 861           HG       SER 861   9.205  10.621   5.712
  306    H    GLY 862           HN       GLY 862   6.000   8.405   7.866
  307    HA2  GLY 862           HA2      GLY 862   6.342   5.885   9.033
  308    HA3  GLY 862           HA1      GLY 862   4.976   6.955   9.327
  309    H    HIS 863           HN       HIS 863   3.901   7.061   6.744
  310    HA   HIS 863           HA       HIS 863   2.448   4.593   6.679
  311    HB2  HIS 863           HB2      HIS 863   2.534   6.818   4.615
  312    HB3  HIS 863           HB1      HIS 863   1.360   5.508   4.670
  313    H    ARG 864           HN       ARG 864   5.002   6.058   4.737
  314    HA   ARG 864           HA       ARG 864   5.201   4.202   2.690
  315    H    GLN 865           HN       GLN 865   7.030   4.186   5.738
  316    HA   GLN 865           HA       GLN 865   8.190   1.649   5.280
  317    HB2  GLN 865           HB2      GLN 865   8.699   1.679   7.744
  318    HB3  GLN 865           HB1      GLN 865   9.263   3.091   6.858
  319    HG2  GLN 865           HG2      GLN 865   8.235   4.225   8.554
  320    HG3  GLN 865           HG1      GLN 865   6.798   3.962   7.578
  321   HE21  GLN 865          HE21      GLN 865   5.225   3.601   9.190
  322   HE22  GLN 865          HE22      GLN 865   5.343   2.387  10.375
  323    H    ARG 866           HN       ARG 866   5.338   2.624   7.152
  324    HA   ARG 866           HA       ARG 866   4.732   0.092   8.175
  325    H    ILE 867           HN       ILE 867   3.400   1.669   5.246
  326    HA   ILE 867           HA       ILE 867   1.860  -0.480   4.383
  327    HB   ILE 867           HB       ILE 867   3.326   1.621   2.778
  328   HG12  ILE 867          HG11      ILE 867   1.402   2.135   4.511
  329   HG21  ILE 867          HG21      ILE 867   2.866  -0.245   1.290
  330   HG22  ILE 867          HG22      ILE 867   1.692   1.026   0.963
  331   HG23  ILE 867          HG23      ILE 867   1.219  -0.383   1.908
  332   HD11  ILE 867          HD11      ILE 867  -0.013   0.243   3.475
  333   HD12  ILE 867          HD12      ILE 867  -0.291   1.353   2.133
  334   HD13  ILE 867          HD13      ILE 867  -0.824   1.783   3.756
  335    H    LEU 868           HN       LEU 868   5.219   0.309   3.443
  336    HA   LEU 868           HA       LEU 868   5.696  -1.942   1.864
  337    HB2  LEU 868           HB2      LEU 868   7.256   0.173   2.936
  338    HB3  LEU 868           HB1      LEU 868   8.068  -1.329   3.369
  339    HG   LEU 868           HG       LEU 868   7.678  -2.022   0.897
  340   HD11  LEU 868          HD11      LEU 868   7.741   0.881   0.246
  341   HD12  LEU 868          HD12      LEU 868   6.189   0.218   0.755
  342   HD13  LEU 868          HD13      LEU 868   7.017  -0.459  -0.638
  343   HD21  LEU 868          HD21      LEU 868   9.565   0.284   0.946
  344   HD22  LEU 868          HD22      LEU 868   9.843  -1.389   0.468
  345   HD23  LEU 868          HD23      LEU 868   9.820  -0.955   2.173
  346    H    GLN 869           HN       GLN 869   6.435  -1.483   5.300
  347    HA   GLN 869           HA       GLN 869   7.291  -4.101   5.837
  348    HB2  GLN 869           HB2      GLN 869   6.057  -1.951   7.552
  349    HB3  GLN 869           HB1      GLN 869   6.469  -3.527   8.216
  350    HG2  GLN 869           HG2      GLN 869   8.695  -2.620   6.656
  351    HG3  GLN 869           HG1      GLN 869   8.212  -1.318   7.740
  352   HE21  GLN 869          HE21      GLN 869   9.532  -4.570   7.623
  353   HE22  GLN 869          HE22      GLN 869   9.876  -4.683   9.279
  354    H    ALA 870           HN       ALA 870   4.089  -2.622   5.970
  355    HA   ALA 870           HA       ALA 870   2.699  -4.799   7.029
  356    HB1  ALA 870           HB1      ALA 870   1.739  -2.546   6.889
  357    HB2  ALA 870           HB2      ALA 870   0.684  -3.732   6.126
  358    HB3  ALA 870           HB3      ALA 870   1.683  -2.673   5.131
  359    H    ILE 871           HN       ILE 871   3.181  -3.878   3.593
  360    HA   ILE 871           HA       ILE 871   1.816  -6.169   2.634
  361    HB   ILE 871           HB       ILE 871   2.804  -5.651   0.456
  362   HG12  ILE 871          HG11      ILE 871   4.340  -3.490   1.918
  363   HG21  ILE 871          HG21      ILE 871   1.696  -3.610   0.111
  364   HG22  ILE 871          HG22      ILE 871   2.069  -3.034   1.731
  365   HG23  ILE 871          HG23      ILE 871   0.875  -4.315   1.502
  366   HD11  ILE 871          HD11      ILE 871   3.568  -2.931  -0.387
  367   HD12  ILE 871          HD12      ILE 871   4.409  -4.359  -0.987
  368   HD13  ILE 871          HD13      ILE 871   5.322  -3.035  -0.265
  369    H    GLN 872           HN       GLN 872   5.169  -5.474   3.437
  370    HA   GLN 872           HA       GLN 872   6.359  -7.817   2.418
  371    HB2  GLN 872           HB2      GLN 872   7.062  -5.989   4.715
  372    HB3  GLN 872           HB1      GLN 872   8.026  -7.416   4.351
  373    HG2  GLN 872           HG2      GLN 872   7.724  -6.233   1.860
  374    HG3  GLN 872           HG1      GLN 872   7.888  -4.850   2.933
  375   HE21  GLN 872          HE21      GLN 872   9.443  -8.091   2.579
  376   HE22  GLN 872          HE22      GLN 872  11.016  -7.501   2.816
  377    H    LEU 873           HN       LEU 873   4.512  -7.178   5.313
  378    HA   LEU 873           HA       LEU 873   5.155  -9.709   6.541
  379    HB2  LEU 873           HB2      LEU 873   3.698  -7.279   7.294
  380    HB3  LEU 873           HB1      LEU 873   2.924  -8.755   7.860
  381    HG   LEU 873           HG       LEU 873   4.641  -7.782   9.455
  382   HD11  LEU 873          HD11      LEU 873   4.788 -10.583   8.370
  383   HD12  LEU 873          HD12      LEU 873   4.121 -10.008   9.896
  384   HD13  LEU 873          HD13      LEU 873   5.866 -10.076   9.670
  385   HD21  LEU 873          HD21      LEU 873   6.798  -8.983   7.763
  386   HD22  LEU 873          HD22      LEU 873   6.884  -7.646   8.904
  387   HD23  LEU 873          HD23      LEU 873   6.210  -7.386   7.296
  388    H    LEU 874           HN       LEU 874   2.816  -8.592   4.272
  389    HA   LEU 874           HA       LEU 874   0.736 -10.437   4.795
  390    HB2  LEU 874           HB2      LEU 874   1.574  -9.118   2.196
  391    HB3  LEU 874           HB1      LEU 874   0.097 -10.055   2.397
  392    HG   LEU 874           HG       LEU 874   0.808  -7.598   4.033
  393   HD11  LEU 874          HD11      LEU 874  -0.622  -6.335   2.664
  394   HD12  LEU 874          HD12      LEU 874  -1.392  -7.765   1.984
  395   HD13  LEU 874          HD13      LEU 874   0.246  -7.331   1.497
  396   HD21  LEU 874          HD21      LEU 874  -0.708  -8.652   5.407
  397   HD22  LEU 874          HD22      LEU 874  -1.391  -9.611   4.094
  398   HD23  LEU 874          HD23      LEU 874  -1.865  -7.927   4.295
  399    HA   PRO 875           HA       PRO 875   2.613 -14.189   3.338
  400    HB2  PRO 875           HB2      PRO 875   0.400 -15.676   2.869
  401    HB3  PRO 875           HB1      PRO 875   0.939 -15.265   4.509
  402    HG2  PRO 875           HG2      PRO 875  -1.250 -14.067   2.890
  403    HG3  PRO 875           HG1      PRO 875  -1.178 -14.404   4.628
  404    HD2  PRO 875           HD2      PRO 875  -0.781 -11.897   3.540
  405    HD3  PRO 875           HD1      PRO 875  -0.135 -12.415   5.114
  406    H    LYS 876           HN       LYS 876   2.245 -15.814   1.408
  407    HA   LYS 876           HA       LYS 876   1.732 -14.204  -1.007